Radian Corporation
8500 SHOAL CREEK BLVD. • P. O. BOX 9948 • AUSTIN, TEXAS 78757 « TELEPHONE 512/454-9535
FINAL REPORT
VOLUME II
GAP Contract No. EHSD 71-5
A THEORETICAL STUDY OF NOX
ABSORPTION USING AQUEOUS ALKALINE
AND DRY SORBENTS
CHEMICAL RESEARCH • SYSTEMS ANALYSIS • COMPUTER SCIENCE • CHEMICAL ENGINEERING
-------
Radian Radian Corporation
8500 SHOAL CREEK BLVD. • P. O. BOX 9948 • AUSTIN, TEXAS 78757 • TELEPHONE 512/454-9535
RAD-71-200-007-01
FINAL REPORT
VOLUME II
OAP Contract No. EHSD 71-5
A THEORETICAL STUDY OF NOX
ABSORPTION USING AQUEOUS ALKALINE
AND DRY SORBENTS
Presented to:
OFFICE OF AIR PROGRAMS
ENVIRONMENTAL PROTECTION AGENCY
411 West Chapel Hill Street
Durham, North Caroline 27701
31 December 1971
CHEMICAL RESEARCH • SYSTEMS ANALYSIS • COMPUTER SCIENCE • CHEMICAL ENGINEERING
-------
Radian Corporation
Technical Note
Number
200-007-02
200-007-03a
200-007-04a
200-007-06
200-007-09
200-007-11
200-007-12
200-007-14
200-007-15
200-007-16
8SOO SHOAL ClEEK ILVD. . P. O. lOX 9948 . AUSTIN, TEXAS 7"66' TELEPHONE 512 - 454-9535
LIST OF TECHNICAL NOTES
IN VOLUME II
Title
Review of the Literature on Experimental
Studies of the Aqueous Absorption of
Nitrogen Oxides
Gas Phase Equilibrium in the System
NOx - H:,P
Compilation of Thermodynamic Properties
for Compounds of Interest in Nitrogen
Oxides Aqueous Absorption Processes
High Temperature Behavior of Anhydrous
and Hydrated Nitrites and Nitrates
Material Balance Calculations for NOx
Aqueous Sorption in a Packed Tower
Selected Values for Equilibrium Constants
Used in the Aqueous Equilibrium Formulation
Vapor Film Mass Transfer Coefficients
for £NOg and HNOs in a Packed Tower
Results of Literature Search on Aqueous
Sorption of Nitrogen Oxides
Calculation of Decomposition Pressures
Over Metal Nitrates and Nitrites
Listing of Subroutines for the Gas Phase
Equilibrium Model
-------
Radian Corporation
8409 RESEARCH BLVD.
.
AUSTIN, TEXAS 78758
.
TELEPHONE 512 . 454.9535
TECHNICAL NOTE 200-007-02
REVIEW OF THE LITERATURE ON EXPERIMENTAL
STUDIES OF THE AQUEOUS ABSORPTION
OF NITROGEN OXIDES
8 January 1971
Prepared by:
Terry B. Parsons
Engineer/Scientist
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
-------
Radian Corporation
8409 REseARCH BLVD. . P.O. BOX "ilB . AUSTIN, TEXAS 78158 . TELEPHONE 512 . 4S4-953!1
Radian Corporation
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1.0
INTRODUCTION
references were selected as the most valuable for a theoretical
description. The 70 remaining references contained practical
information such as equipment descriptions and operating con-
ditions or empirical relationships between operating variables
and absorption coefficients. Many of these references were in
Russian.
From the literature search to find infor.mation for a
theoretical description of sorption processes, it was found
that much had been published concerning experimental studies
of the rate and mechanism of aqueous sorption of nitrogen
oxides. A review of the results that had been previously
reported was considered an essential first step in developing
a theoretical description. This technical note gives a summary
of part of what has been reported in the literature.
1.
The report "Systems Study of Nitrogen
Oxide Control Methods for Stationary
Sources".
Some of the 50 references of most interest were
evaluated solely on the basis of the abstract. In some cases,
the original articles were in Russian, Japanese, or Hungarian.
A translation could not be obtained in time to include the
information in this note. In other instances, the article was
not available at the University of Texas Library, through the
Inter-Library Loan System, or from independent libraries which
usually supply photocopies. In such instances, the biblio-
graphical reference includes the volume and number of the
abstract from which information was taken.
There were four sources for acquisition of pertinent
literature.
2.
NAPCA publication AP-12, Nitrogen Oxides:
An Annotated Bibliography and a computer
compilation of abstracts from the Air
Pollution Technical Information Center
(APTIC) .
3.
Chemical Abstracts from January 1947 to
October 1970.
4.
Radian technical files.
Around 120 abstracts and/or articles including four
doctoral dissertations were collected on the rate and mechanism
of absorption.
After preliminary evaluation, 50 of these
-2-
-------
Radian Corporation
IMD9 RESEARCH BlVD. . P.O. BOX 9948 . AUSTIN, TEXAS 7B1S8 . TELEPHONE 512 . 4S4-9S3S
2.0
SUMMARY OF EXPERIMENTAL STUDIES ON THE ABSORPTION
RATE AND MECHANISM
The industrial production of nitric acid involves the
absorption of nitrogen dioxide into water or nitric acid.
Efforts to design absorption processes of high efficiency have
prompted some research on factors controlling the rate of
absorption. Some research on nitrogen oxides sorption has also
been carried out with gas cleaning processes in mind. The
published results generally involve an assumption that a certain
step or process is rate controlling. Derivation of the result-
ing rate equations, construction of absorption equipment,
collection of rate data, and demonstration that the data fit
the proposed rate equation are usually described in the results.
The fact remains that an adequate theoretical description of
the process has not yet been given. It is not known under
what conditions gas or liquid film diffusion or chemical reac-
tion limits the rate of aqueous absorption. Further, the
mechanism and kinetics of the reaction between water and nitrogen
oxides have not been established.
Table I is a summary of experimental studies on the
rate of aqueous NOx absorption. Since experimental studies
have been carried out under a widely varying range of condi-
tions, an attempt has been made to present information in as
uniform a manner as possible. Table I was compiled in an
effort to simplify and summarize the extensive amount of data
and to facilitate comparison of results obtained under different
conditions.
-3-
-------
GAS CmlPOSITION
r. NO. end NO
1n 01 trogen.
Initial concen-
tration:
(gmolee/ s)
NO. 4-12xlQ-'
NO 3-gxlO'
NO. . .1-.3mole1.
NO . .07,.2mole1.
I
.j:-
I
2. NO. - NO
mixtures in N:;a.
Varying concen-
trations. Ini-
tial concen-
tration:
(grooles/cm')
NO . lxlO'"
N.O. - 0.1-Q.4
xlO .
NO tit .025moleX
N,O. - .003-.012
mole1.
3. NO,- N. Mix-
tures. Concen-
tration NO,
- 3.5-4.5 mole1..
TABLE I (cont.)
GAS COMPOSITION
3.
(continued)
4. 0.45-11.6
Vor. 1. eNo,
eNOl - NO. + 2N. O.
I
\J1
I
ABSORBING MEDIUM
10-601. Aqueous
Nitric Acid
r. 11.0
2. NaOH 101.
3. CaCl. soln.
with vapor
pressure - 751.
of that over
pure water.
r.
2.
2.7-34.a
NeOH
5.7-69.g1.
IINO,
ill!:.L.!
EXPERIMENTAL STUDIES ON THE AOUEOUS ABSORPTION OF NITROGEN OXIDES
APPARATUS AND
OPERATING CONDITIONS
Falling film tower. Sf!
long, r.25" Ld. Ges
flow rate 10-13t/min.
Add rate - 300cc/min.
Turbulent conditions
liquid agitated effi-
ciently. Maximum Rey-
nolds number - 530.
Wetted wall column,
2.3 em - Ld., height
. 18.1 em. Inter-
fadal aree - 128.2
~ 1 cm8. Gas Reynold I 8
No. - 100-600.
1. Wetted wall column
~~~d; N~:4~ ~~Oo-mO.
2. Batch absorption
vessel, stirred gas
passed through stirred
liquid. Liquid sur-
face 7r.5 cm', T-25'C.
Gas rate - 66 t/hr.
APPARATUS AND
OPERATING APPARATUS
Bubble-cap-plate column
containing one plate.
Liquid flow rates 300
and 600 cc/min., gas
slot velocities - 1.18
end 2.36 ft./sec.
The equipment was
run until steady state
flow was reached.
5. Mixture of 3 solutions:
N. and NO. con- distilled water
taining 4.8 mole1. NaOH-201.{wt.)
NO.. NaCl-241.(wt.)
ABSORBING MEDIUM
Water and 15 wt.
1. IINO,
Wetted wall column
100 em long, Ld. -
2.15 cm. Liquid flow
- 210 ml/min. Tempera-
tures from 83 to 132'F.
N. flow rate - .0775
Ib./min. The same
liquid and gas flow
rates were used for
all experiments.
QUANTITIES MEASURED
Light absorption by NO.
was measured every 30
seconds using a photocell
until the system came to
equilibrium. HNO. and
HNOa were measured after
equilibrium had been
reached. [HNO. J was the
value obteined by titra-
tion with permanganate.
NOa concentration was
determined photometri-
cally. N~ \MS added
from a constant pres-
sure burette to re-
place the volume of
gas absorbed. Photo-
cell and gas burette
readings were taken
at IS-second intervals.
Celculated CTotal . Cr
- PNOa + 2PN:;!O. + PN~03 .
Expressed rate of NO:;!
removal as
(=1:&)(fas volume )
~O, - lit nterfacial
area
The paper stated, "The NOli
disappearing from the gas
stream was calculated
from the gas flow and gas
analyses. Liquor analy-
ses showed the amount of
NO. absorbed when NaOH
was the absorbent". It
was assumed :that since
the liquid volume was
large relative to the sur-
face, the change in liquid
concentration was small
during a run. One inlet
and one outlet determina-
tion were made for the
gases.
QUANTITIES MEASURED
Liquid from the column
was collected for 10-
20 minutes at constant
flow rates. Exit
gas samples were con-
taminated with a mist
'and could not be ana-
lyzed. Liquid samples
were analyzed for HN03
by titreting with
standard NaOIi.
Liquid flow rates .were
determined by timed,
volumetric measurements.
Entering gases were
sampled once and exit
gases were sampled twice
to determine NO. Exit
liquids for distilled
water and NaCl runs were
titrated with standard
NaOH. The removal
efficiency was defined
as the percent eNOa re-
moved from the entering
gas. Removal efficien-
cy was calculated from
ges and liquid flow
rates and entering gas
analyses and exit gas
and liquid analyses.
RESULTS AND DISCUSSION
I\EFERENCF;
DE-006
The rate of NOa removal was ex~ressed
per unit area of uacid surface I. The
rate was greater at 2SoC than at 40°C.
The rate decreased with increasing acid
"concentration. The rate of NO evolu-
tion was less than 1/3 th" rete of NO.
absorption. The rate was assumed to
be limited by chemical reaction since
the diffusion limiting rete equation
showed the rate proportional to
PNO, + PN O. and this was not applicable.
The results were expressed by Rate
- K[N.O.] . K[NO, J' for acids more
dilute than 301.. With 3D-601.cBcids,
Rate - K[N.O. J - C[N.a. Jt[NOJ~.
Rate of absorption into H.O or dilute CA-014
acid proportional to PNO~ or PN.O. if
PNO was low. Rate - b[NaO.]. The rate
constant b was dependent on temperature
and gas and liquid flow rates. If- PNO
was higher, Rate D b[N O.J+C[N.o,f.
For absorption into al~aline solutions,
Rate - b[N:aO,,] when PNO was low. When
PNO was higher, the rate of removal was
much higher with alkali than with water
at the same flow conditions and tempera-
ture, The rate was then described by
Rate - b[N.O. J+ d[N,O,]. For absorption
into calcium chloride, the absorption
rate was lower than that into pure water.
The volume of the gas space had no effect
on absorption rate.
"The absorption coefficient d/x with d
the tube diameter and x the effective
film thiekness was plotted vs. the
Reynold I S number for some orthe runs
aa shown ~,n Figure 5 (CH-027).
CH-027
.-....-., -
,,,w,."".
.-,.......
.-........
- --- -
-_..~
F1GUU 6. EfI'tet ,-,r au Va:LOCITT U
A880,,"10:'O or NO, III W~~W.1oIo
Tows.
cont.
RESULTS AND DISCUSSION
REFERENCE
CH-027
From this plot it was concluded that
the absorption coefficient was propor-
tional to the Reynold I s number to the
0.8 power. The variation of absorp-
tion rate with concentration of N~,
NIO.' or the absorbing medium was not
d scussed, although data were available
to describe these variations. The
ratio of film thicknesses for evapora-
tion was plotted vs, t acid or base
in absorbing medium. A maximum et
pure water as tile absorbing medium
was interpreted to mean that the rate
was greater than in acid or alkali.
NO was found in the exit gas.
The rate was assumed to be controlled
by chemical reaction. The reaction
N;O..+ ~O ;! HNO;+ HN03 was assumed to
describe the mechanism. The overall
reaction was taken as 3/2 NgO..+ HIID
;1 2HN03+ NO and was assumed to be
irreversible under the conditions of
the experiment. The resulting rate
equation was
-dCN.O./dt - ACN.O.
The rate equation was integrated and
the data were plotted in the form of
the resulting equation with good
agreement for the predicted slope.
1f1!~006
Results are shown in the graph below.
NO wes found in the exit gas when
NaOH was the Borbent.
P E-007
"
,-
5
~.
r
A'!ISOAOtNC, "Io.UIO
O'U'(AILi(NTAL-OJStU..L(O WAn
6- .. -lQ"'NooDH ICX./O.
G- -~"""'I8o(.l ..
-.-rHtOAtTiCAL -20""N-.OM ..
.. '~"'N..CI ..
..
TtW,...:r.
FIau..... Elroci elaempe..."u.... .eat_.ll'mn.-"",
-------
I
0-
I
TABLE I
GAS COMPOSITION
~~re ~O. o~t-r.r
mole1. Concentra-
tion for most
runs Ie.. than
11.
7. NO-NO. mix-
ture with N .
eND. - 0.6~i.2,
and 4 mole],.
NO varied for
each concen-
tration of eNo.
from 0 to 8.2
molel.
8. No.-N. mis-
tures.
5-25 molel
~~t~2~~~a - .06-.2
TABLE I
(cont.)
GAS COMPOSITION
9.
3-151 NO. in
No
I
--oJ
I
10. Pure NO.-
N.O, mixture
(no carrier gas)
Pressures from
0.06 to 0.3 atm.
11. NO.-N.O,
mixture in No
(cont.)
ABSORBING MEDIUM
Demineralized
water.
Demineralized
water.
Deionized wacar.
ABSORBING MEDIUM
Degassed water
O1s ti lled ,
degassed water
Degassed de-
ionizad water
APPARATUS AND
OPERATING CONDITIONS
30 liter glass jar,
agitated liquid, gas
introduced through per-
forated disk disperser.
Bubbles released through
disk were broken up by
agitator. Liquid rate
was 1090-1100 cc/min.
Gas rate was .035-J)7 Ibl
min. Average tempera-
ture - 25'C.
Wetted wall column, 73
em long, Ld. - 2.15 em.
Wa ter flow rate - 270
ml/min. . N flow rate
- .032 IbJmin. Experi-
ments carried out at
room temperature.
Wetted wall column.
The range of gas
rates covered Reynolds
numbers from 170 to
350.
co~~;~~ ~~:: t~o:
0.03 to 0.3 sec.
Temperatures were
25 and 40'C. Columns
of different dimen-
slons were used.
APPARATUS AND
OPERATING COND1TIONS
A wetted wall column was
used with special care
taken to insure laminar
gas and liquid flow.
Height - 13.6 em, Ld.
- 3.6 em. Contact timea
of 0.2 to 0.4 seconds
were used. Temperature
was 25-35'C.
Laminar liquid jets of
I/mm diameter and con-
tact times of .005 and
.025 seconds were formed
at the tip of a thin
81a88 tube. The wacer
rate was 3 m/sec.
Stirred pot - cl~sed
system surrounded by
con.tant'tlmperature
~~~. 0 ~~'O;~~ures
QUANTITIES MEASURED
Exit liquid samples were
analyzed with NaOH for
HN03 content. Cas sam-
ples were analyzed for
NO and NO,. Results
were expressed 88 re-
moval efficiency of NO.
or the percent NO:a re-
moved from the. entering
gas.
~~ ~~ ~~le~~~~d m::~~red
gases. Exit liquid sam-
ples were analyzed for
nitrous and nitric acids.
Material balances were
made comparing NO and
eND. entering with NO,
eND.. HNo, & HNO.leaving.
~l~hi:s fo~u~~e t~~:r~:r
balance.
RESULTS AND DISCUSSION
The rate equation' developed previousl
(PE-006) was modified to include the
effects of NO. The integrated form of
the rate .equ'!tion predicted that a ploc
of results would give a series of
straight lines with negative slopes and
8 constant intercept. The data fit the
predicted form. The rate constant was
predicted and found to depend on the
gas-liquid ,contact area. Removal
efficiency (\NO. removed from entering
gas) was found to increase with gas-
liquid contact area. The applicable
rate equation was of the form
-dCeNO,/dt - KCN.O, + K'~OCNO. .
REFERENCE
PE-008
The average rate of disappearance of KO-024
eNO. is greater when NO is increased. KO-026
When NO was high, tha data did not fit
the rate equation
-dCeNO./dt - KCN.O.
A new mechanism was proposed involv-
ing the following reactions as the
rate determining steps.
N.03+ Ha0 i! 2HNO.
N.O, + RoO ;I HNO.+ HNO.
The resulting rate equation was developed.
-d(eNO. k Idt - K(NO.); + K' (NO)g(NO')8
- K"(HNO,)~
~6) el~~t~h~ ~:;;~ls~~o~~h~~~:~ (P~;s
revised to include HNO:; and was ~eck-
ed by usir.g it to calculate outlet gas
composition. Calculated values com-
pared with experimental within t 51 for
mos t cases.
Exit liquid samples were The rate of absorption was linearly
analyzed by collection proportional to the bulk gas N.O,
under NaOH and MeO:. and concentration and was independent of
titrating with H~l. Ab- gas velocity. The rate was also
sorbed nitrogen oxides independent of contact time. and
in whatever form were slightly dependent on temperature.
reported as NO.. The data were analyzed in terms of
The columns were oper- the penetration theory and used to
ated with CO. and with calculate a rate constant for the
NH3 to establish 8 gas reaction between N.O. and HgO and
film coefficient corre- an equilibrium constant for the phy-
lation. sical aolution of N.O, in water.
The effects of gas rate,
gas composition,. contact
time, and temperature on 1 NO.
the rate were studied. Absorption race waa upresaed as ~:. e:ec.
QUANTITIES MEASURED
tOa and NH3 absorptions
were conducted to verify
flow conditions..NOa was
detennined photometrically
and HNO. and HN03 were
determined from liquid
samples. A mass- balance
was set up around the
absorber. The absorp-
tion rate was expressed
in gmoles equivalent NO:;/
min. It was found that
the difference between
NO. entering and NOa
leaving was 30-607. great-
er than the absorption
rate calculated from
;il~~~ =~:l~:~;iber'~~ a
reae tion between NO. and
water in the gas phase.
Leaving liquid was
sampled and its conduc-
tivity measured to deter-
~~~~i~~~~s S~:ddle:~ate
reached. Liquid samples
were analyzed for HN0I
by acidimetric analys a
and HNO. by oxidimetric
analysis .
NO. -N. O. was added and
the pressure change
with respect to time in
a closed system with
constant temperature
bath was measured. When
pressure reached a con-
stant value, gas samples
were taken under Ha 0:.
and titrated with NaOH.
The absorbing solution
was analyzed for HNOI
by titrating with NaOH.
WE-009
RESULTS AND DISCUSSION
REFERENCE
DE-007
The absorption rate was proportional
~~o:h~n a~~~a~~l~a~~~~l t~:s;~~: ~;s
considered lower than would be the
case if diffusion were 'controlling.
In developing rate expressions the
gas phase reaction between N.D. and
water, as well as the liberation of
NO were neglected. Differential
equations were developed to describe
NO. -N.O. diffusion and N.O. dissolu-
tion and its reaction with water.
The nonlinear equations were solved
numerically and values for H IRI) were
computed where H is the solubility
of N. O. in water and K i8 the rate
of reaction of NaO. and water. It '
was concluded that gas phase resistance
would be important at higher eNO; con-
centrations but that at. lower concentra-
tions the resistance to mass transfer
shifts to the liquid phase.
Using a previously derived equation
for the rate of absorption of a
dissolving gas which reacts with
the solvent according to a first
order reaction, the quantity HIKD
was determined for the reaction
N O. + H.O. Diffusion resistance 10
tte gas phase was eliminated by using
~~~:l N~~;Nt~~;arI~e p~~~~r~io:~~. t~e-
its concentration at the gas-liquid
interface. The decomposition of HNOo
resulting from N.O. + H:fD ;! HND; + HNO. to form
NO and .N:.O. Bnd the subsequent reac-
tion of N.O. were taken into account.
The fact that some HNO. was formed by
the reaction of N.03 and water was
discussed but was not applied to the
calculations.
KR-OQ6
A rate equation baaed on the reaction
N.O, + 11,,0 ;I- HNO, + HNO. as the rate
eontrolllng step wss develop ad. Tha
measured rate was greater than the
predicted one when NO was present 80
the rate equation was modified to the
form .
Rate - K(PNo.) + K(PNO) (PNo" ) .
CH-028
-------
TABLE I (cont.)
GAS COMPOSITIOl<
12. Not .ppli-
cable
I
00
I
13. NO, in
dilute mixture..
Concentration
from 0.1 to 121;
14. Mixtures
of NO and NO,.
Concentration
not described
except [NO]/
[NO, ] > 1
IS. 1. N,O,-
NO, mixtures.
2.
TABLE I (cont.)
GAS COMPOSITION
NOCI
ABSORBING MEDIUM
W.ter
Water
Solutions of
~~HNJ:~~O. .
1. NaNO. solu-
tions.
~ill~~t:~ d~::
areated
ABSORBING MEDIUM
J
16. NO-NO, mix- Na~CO., Ca(OH).,
cures of unspeci- and CaCOo Bolu-
fied concentra- tions.
tion
17. Mixtures
of NO., N~O.
and N,O. 1n
lIitrogen.
NO. concentra-
tion was 0.4
to 13 volume 1..
I
\D
I
18. Industrial
fases cont.in-
ng NO, NO.,
and N.. 03 10 con-
centrations of
0.2S1 and
higher.
19. NO-NO.
mixtures
20. NO, -NO
mix t\lres
Water and HNO.
Alksline solu-
tion.
~aOH solutions
W.ter and
HNOo solution.
APPARATUS AND
OPERATING CONDITIONS
Liquid N.O. was 'inj ected
by needle into 8 stream
of weter flowing at high
velocity in a closed
system. Temperatures of
2 to 20'C were used.
Apparatus not described.
Gas velocity up to O.S
t/min. Ten>perat\lre 17
to 20'C.
Not described in the
abstract.
Laminar j e~ apparatus
\t atmospheric pressure.
APPARATUS AND
OPERATING CONDITIONS
Apparatus not described
in the abstract.
Cocurrent felling film
tower 17-S0 C. Gss
Reynolds numbers were
600-4000. Liquid load-
ing was 0.3-1.0 t/min.
Packed columns.. GaSGS
~~l~~M~. ~gh linear
Apparatus not described
in the abstract.
Apparatus not described
in the abstract. Gas
velocity w.s 0.3 to S.O
mIne. Tamperatures of
20 and SO' C were used.
QUANTITIES MEASURED
The temperature differ-
entials at various
points downstream from
the point of inj ection
were determined using
thermocouples.
The optical density of
a solution formed by
NO, absorbed by 61
methanol containing 3g
benzidine/ t was mea-
sured and found propor-
tional to the concentra-
tion of NO,.
Not described in tha
abstract.
In the experiments with
NOCl+the. concent!'ation 8
. of H, Cl and NOa were
determined by analysis
of the outlet liquid.
[HNO,], [It+], [NO;] and
[Cl-] wera studied as
a function of NOCI pres-
sure.
QUANTITI ES MEASURED
Experiments not described
in the abstract.
The experimental proce-
dure was not described
in the abstract.
The experiments were
not described in the
abstract.
Experimental conditions
were not described in
the abstract.
Experimental procedure
not described in the
abltr,ct.
RESULTS AND DISCUSSION
REFERENCE
MO~008
The rate of the reaction N,O.+ Ho0
was calculated and compared to values
obtained from gas absorption data.
(WE-009, KR-006). A mechanism for
the NaO. water reaction was proposed
as follows with (3) the rate determining
stap. 0. NNO. ;! 2NO, (1)
2Nu, ;! ONONO. (2)
ONONO, ;! NO+ + NO; (3)
NO+ +!DH ;! 30NOW (4 )
HONOH+ ;! It+ + HONO (S)
The resulting rate equation was
~ a -K,Kof,[N,O.]
K1 and Kg are the equilibrium constants
for (1) and (2) and f. is the forward
rate of step (3).
K ... K1 ~ f3 was measured. No check
was made on the validity of the rate
equation.
An empirical relationship was develop-
ed relating 10g[NO. ] and log C1(C1-degree
of absorption of NO;). There was a
minimum in the' plot log [NO;] vs. log Q.
at 2.SxlO-'" NO,. -
80-006
The rate of NO; absorption changes
with the equilibrium concentration of
N;O. in the gas. The rate for NIIO,
depends on its equilibrium concentra-
tion in the gas. When [NOJ/[NO,] > I,
the absorption is accelerated.
The hydrolysis mechanism WaS con-
sidered
N.O. " NO+ + NO; (1)
NO+ + Ho0 ;! H+ + UNO, (2)
The rate determining step was found
to be (1) rather than (2). The
reasons are not clearly described in
the abstract. Tho article 18 un-
available at preaent.
EL-004
MA-032
RESULTS AND DISCUSSION
REFERENCE
PE-OIO
The rates of absorption were found to
increase for sorbing solutions io the
order CaC03 J Naa C03, Ca(OH);. When
Na;C03 solutions \-.ere used Na03 was
absorbed faster than NO;. The sorbing
solution must contain at least. 4 g
NaaC03/L. The absorption rate was
lowered when the density of the sorb-
ing solution w:JS increased by large
amounts of NO; and NO;.
The rate of absorption was found to
be independent of the liquid velocity.
The resistance was caused by the
liquid phase. chemical reactions. The
driving force was determined by [N.O.]
and was independent of [HNOa J in tho
absorbing medium, the degree of oxida-
tion of the gas phase. and the counter-
diffusion of NO.
MU-004
The rate of absorption of Na03 was
~;~~~~~y i~r~h~r~~~~al ~~n i~~e c~~~en-
contained equimolar quantities of NO
and NO;. the rate was proportional
to their combined concentrations up
to O. 2S1.. If both NO, and N.O, are
present. the relative proportion of
NO increases. The absorption rate
~~~b;~u~~ ~~e v~3~ :~w;~~ R~~O;~:orp-
tion rate decreased as the tempera.
ture increased.
ZH-OOI
The completeness of the absorption
reaction reaches a maximum at a 1:1
mole ratio of NO to NO,. At this
ratio the NO + NO; concentration has
no effect an the completeness of
reaction.
MI-OOS
The rate of absorption decreased
with risinf temperature. At low
concentrot ans the rate is indepen-
dent of gas velocity but at some
concentration it begins to depend
on the velocity. \,hen [NO.] > [NO].
mostly No" is dissolved. When
[NO] > [NO,], mostly N.O. goes into
solution. The rate of absorption
of N.O, is 1.4 times as fast as the
rate of No".
ZH-002
-------
TABLE I (cont.)
GAS COMPOSITION
21. Equimolar
mixture of NO
and NO.
22. NO mixtures
in nitrogen
23. Und iluted NO
+ NO. end
pure No"
I
....
o
I
24. 801 NO.
mixtures:
1. in N.
2. in eir
;ithi~7~.NOO.
2S. NO-NO.
mixtures.
Concentra-
tion not given
in the abstract.
TABLE I (cont.)
GAS COMPOSITION
26. N oxides.
No further des-
cription given
10 abstract
27. NO, NO.
mixture.
Total concen-
tration from
0.05 to 1.41.
28. NO. snd
N. O. . N:I con-
centrsUons
given in thL
"batract.
I
....
....
I
29. NO + NO.
Total concen-
trstion 0.5
to 3.51
30 . NO mix ture..
Concentra-
tion not g1 van
in abstract.
Some NO. mus t
sleo have been
present.
31. Pure
mixtures of NO
~~~Ng, toN~b6tied
The rest was NO.
Some measure,-
ments mede with
pure NO..
ABSORBING MEDIUM
::~gO. ~o~~~~~~
Totai concentra-
tion of ell 3 .
34-61.
Solutions of
::~. ~~eCls .
(NH. ,. SO.
Water. HNOa
solutions, NeOR
solutions, NeNo.,
solutions
Water ..nd IINO.
solutions
Ca(OH). solu-
tions .
ABSORBING MEDIUM
NS;a COa solutions
contsining NeNO.
and NsNO..
Ns,CO, solutions
containing NeNO.
and NeNO..
51 IINO. solution
APPARATUS AND
OPERATING CONDITIONS
~:c~~&~a~s th:s not
abstract.
Static ges phsse, mildly
&git.ted liquid phese.
1. Gas bubbled through
liquid.
2. Surface absorp tion
with r spid movement of
gss end liquid.
3. Surface absorption
with quiet state of gas
and liquid.
A 45 mm diameter column
filled with glass rings
was used. Gas velo-
cities of 0.2 =/sec
and liquid rates of 7.2
m./m' were used.
~:c~ig:~a~s th:" not
abstract.
APPARATUS AND
OPERATING CONDITIONS
QUANTITIES MEASURED
The procedure was not
described in the
abstract.
The experimental proce-
dure was not described
in the ebstract.
The experimental proce-
dure was not described
in the ebstract.
"!be experimental proce-
dure was not described
in the abstract.
The experimental proce-
dure was not described
in the ebstract.
QUANTITIES MEASURED
RESULTS AND DISCUSSION
REPERENCE
KR-007
The rate was proportional to [N,O.].".
The absorption efficiency is sharply
reduced when [Na,CO.] < 31. Nitrite
causes. a greater reduction in efficiency
than nitrate. The author suggests it
is due to the effect on the decomposi-
tion of HNO,.
Sulfite Absorption: For [NO] < .1 bar,
the absorption rate was. K,PNO(g)kgl
m:' hr. Kl wss the mass transfer coef-
ficient.For [NO) > .1 bar, Rate.
K, (P-Pi)NO with Pi the equilibrium
pressure at the interface.
Absorption with Fe++ Salts: The driving
torce expression must take into account
the equilibrium:
K D [FeNo++]/[Fe++J[NO]
Po-014
~g\t~~, b~~~~i~~s~;~~~d ~t :b~~tN~~e end AT-002
same rate. For the mixture, when NO >
NO" the absorbate is in the form of
Na03.
~~~e~~~t ~et~~d + o~o~ar~d a~:~r~~~ ~~~~;~
tJiBi11m; .
For .the method of uiet as and li uta:
a O. pure a was a Bar e muc more
rapidly than N,O. at 2S'C. The rate of
absorption of N,O, decreased with in-
creasing concentration of NaOH or HNO,.
The rate for N,O. decreased with increas-
ing concentration of HNO,. The rate for
Na 03 increases with increasing NaOH
concentration over l25g1 t;
For mixture 1, the rate of Btbhseorpa tsoiOrbn-
was. K, PNO, and 80-901 of ab
ed oxides formed IINO..
For mixture 2, the rate at PNO, > 0.5
atm was. KPNOa.
For mixture 3, only 60-75% of the oxides
absorbed formed IINO..
TS-OOI
GA -008
An increase 1n the concentration of N
oxides gave an increase in the absorp-
tion rate. The rate decreased at
t~c~h:S~~!~~:~:t~fe~he :8 id~~~:::ed
~~:t~~o~t~~~rf~;e ~d I~~~~:~;nfn c:~l~~lon
decreased the ebsorption rate.
RESULTS AND DISCUSSION
REFERENCE
KR-008
Packed towers - 18 m high, The experimental proce-
diameter. 7 m, tempera- dure was not described:ln
ture - 2S-35'C, pres- the abstract.
sure 1.30-5 atm, gas flow
rate .2-.3 misec, liquid
flow rate 9.5 m'/ma hr.
Packing was ceramic rings.
The apparatus is called
the Penn apparatus. It
is not described further
in the abstract. Gas
flow rates of .5-3. ml
sec were used.
A rapidly revolving
mechanical absorber
was used. The gas
veloci ty corresponded
to a contact time of
2.4 sec. Temperature
was 20-22'C. The con-
di tions were highly
turbulent.
30-199 g/' A venturi scrubber
N..CO. solutions with throat diameter
. 6 mID Was used.
HNO, solutions
normality. 0.1,
0.01, and 0.001.
HCl present to
determine influ-
ence of Cl - .
normality. 0.01
to 0.04 N,#nflu-
ence of ~ . ++
~~+ Cdn als~ .
examined.
Water
The apparatus was
not described in the
abstrsct. Tempera-
ture was 30'C.
~a~~~~ar 8i:rl:~p~~a~h~
of Kramen (KR-006;
example 10). The jet
diameter was 0.87 mID and
the length was varied
between 2 and 6 em. The
The coefficient of
absorption efficiency
is defined as equilTalent
N oxides absorbed/ equi-
valent Nsa CO, used. An
absorption coefficient
is also discussed but not
defined in the abstract.
The experimental proce-
dure was not described
in the abstract.
A volumetric absorption
coefficient Kget in kg/
m3 hr. atm was deter-
mined.
The concentrations of
HNOa and HN03 were
correlated with the
,onductivity of their
solutions. The absorp-
tion rate was expressed
as the rate of forma-
tion of IINO..
The exit liquid was
analyzed for total acid
(HNO. + HNO.) by quench-
ing with a known amount
of 0.1 N NaOR end back
titrating with HCl. The
IINO. content was
The concentration of Naa CO, had no
effec t on the degree of absorption at
values higher than 30-3S g/,. The
degree of absorption decreased wi th
increasing NaNOa and NaNOs concen-
tration.
The products from sorption with NaaCO.
were NaNOs and NaNOa. It was found
that the coefficient of efficiency
a) increases with increasing liquid
flow rate and increasing initial con-
centration of N oxides, and b) de-
creases with increasing gas flow rate
and increasing NaaCOs concentration.
It was postulated that HNOs forma-
tion takes place via IINO. formation.
In testing the hypothesis, the rates
of NO, end N, O. absorption by 57.
HNOa were found to be equal.
PO-Ol5
GA-009
!'he following was found concerning
Kget:
I.. It was a maximum 'ae 501 cunver-
dion of NO to NOa.
2. It decreased with decreasing
concentration of N oxides in the
entering gas.
3. It decreased with an increase
in Ns:,CO, concentration.
The absorption rate WaS saId to be
controlled by the diffusion rate of
;mo, from the gas-liquid interface
°.0 the solution. It was found that
Cl- acce!frates the absor~tion and
Mg++, Pb ,Zn*, and~' have
negligible effect. Cd appeered to
accelerate absorption. The equili-
brium concentration of HNOa was much
greater in the system NO-HoO-HNO.-
HCl than in the system NO-H,O-HNO..
The original article is in Japsnese.
An empirical equation for the
dependence of the total acid concen-
tration on [eNO,), [eND.)., jet
length, jet diameter, and water and
gas flow rates was developed using
regression analysis. All results
were then extrapolated to a value
VA-006
01-001
HO-009
-------
TABLE I (cont.)
GAS COMPOSITION
31.
(cont.)
I
I-'
N
I
TABLE I
GAS COMPOSITION
32. NO-NO. mix-
tures 10 alr.
Concentration of
N oxides. 98-
4.11. 821 of
the NO wss oxi-
dized- to NO..
33. II1xtures
of N.O, and
IINO, in 0..
I
I-'
W
I
34 . Mixtures
containing NO
and NOa. The
NO was oxidized
from 30 to 601
The concentra-
tion of NO + NO,
varied up to
1.21.
35 . II1x ture of
0.5-3.51 NO +
NO,.
ABSORBING MEDIUM
(cont.)
ABSORBING MEDIUM
Ca(OH). solutions
concentration
range 30-l30g/ J.
Water
N...CO. solu-
tIons of '
g/J.
Na. Co. solu-
tions of 30-
198.8 g/J.
APPARATUS AND
OPERATING CONDITIONS
liquid flow rate was 100
-130 ml/min and the gas
rate was 10-40 J/hr.
Experiments were ther-
mostated at 25.C.
APPARATUS AND
OPERATING CONDITIONS
QUANTITIES MEASURED
determined separately by
oxidation with KMnO, and
with spectrophotometry.
QUANTITIES MEASURED
RESULTS AND DISCUSSION
REFERENCE
of gas flow of 40 t/hr and water rate HO-009
of 100 ml/min. Since the gas contained
00 diluent gas, diffusion resistance
was considered negligible and the rate was
was considered determined by the two reactions:
N.O, + H.O ;I lINe. + IINO. (1)
N.O. + HoO ;I 211N0. (2)
Based 00 the stoichiometry of these
reactions, t1.te time rate of change
of Na03 and NaO. were expressed in
terms of the concentrations of HNOa
and IINO.. The results are glven in the)
following figure.
'10
,co
!
!
!W
"
IIIIII
Abb.4
;-.rub UC'JLIiOIi (11 und Itu"tion (2) ,.:bildl'cc S~lr.:t\:nlllft
vnd ulp.:uicc S:iun: ill Abhill~i[:,ldl von drr GJ,ruulnlJldo
knurlS. Vtt"",ribtil dn Sluhl, ,. 1,436.10' '"
It can be seen that the rate ot: change
of N;a03 according to reaction 2 i8
greatest et 50'7. NO. and 50'7. NO.
An equation derived previously and
used by Kremers (KR-006) was used to
obtain a rate constant for reaction
2. The equation is based on the pene-
tration theory. According to the equa-
tion, tha rate should be proportional
to the concentration of N. O. in the bulk
gas. There was e deviation from linearity.
The authors steted also that another
posaible mechanism is the gas phase forma-
tion and subsequent diffusion of lINe..
RESULTS AND DISCUSSION
REFERENCE
GA-OlO
A horizontal absorber Entering and exit gases
containing an axial shaft were analyzed for NO and
to which discs were NO; and the absorbing
attached was used. The liquid was analyzed for
discs were perforated nitrite and nitrate.
and formed blades and The absorption coef-
were rotated at high ficient Kg depended on
speeds to produce high the concentration of NO
~as and liquid turbulence. and NO; in the gas, the
,..ountercurrent flow was volume rate of gas flow,
used. The gas had to be the speed of rotation of
separated from entrained the discs, the tempera-
mist after it left the ture. and the Ca(OH).
absorber. Gas velocity concentration. Kg was
was 400 m' gas/m3 ab- expressed in leg 1m3 Ihr/
sorber/hr. The tempera- atm.
ture was 30°C.
A bubble-cap column in
an autoclave: was used.
The temperacure and
pressure were varied
up to 90.C and 50 atm.
A column .iith a centri-
'ugal sprayer Was used.
.he liquid rate was 2.2
-6.m3/tIi' hr and the gas
rate was 167 m3 1m3 hr.
The temperature was 10..
40°C and the spray velo-
city was 23 m/sec.
t turbul{!nt gas scrubber
venturi) was used. The
gas feed rate was 32-
132 t/min the gss velo-
city was 18-78 m/sec end
the liquid rate relative
to the 88S rate was .68
-4.13 J/m3.
The measurements were
not described in the
abstract.
The measurements were
not described in the
abstract. The degree
of absorption J a., and
the coefficient of
absorption Kg were
calculated from the
data.
Inlet and outlet NO end
NO; were determined in
the gas and the volu-
metric absorption coef...
ficient K, e was express-
ed in Kg moles of N./
m3/hr/atm. The degree
of ebsorption was also
calculated.
The rate of absorption was dependent
on the concentration of nitrogen oxides
at low peripheral disc speeds. At
higher speeds, the absorption rates
became equal for high and low initial
concentrations. The rates of absorp-
tion for gases of equal concentra-
tions containing (1) NO. and (2) NO.
+ NO in equimolar proportions were
only slightly different in the mechan-
ical absorb,er, The percent of nitrogen
oxides removed from the gas stream by
the mechanical absorber was reported
to be higher then in commercial packed
towers.
Empirical relationships between the
rate con~tant for disappearance of
NO; and temperature or pressure were
developed. It was found that the
rate of disappearance of NO; was
K(NO, P (HoD]. The proposed mechanism
inVOlved the following steps.
2ND. (g) ~ N.O, (t) (1)
N.O, (t) ~ 2No,,(t) (2)
2ND, (t)+ HoD ~ HNo" + IINO. (3)
Step 3 was proposed as rate controlling.
AT -003
When 38-40'7. of the NO WaS oxidized
to N02 J the degree of absorption and
the absorption coefficient increased
as the concentration NO + NO; in the
gas.. With increasing temper..ture a.
and Kg decreased.
GA-Oll
An empirical relationship was found
for the dependence of 1<0 a on gas
velocity, liquid rate. nitrogen oxide
concentration, sodium carbonate con...
centration end degree of oddation of
NO. The highest velue of the absorp-
tion coefficient was at 501 oxidation.
VA-009
-------
TABLE 1
GAS COMPOSITION
36.
Pure NO
37. NO in
nitrogen in the
range 0.7-381
I
t-'
.p-
I
38. Nitr.c
oxide; 1'1:
in nitrogen.
39. Three
series of
experiments
were conducted
in. which -the
concentrations
of NO + NO.
were:
1. 0.25-0.51
2. 0.9-1.01
3. 2.0-2.51
65'1: of the N
oxides were
oxidized to NO.
TABLE I
GAS COMPOSITION
40. Two series
of experiments
were conduc ted
with a mixture
of NO+NO, in ni-
trogen in the
following con-
centrations:
1.
2.
0.5-0.7'1:
1.0-1.3'1:
~!d:~f~~e off
NO to NO. wes
varied from 30
to 70'1:.
I
t-'
VI
I
(cont.)
ABSORBING MEDIUM
Peso. and PeCl.
solutions, .25-
.62 M in FeSO..
PeSO. solutions
from 5.6 to
20.51.
201 PeSO. solu.
tions.
APPARATUS AND
OPERATING CONDITIONS
QUANTITIES MEASURED
RESULTS AND DISCUSSION
The apparatus was not The procedure was not Absorption 18 reported to take place
described in the abstract. described in the abstract. by fonnation of the complex [PeNO)--.
The pressure of NO was aq
varied up to 1 arm and The results were expressed in terms
the t~erature from 0 of an equilibrium constant
to 50.C. K. V P
~ NO
where V is ~e li ters of NO absorbed
per mole Fe . The resul ts were
independertt of the concentration of
FeCI, .
The absorption rate 'Was linearly
proportional to the concentration of
NO in the gss up to 8'1:. At concen-
trations hi!\her. the chemical cspacity
of the sorhent must be taken into
account. The high solubility of NO in
the range. 7 to 8.7. was proposed as the
reason for the negligible liquid film
resistance in that range. It was con-
cluded that the rate of the absorption
reaction process is limited by diffusion
kinetics and that liquid film diffusion
was negligible up to concentrations of
8-12%.
A stirred pot reactor
was used. Gas was
passed over the surface
of a stirred liquid at
0.2 '/ndn. Liquid sur-
face was 50.05 cm'.
Temperature was 20.C.
A packed column 510 mm
high and 27.8 mm Ld.
Aas used. The tempera-
ture was 20°C. Gas
'elocity was 0.09-1.
on/sec.
The absorbing A mechanical absorber
medium was a similar to that des-
solution of ca!- cribed in example 32
cium oxida of wss used. The gas
3-5 and 30-35 g/, rate was 400 mO gas/
The original ni- mOhr. The peripheral
trite nitrate disc speed was 23 m/
content was var- sec and the tempera-
ied from 50-450 rure was 65-75.C.
g/"
(cont.)
ABSORBING MEDIUM
The absorbing
medium was a
solution of CaO
containing 4-6
g/' and 200-250
g/' calcium ni-
trate + nitrite.
APPARATUS AND
OPERATING CONDITIONS
The apparatus described
in example 39 was used.
The ~as rate was 300-320
m3/m hr. the peripheral
disc speed was 23 m/sec
and the temperature was
30-35°C.
The concentration of
NO in the inlet and
exi t gas was measured.
An absorption rate
and an absorption coef-
ficient were calculated
in the units kg/m.hr
and kg/m'hr atm.
The entering and exit
concentrations of NO
in the gas were meas-
ured. The absorption
coefficient Ko was
calculated from
Rate a Kg
-------
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3.0
DISCUSSION OF RESULTS
of the rate measurements (DE-007, WE-009) and reports a value
obtained from his own research.
3.1
Absorption with Gases Containing NO~- N~O~
The work in Table I, numbers 3-6, 8-13, 15, 24, 26 and
33 is based on the absorption of gases initially containing
only NOa in a range of concentrations from 0.1 to 25%. Some
work was also done (numbers 10 and 23) with gases consisting of
undiluted NOa-Na04' Absorbents used were water and solutions of
NaOH, HN03,.NaCl, and NaN03. Chambers and Sherwood (CH-027,
Table I, number 3) concluded the rate of absorption was diffusion
controlled based on a plot of tube diameter/effective film
thickness ~. Reynold's number.
Carberry (CA-015) reviewed most of the NOa-Na04 work.
The equilibrium reaction
3NOa+ Ha°
~
2HN03+ NO
(1)
where
K
a
PNO aHNO
.~
PNOa aHa 0
had been considered a valid description of the NOa-Na04
absorption process. Data were usually plotted in the form
It has been pointed out (CA-014 and DE-006) that the
rate equation for diffusion controlling shows the rate propor-
tional to the sum of the concentrations of NOg and Na04'
Peters and coworkers (PE-006, 7, 8, and CH-028, Table I, numbers
4, 5, 6, and 11) on the other hand used a variety of equipment
types and showed the absorption rate linearly proportional to
the concentration of Na04 or the square of the concentration of
NOa. They also demonstrated that even when no NO is added in
the inlet gas, its presence must be taken into account in the
rate equation due to the decomposition of HNOa in acid sorbents.
Wendel and Pigford (WE-009) and Dekker and coworkers (DE-007)
also found the rate proportional to the concentration of
Na04 in the gas.
PNO
loglo PNO
a
vs.
%(wt.) HN03
~arberry plotted the data in the form loglo PNO/P~.~ and
II 4
found the rate constan~ to be independent of temperature.
3.2
Absorption with Gases Containing NO
Except for the work of Chambers and Sherwood (CH-027)
there is general agreement that chemical reaction between NOa-
Na04 and water is rate controlling. Several mechanisms for the
reaction have been proposed and the rate of the reaction has
been measured. Moll (MO-008) gives a good summary and discussion
Table I numbers 22, 36, 37, and 38 are concerned with the
absorption of pure nitric oxide or nitric oxide diluted with
inert carrier gas. Absorbents used were NaaS03' (NH4)a, S03
FeCla, and FeS04. Pozin (PO-014, number 22) found that absorp-
tion rate for sulfites as the absorbent depended on the con-
centration of NO in bulk gas and at the gas-liquid interface.
For Fe++ salts as the absorbent, the complex [FeNO]++ was formed.
Sirotkin and coworkers (SI-007, number 36) also used FeS04.
The abstract of the original article reported that the complex
[FeNO]-- was formed. Since the article was a translation, it is
aq
quite possible that an error was made. Ganz (Ga-012, numbers 37
-16-
-17-
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and 38) also investigated absorption using FeS04' He used a
stirred pot reactor and found the absorption rate was limited
by gas film diffusion.
3.2
Absorption with Gases Containing NO and NO~
There was general agreement (VA-009, number 35; VA-006,
number 29; MI-005, number 19) that the absorption rate was a
maximum at a 1:1 mole ratio of NO; to NO or at 50% oxidation of
NO. These results are well expressed graphically by Hofmeister
and Koh1haas (HO-009, number 31).
Numbers 1, 2, 7, 14, 16-21, 23-25, 27-29, 31, 32, 34,
and 35 discuss absorption of gases initially containing both
NO and NO; with the total concentration varying from .5 to
100%. Absorbents used were water and solutions of HNOa, NaOH,
CaC1;, NaOH + Na;COa+ NaHCOa, Na;COa, NaNOa, Ca(OHg), CaCOa,
and Na;COa + NaNO; + NaN03. There was wide agreement (PE-010,
number 16; KR-007, number 21; MU-004, number 17; GA-008, number
25; KR-008, number 26) that the presence of nitrate and nitrites
in the absorbent reduces the rate of absorption. Perelman (PE-
010) reported the rate to increase for sorbents in the order
CaCOa, NaaCOa, Ca(OH);. Atroshchenko (AT-002, number 23) and
Caudle and Denbigh (CA-014, number 2) reported the rate of
absorption was faster in water than in HNOa or CaC1; solutions,
respectively. The effect of the presence or concentration of
Na;COa in the sorbing solution was investigated by several
workers (VA-006, number 29; PO-015, number 27; and KR-008,
number 26). Krustev (KR-008) reported that the presence of Na;C03
had no effect above a lower limiting concentration. Var1amov
(VA-006) stated that the absorption coefficient decreased with
increasing Na;COa concentration. Pozin (PO-015) defined an
efficiency coefficient as
Most workers agreed that the absorption. rate was
proportional to the concentration of N;Oa or the product of
NO and NO; concentrations (KR-007, number 21; ZH-001, number
18; EL-004, number 14; KO-026, number 26). Perelman (PE-010,
number 16) and Zhavoronkov (ZH-002, number 20) and several
other workers have stated that the rate of N;03 absorption is
greater than the rate of N;04 absorption. Atroshchenko (AT-002,
number 23) found that the relative rates depended on the
experimental apparatus. His results are discussed in more
detail in Table I, number 23. Ganz (GA-009, GA-010) found the
rates to be about equal in his apparatus (see numbers 28 and 32
and the following discussion).
equivalent oxides absorbed
equivalent Na;COa used
Koval (KO-024, KO-026, number 7) performed an extensive
investigation on the effect of adding nitric oxide on the absorp-
tion of NOa+ Na04 by water. His work seems to have been performed
with great care and the mechanism he proposed explained some
results found by previous workers. Although he did not measure
the rates predicted by the rate equations resulting from his
mechanism, he made a material balance and demonstrated that the
stoichiometry resulting from his mechanism agreed with the
actual stoichiometry. Some of the most significant observations
in Koval's work are as follows:
and. stated that the coefficient decreased with increasing
Na;COa concentration.
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1. That the absorption rate
liquid contact area was demonstrated
in a variety of equipment types with
is a function of the gas-
by conducting experiments
other factors held constant.
is faster than the first is that both proceed by ionization
mechanisms:
N,.°3
~
NO+ + NO;
(4)
2. In absorption experiments, the concentration of
components NO, NO,., N,.03' N,.O~, HNO,., and HNOs must be monitored.
Early investigators assumed that the concentration of HNO,. was
negligible but Koval demonstrated its importance even when nitric
oxide was not added in the inlet gas.
N:aO~
~
NO+ + NO;
(5 )
Koval speculated that the ionization of N,.Os is faster than that
of N,.O~ since N,.O~ ionization to form NO+ and NO; involves
isomerization from 0aNNO,. to ONONO,..
3. Analytical techniques are important in the NOx-H,.O
system. For instance, many investigators titrated the liquid
absorption products directly with NaOH. Koval showed that
decomposition of HNO,. between the time of sampling and the
analysis time could result in values for total acid from 4 to
20% too low. In addition, the titration curve for titration
of nitrous acid with sodium hydroxide is not sharp since HNO,.
is always decomposing and the pH changes with time.
Varlamov and Drobysheva (VA-009, number 35) tried to
determine the relative effects of mass transfer and chemical
reaction on the absorption of NO-NO,. mixtures in a venturi
scrubber. They used equation 6
1
Kca
1 + 1
K;a ~HkLa
(6)
N,.O~ (t)+ H,.O(t)
~
HNO"(t)+ HNOS(t)
(2) .
to calculate ~H where Kca is the overall absorption coefficient,
kG a is the gas phase mass transfer coefficient and kLa is the
liquid-phase mass transfer coefficient. The factor 8 is the
coefficient representing the effect of chemical reaction and
H is the Henry's Law coefficient. The mass transfer coefficients
for NO + NO,. were calculated by determining the coefficients for
CO,. in water (sparingly soluble gas, liquid phase resistance
rate limiting) and SO,. in water (highly soluble gas, resistance
of gas and liquid phases comparable) and correcting for the
differences in diffusion rates, viscosities, and densities of
COa, SO,., and NO + NO,.. It was concluded that "the boundary
of chemical interaction between reacting components moves toward
the liquid surface" with increasing liquid flow rate, and that
"the rate is influenced by both diffusion of the active component
in the gas and diffusion of the active component and the reaction
product in the liquid".
4. When NO and NO,. are both present in the inlet gas,
the reactions suggested by Koval to be of importance are as
follows.
NgOs (t)+ H,.O(t)
~
2HNO,. (t)
(3)
Reaction 3 is faster than reaction 2 but whether it is in
equilibrium is not known. The equilibrium for the second
reaction in the gas phase is well described but in the
aqueous phase it has not been studied extensively. An
explanation (KO-026) for the fact that the second reaction
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Ganz and coworkers (GA-013, GA-014) investigated the
absorption of mixtures of NO and NOa by solutions of CaO
containing calcium nitrate and calcium nitrite. The equipment
used was a horizontal mechanical absorber containing a revolving
axial shaft to which were connected blades or discs causing highly
turbulent flow conditions. Most of the work of Ganz is generally
concerned with developing empirical relationships between the
absorption coefficient and hydrodynamic or physical factors with
little regard for theory and mechanism. However, in the case
of the mechanical absorber, discussion of a possible reaction
pathway was presented. The influence of the NOa :NO ratio in
the gas and the concentration of nitrate, nitrite and CaO in
the absorbing medium were investigated (see Table I, numbers 39
and 40). Some of the qualitative results are summarized in
points 1 through 4.
CaO rather than
of the nitrite,
oxidized to NOa
an excess of Ca(NOa)a. When there is an excess
reaction 7 takes place and NO is given off or
thus limiting the percent absorption.
Ca(NOa )a+ 2NOa
i!
Ca(N03);+ 2NO
(7)
It is proposed that in the presence of excess CaO, reaction 7
is restricted and the decrease in percent absorption is retarded.
3. It was proposed that in the mechanical absorber,
reaction takes place simultaneously via NOa and Na03 and that
the rates of the two reactions are equal. The proposition is
based on several observed facts.
a.
The content of NO in the exit gas was always
greater than NO;, even when the entering gas
ratio NOa :NO was ~ 1.
1. Depending on the concentrations of calcium oxide,
calcium nitrite and calcium nitrate, formation and precipitation
of the basic salt Ca(0H;)a. Ca(N03)a. 2HaO occurs. Gorfunke1
(GO-007) also reports the possibility of formation of
CaO . Ca(N03);. 2H;O.
b.
If only N;03 absorption were taking place,
the products would be totally nitrite.
However, more nitrate than nitrite is
formed.
2. When the nitrite-nitrate concentration in the
absorbing liquor is small the presence or concentration of
calcium oxide has no effect on the percent of nitrogen oxides
absorbed. When the concentration of nitrite + nitrate is
higher, an increase in its concentration causes a decrease in
the percent of NO + NOa removed from the gas. An increase in
the CaO concentration then retards the decrease in absorption.
Ganz explained this effect by stating that in the mechanical
absorber, calcium oxide is dissolved faster than Ca(OH)a can
react to fOrlli nitrites and nitrates so there is an excess of
4. It was proposed that in the mechanical absorber,
nitrogen oxides are almost completely oxidized to NO; and the
rate of NOa absorption becomes equal to the rate of Na03
absorption resulting in the formation of equimo1ar amounts of
nitrite and nitrate. The nitrite undergoes inversion accord-
ing to reaction 7 and NO is liberated and oxidized in the
liquid.
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Andrew and Hanson (AN-DOl) also discussed absorption for
the case of both NO and NOa present in the inlet gas. The authors
stated that the mechanism of absorption is dependent on the
relative concentrations of NO and NOa. They described four
possible absorption mechanisms and developed rate equations for
a laboratory sieve plate for each mechanism. The rate equations
were expressed in terms of the plate efficiency ~ defined as
In Figure 1, ~fh' for example, refers to the plate efficiency
due to mechanism fh. The mechanisms corresponding to the
alphabetic designations in Figure 1 are as follows.
Alphabetic
Designation
in Figure 1
fh
chemical NO~ absorbed
chem1cal NOa enter1ng
Chemical NOa meant NOa+ 2Na04+ Na03+ ~HNOa. Figure 1, taken
directly from Andrew and Hanson (AN-DOl) shows the plate
efficiencies predicted from the rate equations for each mechanism.
Some physical constants had to be estimated to obtain Figure 1.
e
cd
100"1.
100'7.
ik
~
.
T - 10 SEC.
G. 10 CM/S£C.
25°C
~ I~.
...
G
;;:
tJ
~
Mechanism
Diffusion across the gas and
Na04' Subsequent hydrolysis
decomposes to Na03' Na03(g)
liquid films as NOa and
of Na04 to HNOa, which
or HNOa(g) given off.
Diffusion as NOa, dimerization in solution, and
hydrolysis of Na04' HNOa(g) given off.
Diffusion as HNOa(g)- Na03(g) equilibrium mixture.
HNOa decomposition in aqueous phase. NO given off.
Gas phase formation of HN03 and HNOa. HN03 both
dissolves in mist and diffuses into aqueous phase.
HNOa(g) decomposes.
Figure 2, also from Andrew and Hanson (AN-DOl), shows
measured total plate efficiencies and shows the numerical
agreement between predicted and measured values of total ~.
The values obtained experimentally are indicated by 0 and X,
while the predicted values are indicated by the lines.
."1,
O. I 10
CHEMICAL NO, CONCENTRATION (GMMOL/Co.?.IO')
FIG. 6. Predicted component and total plate efficiencies.
FIGURE
1
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100 "10
100'.
2S"c
~
...
~
"".
U .
j;: .
::.
10,,"
1"10
001
. 01 I J%
[N02~ O£MJCA~ N02CONCENTRATION (GMMO./CM'x Kf> )
Fro, 7. A camparison of measured wilb predicted plate efficiencies.
FIGURE 2
From Figure 1, one can determine the controlling mechanism
for this model at different gas concentrations with the relative
proportions of NO and NO; constant. Figure 1 shows that at low
gas strengths, mechanisms e and cd (diffusion as NO; and HNOa-Na03)
are important while at higher strengths, mechanism fh (diffusion
as N;04- NOa) is most important. The point was also made that
as the proportion of NO increases, mechanism cd involving Na03-HNOa
becomes more important than mechanism e involving NOa. The con-
tribution of mechanism ik is never important. The mechanisms
operable at different gas concencrations are shown in Table II.
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TABLE
II
MECHANISM OF ABSORPTION AT VARYING
GAS CONCENTRATIONS
GAS CONCENTRATION
MECHANISM
> .01 mo1e%
Na04 diffusion and hydrolysis
mechanism depends on NO/NOa ratio
< .01 mo1e%
< .01 mo1e% (NO/NOa < .5)
< .01 mo1e% (NO/NOa > 5)
liquid film limited solution of NOa
absorption and liquid phase decom-
position of HNOa
< .01 mo1e% (5.0 > NO/NOg > 0.5
more than one mechanism is of
importance
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BIBLIOGRAPHY
Andrew, S. P. S., and D. Hanson, "The Dynamics of
Nitrous Gas Absorption," Chem. En,;. ScL, 14, p. 105
(1961).
Atroshchenko, V. I., "Absorption of Nitrogen Oxides
by Alkaline Solutions and the Influence of the State
of the Gas and Liquid Phases," Ukrain. Khim. Zhur.,
g, 442-59 (1937).; f..A., 32 :20078.
Atroschenko, V. I., and V. T. Efimov, "Kinetics of
the Reaction of Liquid Dinitrogen Tetroxide with Nitric
Acid," Ukrain. Khim. Zhur., 23, 675-83 (1957); f..A. ,g:7826h.
Borok, M. T., "Degree of Absorption of Nitrogen Dioxide
by Water as a Function of the Gas Concentration,"
Zhur. Prik1. Khim., 33, 1761-6 (1960); f..A., 54 :23620c.
Caudle, P. G., and K. G. Denbigh, "Kinetics of the
Absorption of Nitrogen Peroxide into Water and Aqueous
Solutions," Trans. Far. Soc., 49, 39-52 (1953);
f..A., 47 :7870b
Carberry, J. J., Chem. En,;. ScL, 2"
189-94, (1959.).
Chambers, F. S., T. K. Sherwood, "Absorption of
Dioxide by Aqueous Solutions," Ind. Eng. Chem.,
pp. 1415-22 (1937).
Nitrogen
29, (12),
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DE-007
E'L-004
GA-008
GA-009
GA-010
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Chen, J. W., "Nitrogen Dioxide and Dinitrogen Tetroxide
Simultaneous Reactions with Water," Doctoral Dissertation,
Univ. of Illinois (Urbana), (1959).
Denbigh, K. G., and A. J.
Gas Absorption in Aqueous
pp. 790-801, (1947).
Prince, "Kinetics of Nitrous
Nitric Acid," ~. Chem. Soc.,
Dekker, W. A., E. Snoeck, and H. Kramers, "The Rate
of Absorption of NOa in Water," Chem. Eng. ScL, 11,
61-71 (1959).
Elenkov, D., and Iv. Krustev, "Kinetics and Mechanism
of the Absorption of Nitrogen Oxides in Alkaline Solu-
tions," Izv. Otd. Khim. Nauki, Bulg. Akad. Nauk, 1969,
2(4), 771-80; f..A., Zl:70266x.
Ganz, S. N., et a1., "Absorption of Nitrogen Oxides
with Milk of Lime in Mechanical Absorbers," Izv.
Vysshikh Uchebn. Zavedenii, Khim. i Khim. Tekhnol., i,
(1), 155-9, (1962); f..A., R:3245e.
Ganz, S. N., "Kinetics of Nitric Acid Formation in
Rapidly Revolving Mechanical Absorbers," Zhur. Prikl.
Khim., 1037-48 (1955); f..A., 50:4597f.
Ganz, S. N., and S. B. Kravchinskaya, "Rate of Absorption
of Nitrogen Oxides by Ca(OH)a Solutions in Mechanical
Absorbers with High R.P .M.:' ~. Ae£!.. Chem. (USSR),
28, 133-41 (1955).
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'-
I
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Ganz, S. N., and 1. E. Kuznetsov, "Alkali Absorption
of Nitrogen Oxides in a Column Provided with a Centri-
fugal Sprayer," Zh. Prikl. Khim., 36 (8), 1693-7 (1963);
f.!., 60 :7694h.
KO-024
KO-026
Ganz, S. N., and L. 1. Mamon, "Kinetics of Film
Absorption of Nitric Oxide by Ferrous Sulfate," ~.
~. Chem. (USSR), 30, 391-9 (1957).
KR-006
Ganz, S. N., "Effect of Hydrodynamic Condition on the
Rat~ of Absorption of Nitrogen Oxides by Solutions
of Calcium Hydroxide in a Mechanical Absorber on a
Semip1ant Scale, I," ~. ~. Chern. (USSR), 30, 1383-
91 (1957).
KR-007
Ganz, S. N., and M. A. Lokshin, "Influence of Funda-
mental Physicochemical Factors on the Absorption Rate
of Nitrogen Oxides in Ca(OH)g Solution in High-Speed
Mechanical Absorbers," ~. ~. Chem. (USSR), 30,
1592-1600 (1957).
KR-008
MA-032
Gorfunke1, V. E., and Ya. 1. Kil'man, "Preparation of
Solutions of Calcium Nitrite-Nitrate by Absorption of
Nitrogen Oxides from Nitrose Gas Tailing with Milk
of Lime, II," Referat. . Zhur., Khim., 1958, Abstract No.
1875; f.h.., g:12599g.
MI-005
Hofmeister, H. K. and R. Koh1haas, "Absorption of NO-
NO:;! Mixtures by a Laminar Water Jet," Ber. Bunsenges.
Physik. Chem., 69 (3) 232-8 (1965).
MO-008
-30-
Koval, E. J., and M. S. Peters, "How does NO Effect
Reactions of Aqueous NOli?'" 1.&E.C., 52,1011-14 (1960).
Koval, E. J., "Influence of Nitric Oxide on Aqueous
Nitrogen Dioxide Reactions," Doctoral Dissertation,
Univ. of Illinois (Urbana) (1958).
Kramers, H., M. P. Blind, and E. Snoeck, "Absorption
of Nitrogen Tetroxide by Water Jets," Chem. Eng, Sci.,
14,115 (1961).
Krustev, Iv" "Absorption of Nitrogen Oxides by Solutions
Containing Sodium Carbonate, Sodium Nitrit~ and Sodium
Nitrate," Izv. Otd. Khim. Nauki, Bu1g. Akad. Nauk, 1968,
1(1), 109-23; f.!., 70:107834x.
Krustev, Iv., "Absorption of Nitrogen Oxides by Sodium
Carbonate Solutions Under Industrial Conditions,"
Khim. Ind. (Sofia), 1968 (4), 147-51; f.~., 69:78766y.
Marrucci, G., "The Hydrolysis Reaction of N:;!O","
Rend. Accad. Sci. Fis. Mat., 32, 233-42 (1965);
----- -
f.!., 66:108766f.
Mirev, D., et a1., "Absorption of Nitrogen Oxides
Vibrating Layers of NaOH Solutions," Compt. Rend.
Bu1gare Sci., 14, 259-62 (1961); f.!., ~:66b.
by
Acad.
Moll, Albert James, "The Rate of Hydrolysis of Nitrogen
Tetroxide," Dissertation, Univ. of Washington (Chemical
Engineering), 1966.
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Mucskai, L., "Absorption Kinetics of Nitrogen Oxides,
II," ~. Kem. Folyoirat, 1£(8), 350-4, (1966);
.£.!., 65:l4875g.
PO-015
Oishi, Yasumichi, "Absorption
by Nitric Acid under Bubbling
Soc. Japan, Ind. Chem. Sect.,
50:l5l85c.
Velocity of Nitric Oxide
Conditions," ;[. Chem.
59, 5-8 (1956); .£.!.,
51-007
Peters, M.S., C. P. Ross, and J. E. Klein, "Controlling
Mechanism in the Aqueous Absorption of Nitrogen Oxides.,"
A.I.Ch.E. Journal, Vol. 1(1), pp. 105-11 (1955).
TS-OOl
Peters, M.S., and J. L. Holman,
Phase Reactions between Nitrogen
I&EC, 47(12), 2536-9 (1955).
"Vapor- and Liquid-
Dioxide and Water," .
VA-006
Peters, M.
Absorption
(1959) .
5., and E. J. Koval, "Nitrogen Oxide
in an Agitated Reactor, I&EC, 51, 577-80
VA-009
Perelman, 5., and L. Kantorovich, "The Alkaline
Absorption of Nitrogen Oxides," ~. Chem. Ind. (USSR),
17,(6), 3-9 (1940); .£.!., 34:75501.
WE-009
Pozin, M. E., et a1., "Velocity and Mechanism of Absorp-
tion of Nitric Oxide by Aqueous Salt Solutions," Izv.
Vysshikh Uchebn. Zavedenii, Khim. ~ Khim. Tekhnol., 6
(6) 974-81 (1963); .£.!., £l:152ge. -
ZH-OOl
ZH-002
-32-
Pozin, M. E., et al., "The Absorption of Nitrogen
Oxides in Soda Solutions in the Penn Apparatus for the
Production of Sodium Nitrate," Trudy Leningrad. Teknol.
Inst. im. Lensoveta, 36, 120-32 (1956); .£.!., ~:14l06e.
Sirotkin, G.
Nitric Oxide
Zhur. Prikl.
V. Starostin, "Absorption of
Solutions of Ferrous Salts,"
1141-4 (1954); .£.!., 49:793li.
D., and V.
by Aqueous
Khim., y...,
Tseitlin, A. N., and Yu. V. Lender, "Absorption of
Nitrogen Oxides of High Concentration by Water," Zh.
Prik1. Khim., 38 (4), 761-5 (1965); .£.!., 63 :1503b.
Varlamov, M. L., and O. M. Drobysheva, "Absorption of
Nitrogen Oxides in Low Concentrations by Sodium Carbonate
Solutions in an Apparatus of the Venturi-Tube Type,"
Izvest. Vysshikh Ucheb. Zavedenii Khim. .!. Khim. Tekhnol.,
l(l), 146-50 (1960); .£.!., 54:2l89li.
Varlamov, M. L., and O. M. Drobysheva, "Mass Transfer
and Chemical Reaction in a Venturi Scrubber," Zhur
Priklad. Khim., 33, 2020-9 (1960); '£.!.,2i:17ll9i.
Wendel J M., and R. L. Pigford, "Kinetics of Nitrogen
Tetroxide Absorption in Water," A. loCh. E. Journal, ~,
249-56 (1958).
Zhavoronkov, N. M., et al., "The Study of Absorption
of Nitrogen Oxides by Alkaline Solutions in Columns
with Filler Bodies," Khim. Prom., 1954, 419-23; .£.~.,
49:5078e.
Zhavoronkov, N. M. and Yu. M. Martynov, "The Kinetics
of the Absorption of Nitrogen Oxides by Water and
Aqueous Solutions of Nitric Acid," Khim. Prom., 1959,
150-5; .£.!., 58 :5099a.
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TECHNICAL NOTE 200-007-03a
GAS PHASE EQUILIBRIUM IN THE
SY STEM NOx - Ha °
23 August 1971
Prepared by:
Terry B. Parsons
Philip S. Lowell
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
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This note is a modification of Technical Note
200-007-03. It includes changes made when an equation involv-
ing N;Os was added to the system of equations used to describe
gaseous nitrogen oxides equilibria. Note 03a is identical to
Note 03 except for addit'ions on pages 2, 3, 6, 7, 9, 10, 11,
15, 16, and 17, and corrections on pages 10 and 13.
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The following species were taken into consideration
1.0
INTRODUCTION
This note describes the chemical basis and the
formulation of equations for a computer program to calculate
composition in the gas phase at equilibrium. The system of
interest contains nitrogen oxides, water, and their reaction
products. The ability to quantitatively describe the chemical
composition at equilibrium is important. With this informa-
tion it is possible to predict which species are significant
in the mass transfer mechanism. This note, however, describes
only the chemical basis and problem formulation. The appli-
cations of the computer program and the results will be
discussed in a later note.
N20 H20
NO HN02
N02 HN03
N203 02
N204 N2
N20S
The gas phase program was written to be compatible
with the aqueous equilibrium formulation developed to describe
equilibria in scrubber solutions. Ultimately, both gas and
aqueous phase formulations will be used to describe equilibria
in the system NOx-C02-H20-MeO, where MeO is a metal oxide.
The oxides NgO and NgOS are not formed in amounts
great enough to be of significance for the mass balance.
Even though NgOs is thermodynamically unstable with respect to
formation of NII03 or Ng04 above 29BoK (sr-026, p. 16), its con-
centration will be of significance for thermodynamic screening
considerations. Both NO and NOg are stable with respect to
decomposition into their elements.
Reaction 2-1 is slow enough to be considered the rate
limiting step in nitric acid manufacture.
NO + ~02
N02
(2.,.1)
2.0
CHEMISTRY
Only 5-10% of the NO formed during combustion is oxidized to
N02, since the residence time for most stationary combustion
processes is too short (BA-003,. p.l-B). Chilton (CH-032,
pp.29-30) calculated 6 minutes for the time required at 43°C
for reaction 2-1 to go to 95% completion at atmospheric
pressure, 10% NO and 7% 02' Therefore, the reaction was con-
sidered kinetically limited and was not included in the gas
phase equilibrium formulation. Reactions 2.,.2 through 2.,.6 were
included in the formulation:
In order to calculate the amount of each of the
species present in the gas phase at equilibrium, the species,
their possible reactions, and the resulting products must be
identified. For the purposes of these calculations, the only
components present in the gas phase were assumed to be the
various nitrogen oxides and water, their reaction products,
and inerts (see section 3). The interaction between sulfur
dioxide and nitrogen oxides is a kinetics problem and was not
considered.
2N02(g)
~
N204(g)
(2-2)
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NO(g) + NOII(g) ~ Na03(g) (2...3)
Na04(g) + HaO(g) ~ HNOa(g) + HN03(g) (2...4)
Na03(g) + HaO(g) ~ 2HNOa(g) (2... 5)
NO (g) + Nil 06 (g) ~ NOli (g)+ Nil 04 (g) (2-6)
with subsequent diffusion and dissolution in water droplets.
Others reported no mist formation or were able to eliminate it
by filtering the carrier gas repeatedly.
The equilibria in 2-2, 2-3, and 2-5 have been investigated and
found to be attained quite rapidly (CH-032, p.55, WA-014, WA-
015, pp.11-12). Wayne and Yost (WA-014, WA-016) measured the
rate of formation of HNOa, but expressed the rate constant and
the equilibrium constant for the reaction as written in 2-7,
(2) Nitric oxide has been found in the exit gas
when sodium hydroxide was the sorbent for gases initially
containing only NOa. The sorption products of an NOa, Na04
mixture in NaOH are nitrites and nitrates; there is no unionized
aqueous HNOa or HN03 present. Therefore, any NO formed could
not be a result of decomposition of aqueous HNOa. The nitric
oxide must then have resulted from decomposition of gaseous
HNOa. Since no nitric oxide was present in the inlet gas,
reaction 2...5 could not be the path for HNOa formation and
reaction 2-4 must have taken place.
NO + NOa + HaO
~
2HNOa
(2~7)
(3) Several investigators have attempted to observe
a homogeneous reaction between water vapor and nitrogen dioxide
in the absence of a condensed phase. In many cases, it was
concluded that no reaction took place. The conclusions were
based on the fact that either no pressure change occurred, or
no mist was visible.
making no distinction between reactions 2-5 and 2-6 and no
assumptions about the mechanism. They reported half times as
short as 0.014 seconds.
Whether or not nitric acid is formed by reaction in
the gas phase such as that given in 2-4 has long been a matter
of some controversy. The question has been discussed by nearly
every author that has written about nitrogen oxides absorption.
Carberry (CA-015) summarized some of the data published up to
1959 and Wendel and Pigford (WE-009) also gave a summary and
discussion of the findings of many investigators. The pertinent
facts are:
(1) Many investigators have observed mist or fog
formation when gaseous nitrogen oxides are absorbed into
aqueous solutions. They have interpreted the mist formation
as proof of a homogeneous gas phase reaction to produce HN03(g)
Wendel and Pigford (WE-009) discussed a possible
explanation for mist formation and for the presence of NO in the
exit gas. According to their theory, the heat of solution of
highly soluble gases causes vaporization of some water. The
vapor diffuses outward into the relatively cooler gas stream
and condenses forming a mist or fog. Na04-NOa mixtures can
then be absorbed in the condensed water vapor forming nitric
and nitrous acids. The NO is given off when nitrous acid
decomposes. These workers passed Na04 gas through an absorber
with the gas at 25°C and the water 40°C. A dense mist was
formed, but the amount of condensation decreased markedly as the
gas temperature increased from 25 to 40°C.
-3-
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Goyer (GO-012) reported, however, that the absorption
of NOa in mist droplets is negligible. As suggested to him in
a private communication from S. P. S. Andrew, Goyer proposed a
mechanism by which gaseous HN03 molecules form nuclei on which
wate~apor condenses. The homogeneous gas phase reaction to
form HN03 is proposed to take place between NOa and HaO rather
than between Na04 and HaO as in the liquid phase. A nitrogen
stream saturated with NOa was mixed with an air stream saturated
with water vapor in a mixing chamber. NOa was determined
photometrically in the inlet and outlet gases. Apparently no
condensed phase was present in the mixing chamber other than a
mist which formed on mixing. Even below 20% relative humidity
of the air-water vapor stream, a mist formed, but it evaporated
as the temperature was slowly increased and before it could be
detected on a filter. At higher relative humidities the mist
was collected on a filter and analyzed for HN03.
formed when NaCl nuclei were added to the gas mixture, but NOa
removal did not increase. It was therefore concluded that NOa
removal occurred through a gas phase reaction mechanism rather
than through absorption into mist droplets.
3.0
PROBLEM FORMULATION
3.1
Description of the Method
There are i components for which we wish to calculate
the mole fraction, Y., present at equilibrium. The components
1-
are listed below.
Two types of experiments were run in the mixing
chamber with 88% relative humidity and 4-7% NOa-Na04' The
concentration of NOa was continuously measured photometrically.
In some experiments, the gases were heated upon mixing. In
these cases, the amount of mist formed was slight and remained
constant. The amount of NOa removed increased, which was
attributed to an increase in the rate of reaction between NOa(g)
and HaO(g)'
i Component
1 lnerts
2 NO
3 NOa
4 Na03
5 Na04
6 HaO
7 HNOa
8 HN03
9 N005
In other experiments the gases were cooled on
mixing. In these experiments, mist formation was quite exten-
sive due to the condensation of water vapor. At lower
temperatures the NOa removal decreased due to the decrease in
reaction rate between NOa(g) and HaO(g)' At temperatures below
the dew point, mist formation also decreased since there were
few HN03 nuclei due to decreased reaction rate. A heavy mist
"Inerts" is used to describe flue gas components which are not
considered chemically reactive in the equilibrium formulation.
The other eight components are involved in the j
reactions which are also listed.
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3.2
EQuL1ibrium Constant Expressions
...L Reaction
1 2N01a ~ ND04
2 NO + NOD ~ Nla03
3 ND04+ Hla0 t! HNOg + HN03
4 Ng03+ HgO i! 2HNOa
5 NO + Ng05 t! NOg+ NgO"
The jth reaction is represented by 3-2 where a and ~
are the stoichiometric coefficients.
I Clij
i
Reactants
+!
\' ~,. Products
L ~J
(3-2)
i
h .th ..
The equilibrium constant for t e J-- react~on ~s shown in 3-3.
The relation between the mole fraction Yi and the number of
moles, ni' for each component is defined by 3-1 where NT is
the total number of moles including inerts.
9
I Yi
i=l
9
I ni/NT
i=l
1
(3..1)
K. =
J
~. .
n ai ~J
i
n Clij
ai
(3-3)
i
In addition, we wish to
cNO , chemical NOa, CNO' chemical
The~e input variables are defined
described in section 3.3.
define three other variables:
NO, and CHaO' chemical HaO.
by the mass balance equations
The activity, a., is defined
th ~
fi' of the i-- component and
For a standard state of unit
activity is given by 3-4.
as the quotient
the fugacity at
fugacity at one
of the fugacity,
standard state.
atmosphere, the
Finally, we can write an equation for the
constant for each of the j reactions listed above.
of the equilibrium constant expressions is given in
equilibrium
The form
section 3.2.
a.
~
"'
f./f~
~ ~
f. /1
~
f.
~
(3-4)
By combining the three mass balance equations and the
five equilibrium constant expressions we obtain a system of eight
nonlinear equations which can be solved for the eight unknowns.,
The system of non-linear equations is solved using an iterative
procedure originally developed for solving aqueous solution
equilibria.
Fugacities may be calculated from partial pressures using 3-5
where Yi is the mole fraction, P is the total pressure, and
vi is the fugacity coefficient.
f.
~
ViPi
ViYiP
(3-5)
Substituting 3-4 and 3-5 into 3-3, taking the log
of both sides, and rearranging gives 3-6.
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ln K.
J
I ~ij In(viYiP) - I (1ij In( ViYiP)
i i
(3.. 6a)
[I( ~ij -(1ij ) ] lnP + I (~ij - C'ij) lnYi + I( ~ij -(1ij )In
i i i
V.
J.
(3..6b)
The variables are K., P, v. and y.. The total pressure is one
J J. J.
of the program inputs. The fugacity coefficients are very
close to one for the conditions of this problem. The equili-
brium constants for each of the reactions are known as a
function of temperature, so they can be calculated from the
input temperature (see Section 4.0). The remaining variables
are the Yi's, the mole fractions which we wish to calculate.
3.3
Mass Balance Equations
Considering the stoichiometry of the reactions of
interest, we can account for the chemical NO, NO~ and H~O
by writing the mass balance equations shown in 3~7, 3-8, and
3-9.
CNO
a
nNO~ + 2i1Na 04 + nNa Oa + \nHNO~ + % nHNOa+ 3nNg 05
I
NT \YNO
~
+ 2YN 0 + YN 0
a 4 a a
+ ~YHNOa + %YHNOa + 3YNaOJ
(3-7)
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CNO
nNO + n~Oa + \nHNOa - ~nHNOa- nNg05
NT(YNO + YNaOa + \YHNOa - \YHNOa- YNa05)
(3- 8)
CHaO
nRa 0 + \nHNOa + \nHNOa
NT (YRa 0 + ~YHNOa + ~YHNOa)
(3-9)
The next step in the
number of moles, NT,
NO, NOa and Ra0.
formulation is to express the total
in terms of the mole fractions and chemical
NT
n 1 + CNOa + (..NO + CRa 0 - (nNa Oa + nNg 04 + ~nHNOg + ~nHNO:n~ ~ )
n1 + CNO~ + CNO + CH" 0
1 + (YN 0 + YN 0 + \YHNO + ~YHNO + YN~05)
aa a4 , a.
(3-10)
Substitution of Equation 3-10 into Equations 3-7, 3~8, and 3-9
and taking the sums of Equations 3-7 + 3-8 and of Equations
3-7 + 3-9 gives the following three mass balance equations in
terms of only the inputs (nl and chemical NO, NOa and HaO) and
the Y i ' s .
CNO"
nl+ CNO+ CNOa+ CHaO -
(YNO" + 2YN" 0.. + Na04 + ~HNOa + %YHNOa+3YNaOc!
( 1 + YN ° + YN ° + \YHNO + \YHNO +~05)
a a a 4 a "
(3-11)
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CNO+CNO
1)1 +CNO+CNO: +CRg 0 =
(YNO+YNO~+2YN~0~+2YN~0~+YHNO~+YHNO~+2YNA05)
(1 + YN 0 + YN 0 + ~YHNO + ~YHNO+ YN 0 )
23 ~4 2 3 25
(3-12)
t:.G~ t:.H~ - Tt:.S~ (4-2a)
t:.G~ - RT tnKT (4-2b)
tnKT ~!:.H0 - t:.Sf) (4-2c)
- ~
R T
CNO +CH., 0
n1+CNoicN02+CRgO
= (YNO~+2YN~0~+YN~0~+YHNO~+2YHNO~+YH20+3YN205)
( 1 + YNa 03 + YN2 04 + ~YHN02 + ~YHN03 + YNg OJ
(3-13)
Thus, the equilibrium constant for a reaction at temperature T
may be calculated by evaluating the right hand side of Equa-
tion 4-2c. The enthalpy term is evaluated from Equation 4-3
and likewise, the entropy term from Equation 4-4.
The mass balance equations are solved in the log domain as are
the equilibrium expressions described in 3.2. When the three mass
balance equations are combined with the five equilibrium constant
expressions the number of equations (8) is equal to the number
of unknowns and the Yi'S can be calculated.
t:.HT. = L {6ij[t:.Hf +
J i 298i
T
f Cp(T).dT!
. ~.J
298
a. . [ !:.H°f +
~J 298 .
~
T
J Cp(T)idT]}
298
4.0
CALCULATION OF EQUILIBRIUM CONSTANTS
T
L (6ij - C7.ij)[ t:.Hf + J Cp(T) idT]
i 298i 298
(4-3)
As discussed in 3.2 the dependence of the equilibrium
constants K. on temperature is known. The following is a
J
description of how K. may be calculated. Consider the
J
general gas phase reaction indicated by Equation 4-1, with
i reactants and Products where a... and S.. are the stoichio-
~J ~J
metric coefficients.
t:.5T. = L {Sij[S298.+
J i ~
T
r
J
298
Cp(T)i
T
T
dT] - o.ij[S298.+ J
~ 298
CP~T)i dTJ}
L o.ij Reactants
i
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where
Cp(T)
A + BT + CT2- D/T2
(4-5)
Integrating the heat capacity terms,
temperature limits, substituting ~H~
and collecting like terms results in
following form:
substituting the
and ~S~ in Equation 4-2c,
an equation of the
M = L (a ij - a... )A.
1.J 1.
i
~ = L (a ij - Ct.. )B.
1.J 1.
i
~c I (e ij - \
= a.. . IC'
1.J 1.
i
~D = L (a ij - Ct.. )D.
1.J 1.
i
tnKT
l/R(kl+ ~ tnT + kaT-:! + ~T-1 + lesT + kaT:!) (4-6)
The form of the constants Kl through Ke is given below.
k1
[ I (aij- a.ij)S298.J + M(-J,n 298.16-1)
i 1.
+ ~(-298.16) + (-~)(298.16):! ~C + (-~)(29~~16)a
Standard state thermodynamic properties and high temperature
heat capacity data are needed to evaluate the constants k1
through ka. The values in Table 4-1 were used. The resulting
constants for each reaction are given in Table 4-2.
ka
M
k3
(-~) ~D
k4
( -1 ) [ \' (a.. - a...) ~of ]
f: 1.J 1.J 298.
1. 1.
+ 298.16 M
+ (298.16)2
2
~B + (298.16)3
3
~C + C9~.16) ~D
ks
(~)~
ke
(1/6) ~C
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TABLE 4-1
THERMODYNAMIC PROPERTIES
6Ho S298 (ca1)
COMPOUND £298 (kcal) A (ca1) B (ca1 x 103) C (ca1 X lOB) D (ca1 X 10-5)
HNO:a(g) -18.84 59.54 13.25 3.26 2.86
HN03(g) -32.1 63.62 10.72 8.48 0.344
H:aO(g) -57.77 45.07 6.78 3.57 -0.46
NO(g) 21.56 50.35 7.03 0.92 0.140
NO:a(g) 7.91 57.34 10.26 2.04 1.61
N:a03(g) 19.80 73.91 20.50 2.05 5.14
I
.... N:a04 (g) 2.17 72.72 26.09 2.72 7.g5
V1
I
Ng 05 (g) 2.70 82.80 34.24 0.79 13.40
Radian
TABLE 4-2
CONSTANTS FOR EQUATION 4-6
REACTION K3x10-5 -3 K,;x104 Kax10B
K, ~ K..x10
2NOg +t N:a °4 -81. 664 5.57 -2.365 16.837 - 6.80
NO + NO:a +t N:a 03 -56.998 3.21 -1.695 11.760 - 4.55
N:a04 + ~O +t HN02+ HN03 66.231 -8.90 2.373 - 8.661 27.25 -7.667
N203+ H:a0 +t 2HN02 4.728 -0.78 -0.290 - 0.284 4.50 -7.667
NO + N:a05 +t N02+ N204 31.199 -4.92 1.99 11. 514 15.25
I
....
a.
I
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Equilibrium Gas
Composition
i NO:a' N:a04
~-----------------
NO:a, N:a04' NO,
Ng03
I
I-'
00
I
TABLE 5-1
Experimental Measurements on Gas
Mixtures at Equilibrium
Experimental
243-273°K. A bulb
containing solid or
liquid N:a04 was im-
mersed in a thermo-
stat whose tempera-
ture could be set
between room tem-
perature and -50°C.
Measured Quantities
PHO , the partial
pre~sure of NOg was
determined spectro-
photometrically.
------------------------ ------------------------
Solid N:a04 was added
to NO gas and the
reactants allowed to
reach equilibrium in
a system of known
volume and tempera-
ture. The pressure
was measured at
temperatures fro~
5 to 45°C.
TABLE 5-1
(Continued)
Equilibrium Gas
Composition
NO, NOa, Ng03,
Na04o' HaO, HNOa,
HN03
~-----------------
NO, N03, Na04o'
'N303' HaO,
HNOa, HN03
I
II-'
\C
I
Experimental
NOa was measured in-
to a thermostatted
reaction vessel. A
mixture of NO-H~O(g)
of known compos~-
tion was added. Ten
minutes was allowed
for equilibrium to
be reached.
------------------------
NO, NOa and HaO were
isolated and allowed
to reach equilibrium
at ambient tempera-
ture.
The pressure (at a
measured volume and
temperature) of NO
added was reported.
The amount of N:a04o
added in grams was
reported. The total
pressure at equili-
brium in the system
(at a measured
volume and tempera-
ture) was measured.
Measured Quantities
NOa added, mole frac-
tion of HaO in NO
added, pressure at
equilibrium, and
equilibrium concen-
tration of NOa by
spectrophotometry
were measured.
------------------------
The added amounts
of NO, NOa and H °
were measured. fhe
amount of NOa at
equilibrium was
measured from its
absorbance at 420
m~. HN03(g) was
not included in
the mass balance
or the calculations.
Calculated Quantities
The total pressure P in
the bulb was calculated
from the vapor pressure
of NaO at the tempera-
ture o! interest using
the equations of Giaque
and Kemp (GI-006). The
equilibrium constant
was calculated from
Kp = (PNO )3/(P-PNO ).
3 a
The data fit the ex-
pression
10g10Kp = 9.0l79-2947.4/T
----------------------------
The equilibrium con-
SLant for the reaction
N303 ~ NO + NOa was
calculated using (1)
mass balance equations,
(2) Giaque and Kemp's
(GI-006) values for
the equilibrium con-
stant K=(PNO )3/PN 0 ,
3 3 4
and (3) the equation
for total pressure equal
to the sum of partial
pressures of NO, NOa,
Na03 and Na04'
Calculated Quantities
The equilibrium constant
for the reaction NO +
NO + HaO ~ 2HNO was
calculated from (1) the
measured quantities,
(2) the equilibrium
constants for Na03 and
Na040 dissociation, (3)
mass balance equations
and the equilibrium
constant for the reac-
tion
3NOa+HaO ~ 2HN03+NO
----------------------------
The equilibrium con-
centrations of HNOa,
NO, N304o' N~03 and
HpO were calculated.
The equilibrium con-
stant for NO + N03 +
HaO ~ 2HNOa was cal-
culated.
References
VO-007
-----------
BE-023
References
AS-004
----------_.
WA-019,
WA-013
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to equilibrium mixtures were found. Mellor's Comprehensive
Treatise on Inorganic and Theoretical Chemistry was also
consulted, including a supplement on nitrogen published in
1967 (ME-009). The supplement contains a twenty-page review
on the analytical chemistry of nitrogen compounds. Nothing was
reported there on the determination of gaseous HN02 or HN03.
Koval, who studied the absorption of NO-N02 mixtures in a
wetted-wall column, stated (KO-026, p. 55) that analytical
techniques were not sufficiently developed to allow determina-
tion of gaseous HN02.
concentrations, and these inputs were used to recalculate
equilibrium concentrations with the gas phase equilibrium
program. A comparison of these calculated values with the
reported values is shown in Table 5-2. It is obvious that the
concentrations are all of the same order of magnitude.
Klemenc (KL-008) critically discussed four methods of
analysis of gas mixtures containing NO, NO~, N203' N204' H20,
HN02 and HN03 in a lengthy article. None 'of the methods allow~d
the direct measurement of HN02 and HNO~.
The data of Vosper (VO-007) and Beattie and Bell (BE-023)
as discussed in Table 5-1 were also used to calculate equili-
brium concentrations using the equilibrium program. Vosper's'
data are compared with calculated values in Table 5-3 and
Beattie's in Table 5-4. Note that Beattie measured only the
total pressure at equilibrium. Using his reported volumes and
temperatures, the number of moles present at equilibrium was
derived. That number is compared with the sum of the number
of moles calculated for each component by the equilibrium pro-
gram.
Wayne and Yost (WA-014, WA-016) measured the rate of
the reaction forming HNOp.(g) from light absorption of NOp'
measured using an electron-multiplier photo-tube and photo-
graphing the screen of a cathode-ray oscilloscope. Calculated
equilibrium concentrations of HN02(g) were reported as well
as input H20 and (NOp' + Np'03)' However, the apparatus
was a flow system and the total pressure at equilibrium was not
obtainable. The input NO pressure was not reported either, so
calculations or comparisons could not be made with their data.
Ashmore and Tyler (AS-004, see Table 5-2) investigated the
equilibrium system and reported the equilibrium concentrations
of each of the species of interest. The only one of the re-
ported values that was a measured value was the NOp' concentration.
The other values were calculated using reported equilibrium
constants and mass balance equations. It was possible to cal-
culate C"o' C and C from the reported equilibrium
" N02 HgO
Waldorf and Babb (WA-019) made essentially the same
investigations as Ashmore and Tyler (AS-004). Again, the only
equilibrium concentration measured was N02, and all the other
reported equilibrium concentrations were calculated from
equilibrium constants and mass balance equations. Waldorf
and Babb ignored the formation of HN03 and also apparently
neglected to account for the reaction of Ng03 to form HN02.
They reported (WA-013) corrected values for the equilibrium
constant, but they did not report the corrected equilibrium
concentrations, so no calculations or comparisons could be made
with their data. The data were not reported in Waldorf's
dissertation (WA-015).
In summary, an attempt was made to compare measured
and calculated values of equilibrium composition in the gas
phase system NO,-H20. The only measured equilibrium concentrations
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reported in the literature were for the component NOa. The
comparison of measured and calculated NOa partial pressures in
Tables 5-2 and 5-3 showed good agreement. Measured and calcu-
lated total number of moles also agreed satisfactorily as demon-
strated in Table 5-4.
TABLE 5-2
Comparison of Ashmore and Tyler's Values with
Calculated Equilibrium Concentrations
P(atm)
T-80.70C T'-=19.950C
~~~~~~~~ Calculated ~~~~~~~~ Calculated
Comnound
NO .5800 .5808 .6717 .6724
NOa .0233 .0263 .0204 .0227
NaOa .00058 .00059 .0105 .0104
Na04 .00007 .00012 .0045 .0049
HaO .13013 .13280 .0170 .0201
HNOa .01401 .00740 .0180 .0116
HNOa .000050 .000045 .000054 .000047
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TABLE 5-4
TABLE 5-3
Comparison of Vosper's Measured
Values with Calculated
Concentration at 273.2°K
Comparison of Beattie's Values
for NT with Calculated Values
PNO in atm
2
Measured Calculated
.067 .073
.050 .053
.031 .032
.017 .018
NT Calculated NT Calculate':
by Equilibrium from Measur~d Total
TOC Program Pressure BE-023)
25.04 .0358 .0353
25.04 .0345 .0341
25.04 .0395 .0391
45.12 .0144 .0152
45.04 .0452 .0463
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6.0
SUMMARY
7.0
This note discussed the chemical basis for describing
the equilibria established between NO, NOa and HaO in the gas
phase. The method of formulating the problem mathematically
and solving the resulting equations for compositions was also
given. Calculated values were compared when possible with
measured values reported in the literature.
AS-004
BA-003
BE-023
CA-015
CH-032
GI-006
GO-012
HI-006
KL-008
-26-
BIBLIOGRAPHY
Ashmore, P. G., and G. J. Tyler, "The Formation and
Thermodynamic Properties of Nitrous Acid Vapour",
J. Chern. Soc. 61, 1017-21 (1961).
Bartok, W., et. al., "Systems Study of Nitrogen Oxide
Control Methods for Stationary Sources", Prepared by
Esso Research and Engr. Co., Govt. Research Lab for
NAPCA under Contract PH-22-68-55, May 1, 1969.
Beattie, 1. R., et. al., "Dinitrogen Trioxide. Part
1. Stability in the Gaseous Phase", J. Chern. Soc.,
1957, 1681-6.
Carberry, J. J., Chern. Eng. Sci. 189, 94 (1959).
Chilton, T. H., The Chemistry of Nitrogen Oxid,es",
Strong Water, 25-53, MIT Press, Cambridge (1968).
Giauque, W. F., and J. D. Kemp, "The Entropies of
Nitrogen Tetroxide and Nitrogen Dioxide. The Heat
Capacity from 15 K to the Boiling Point. The Heat
of Vaporization and Vapor Pressure. The Equilibria
Na04=2NOa=2NO+Oa", J. Chern. Phys. £. 40-52 (1938).
Goyer, Guy G., "The Formation of Nitric Acid Mists",
J. Colloid Sci. 18(7), 616-24 (1963).
Hisatsune, I. C., J. Phys. Chern. 65, 2249-53 (1961).
Klernenc, A., "Zur Kenntnis
Methoden zur Gasana1yse irn
HNOa-HN03." Monatsh. Chern.
der Sa1petersaure X.
system Na-NO-NOa-Na04-Na03-
83, 334-345 (1952)
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WA-019
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Koval, E. J., "Influence of Nitric Oxide on Aqueous
Nitrogen Dioxide Reactions", Doctoral Dissertation,
University of Illinois (Urbana) (1958).
WE-009
Mellor's Comprehensive Treatise Qa Inorganic wru!
Theoretical Chemistry, Vol. VIII, Supp. II, Part II,
John Wiley and Sons, Inc., New York, N.Y. (1967).
Stern, Kurt H., "High Temperature Properties and
Decomposition of Inorganic Salts, Part 3. Nitrate
and Nitrites", A preprint, will be available from
NSRDS-NBS around May 1971.
Vosper, Alan J., "Dissociation of Dinitrogen Tetroxide
in the Gas Phase", J. Chern. Soc. A. 1970, 625-27.
Waldorf, D. M. and A. L. Babb,
of NO, N02, HaO, and HNOa", J.
1165 (1964).
"Vapor-Phase Equilibrium
Chern. Phys. 40(4),
Wayne, L. G., D. M. Yost, "Kinetics of the Rapid Gas
Phase Reaction Between NO, NOa and HaO", J. Chern. Phys.
19(1),41-7 (1951).
Waldorf, D. M., "Reactions and Equilibria in the Nitrogen
Oxides - Water System", Doctoral Dissertation, Univer-
sity of Washington, Seattle (1962).
Wayne, L. G. and D. M. Yost, "Rate of the Rapid Gas
Phase Reaction Between NO, NOa and HaO", J. Chern. Phys.
18, 767-8 (1950).
Waldorf, D.
of NO, NO:!,
(1963) .
M. and A. L. Babb, "Vapor-Phase Equilibrium
H20 and HNOa", J. Chern. Phys. 39(2), 432-5
-28-
Wendel, M., R. L. Pigford, "Kinetics of Nitrogen
Tetroxide Absorption in Water", AIChE Journal ~,
249-56 (1958).
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TECHNICAL NOTE 200-007-04a
COMPILATION OF THERMODYNAMIC PROPERTIES FOR
COMPOUNDS OF INTEREST IN NITROGEN OXIDES
AQUEOUS ABSORPTION PROCESSES
7 October 1971
Prepared by:
Nancy P. Phillips
Terry B. Parsons
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
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This technical note contains corrections to
Technical Note 200-007-04. Corrections appear on page
the text and page 18 of the Bibliography. In addition
and VI of the Appendix have been replaced by tables in
estimated values of nitrate and nitrite heat capacities
the heat of formation of CuO have been corrected.
14 of
Tables V
which
and
:-
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1.0
INTRODUCTION
The thermodynamic properties of metal nitrates,
nitrites and oxides as well as the oxides of nitrogen are
necessary for calculating equilibrium constants for nitrate
or nitrite decomposition reactions. These reactions are of
interest in describing the thermal decomposition of nitrates
and nitrites for regeneration of metal oxide sorbents for NOx'
Thermodynamic data were collected for the nitrates,
nitrites, nitrides, and hydroxides of 35 metals and for
several nitrogen oxides. The data were compiled in a data base
using a previously written program (PA-9l6) which also retrieves
the stored data. Properties for compounds for which no experi-
mentally determined values have been reported were estimated.
The
standard heat
heat capacity
is lower; and
tions.
thermodynamic properties tabulated were: the
of formation and absolute entropy at 25°C; the
from 273°K to 20000K or the data limit, whichever
the temperature, type, and heat of phase transi-
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The compilations searched included:
1.
JANAF Thermochemical Tables and Addendums
(ST-906, ST-9l7, ST-9l8, ST-9l9).
2.
National Bureau of Standards, Selected
of Chemical Thermodynamic Properties
(RO-907, WA-90l, WA-9l8).
Values
3.
Landolt-Boernstein, Chemische-Physikalische
Tabellen, Vol.2, Part 4: IIKalorische
Zustandsgrossen" (LA-908).
4.
K. K. Kelley, et al., U. S. Bureau of Mines,
Contributions to the Data on Theoretical
Metallurgy, Parts 3, 5, 8, 10, 12, 13, and 14,
(KE-909-KE-9l4, CO-9l3).
5.
O. Kubaschewski, et al., Metallurgical
Thermochemistry (KU-903).
This technical note describes the methods of data
collection, the extent to which data were available, the method
of storing and retrieving the data, and the methods of estimating
data that were unavailable from the literature.
A survey of the open literature from 1945 through
January 1970 was carried out by searching Chemical Abstracts
from 1947 to January 1971. It was felt that all earlier
reliable values would have been reported in the compilations.
The topics searched included:
2.0
DATA SOURCES
The sources of the reported data were existing
compilations and the open literature.
alkaline earth hydroxides, nitrates, nitrides, nitrites
alkali metal hydroxides, nitrates, nitrides, nitrites
enthalpy
entropy
heat capacity
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heat of formation
hydroxides
nitrates
nitric acid
nitrides
nitrites
nitrous acid
4.0
CONFLICTING VALUES
specific heat
thermodynamics
Occasionally, the compilations reported widely
differing values for a property of some substance. Two
values were considered to be conflicting if there was greater
than one kilocalorie per mole difference for the heats of
formation or greater than one calorie per mole per degree K
difference for the absolute entropies. In such cases, the
original articles were obtained, if possible, in an attempt
to resolve the conflict. One of the values was selected to be
added to the data base. The selected value was accompanied by
the bibliographic entry RA-001, which references this technical
note and indicates that values differing from the one selected
have been reported.
Abstracts of all promising articles from the open
literature were obtained. Approximately 30 of the original
articles were collected for further study. In some cases,
it was necessary to extract the data directly from the
abstract when the original publication was not available.
If so, care was taken to insure that the bibliographic entry
includes the volume and number of the abstract.
The following criteria have been used in selecting
the values used in the data base for the heat of formation.
3.0
DATA STORAGE AND RETRIEVAL
1. Calorimetric measurements have generally
been preferred. These methods are usually the most straight-
forward and the experiments are normally carried out at or
near room temperature. Vapor pressure or EMF measurements
are usually recorded at elevated temperatures. The accuracy
of conversion to standard conditions depends on availability
of heat capacity data, for which the authors sometimes rely
A previously written computer program was used to
store, tabulate, and retrieve the thermodynamic data and
references. The program is also capable of calculating and
plotting equilibrium constants, enthalpies, entropies, and
heat capacities of specified reactions as a function of
temperature.
on estimetcd "'.1['.11.:25.
The data for each compound of interest as well as
for sulfates, sulfites, carbonates and mixed metal oxides
are tabulated and printed in the Appendix in Tables V and VI.
Table V contains standard heats of formation, absolute entropies,
and transition data. Table VI contains heat capacity data.
2. Data for which the author has described his
estimation of error have been preferred.
3.
Values which fit best into our estimation
correlation were chosen.
-3-
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Criteria used in the selection of entropy values
ar.e as follows:
heat
high
1. Entropy values calculated
capacities have been preferred over
temperature data.
from low temperature
those obtained from
2.
were favored.
Values for which an error estimation was made
The selected heats of formation are discussed in
Table I and the selected entropy values in Table II. Where
one reference follows another in parentheses, the second
reference was cited by the first author as the basis for his
data. Tables I and II are ineluded in the Appendix.
5.0
ESTIMATED THERMODYNAMIC PROPERTIES
Table III shows what data were reported in the literatur~
for the compounds of interest. Data were tabulated for approxi-
mately 220 compounds, including hydrates. Measured heats of
formation were reported for 55% of the pure compounds; measured
entropies for 25%; and measured heat capacities for 20%. It
was found that the nitrites as a group lacked the most data,
especially for heat capacity and entropy. Since thermodynamic
properties were not reported for all the compounds of interest,
some of the data were estimated. Methods for estimating heats of
formation, absolute entropies, and heat capacities were previously
developed and had been applied to metal sulfates, sulfites,
carbonates, and mixed metal oxides under Contract PH-86-68-68
to the National Air Pollution Control Administration. A
detailed discussion of the methods and results has been
published (PA-9l6).
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- --" - ..-. -"" - --
TABLE III
THERMODYNAMIC DATA AVAILABLE FROM THE LITERATURE
CATION ELEMENT ANIONS
OXIDE SULFATE CARBONATE NITRATE NITRITE NITRIDE HYDROXIDES
t,H0* So C * t,H0 S'*C t,H0 S~C * t,H0 So* C * t,H0 So C t,H0 So C t,H0 So C t,Hu So Cp
f p f p p f p f p f p f p f
Ag K K K K K K K K K K E
Al K K K K E E E E E E K K K K
Ba K K K K K K K K K E E K K. K K
Be K K K K E E E E E E E K K K K K K
Bi K K K K E E E E E E K
Ca K K K K K K K K K E E K K K K K K
Cd K K K K K K E E E E E K K K
Ce+3 K K K K E E E E E K
Ce+4 K K K K E E E E E E
Co K K K K K K E E E E E K K
Co+3 K K K
Cr+3 K K K E E E K K K K
Cr+6 K K E E
Cs K K K E K E K E E K
Cu+l K K K K E E E E E E E K
Cu+2 K K K K K K E E E E E K K K
Fe+2 K K K K K E E E E E E K K
Fe+3 K K K K E E E E E E K K K
Ga K K K E E E K K K K K
~~+4~ K K K E E E K K
Hf +4 K K K E E E
K K K K K K K K K K E E K K K
La K K K K E E E E E K K
Li K K K K K K E K K E E K K K K K K
Mg K K K K K K K K E E E K K K K K K
Mn+2 K K K K K K E E E E E K K K
Mn+3 K K K K E E E E E E K
Mn+4 K K K E E E
Mo+4 K K E
Mo+6 K K K E E
I K - known value
0\ E - estimated value
I
* - not used in. estimation programs
TABLE III (cont'd.) Page 2
CATION ELEMENT ANIONS
OXIDE SULFATE CARBONATE NITRATE NITRITE NITRIDE HYDROXIPI;'(! -
t,H0* So C * t,H0 SOtc t,H0 SOtc * t,H0 SO* C * t,H0 So C t,H0 So C 611° S.o C 611° So c
f :16 P f :l P f:l P f p f p f P f P f P
Na K K K K K K K K K E K K K K
Ni+2 K K K K K K E E E E E K K
I Ni+3 K E K
I
I Pb+2 K K K K K K E E E E E K K
Pb+4 K K K E E
Rb K K K K K E K K K E K
Sb+3 K K K K E E E E E E
Sn+2 K K K E E E E K K
Sn+4 K K K K E E E E E E K
Sr K K K K K K K K K E E K K K
Ta+3 K K K K
Ta+5 K K K E E
Ti+2 K K K E E E E
Ti+3 K K K E E E K K K
Ti+4 K K K E E E
V+2 K K K E E
V+3 K K K E E K K
V+4 K K K
V+5 K K K E E
W+4 K K K E E
I W+6 K K K E E
Zn K K K K K K E E E E E K K K K
Zr+2 K E E K K
I K
Zr+4 K K K K E E E E E E
I
-..J
I
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5.1
ESTIMATION OF HEAT OF FORMATION
Standard heats of formation were estimated for
35 metal nitrates and nitrites. Reported values for heat of
formation for the corresponding metal oxides, nitrites,
nitrates and carbonate or sulfate were used to estimate the
unknown nitrite and nitrate heats. A computer program retrieved
the 71 known heats of formation indicated by K in Table III
for sulfates, carbonates, nitrates, and nitrites which had
previously been stored in the data base. The program employs
a method based on that of Erdos (ER-001) to perform the estima-
tion. This method is based on the theory that the heat of
reaction may be determined by summing the energies of all bonds
formed during the course of the reaction. When a metal oxide
(cation) i and an acid (anion) j react to form a salt, ij,
the following equation may be written for estimating the heat
of reaction.
R n.
- 6H.. '" B.. (K. - A.) J
~J ~J ~ J
(1)
B.. is the number of ion pair bonds formed, K~ is
~J .
the cation combining power, A. is the anion combining power,
J
and n. is the anion exponent.
J
The heat of formation of a salt from a.. moles of
~J
cation and b.. moles of anion is shown in Equation (2).
~J
6H!.J' '" a. .1lH~ + b. .6H~ + 6H~.
. 1J ~ ~J J 1 J
(2)
f f
The values for bH. and 6H. are known; some of the
R 1 J .
6H.. are known; a.., b.., and B.., are determ1ned
1J ~J 1J ~J
stoichiometry of the reactioh.
6H~. and thus
~J
from the
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Values for K., A., and n. are obtained by correlation
1f J J
of existing data for 6H.. with a least squares technique. The
1J
solution for K, A, and n involved solving a set of 30 simultaneous
nonlinear equations. Once K., A. and n. were known, bH~. could
1 J J 1J
be calculated and the heats of formation were estimated for
desired combinations of cations and anions. Table IV gives the
estimated values and the reported values on which the correla-
tion was based. The RMS error is 2.28 cal/two ionic bonds
formed.
5.2
ESTIMATION OF ABSOLUTE ENTROPIES
Absolute entropies were estimated for nitrates and
nitrites for which no reported values were found. The results
were based on known values for six nitrates: AgN0s, KNOs,
NaNOs, Ba(NOs)a, Ca(NOs)a, and Mg(NOs)a and one nitrite, AgNOa. The
known and estimated values are compiled in Table V in the
Appendix.
In order to estimate the nitrate and nitrite entropies,
a computer program retrieved known compound entropies from the
data base. It then calculated anion entropy contributions for
+1 and +2-metal nitrates and +l-metal nitrites employing a
modification of Latimer's method (LA-923). This method is based
on subtraction of the metal or cation contribution from the
compound entropy and making a correction for ionic forces.
Latimer's anion entropy values for +3 and +4-metal nitrates and
+2-metal nitrites (LA-923) were adopted since no data were
available with which to calculate values. The anion contribu-
tions were then added to Latimer's cation values (LA-923) to
obtain the estimated compound entropies.
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L
TABLE IV
HE AT OF FOR M AT ION ~T 25 DES C
CALORIES/GRAM MOLE
CO'-POUND I J PA rc~s OF HE AT OF FORMAT ION
IONIC SON OS C A L CU LA TED A C TU AL ERROR
, AG) 2 ( C031 1 1 1.0 -1.2551+02 -1.?098+0;> 11.62111+00
, AL 12' C0313 2 1 3.0 -7.0876+02
, 8 AI ' C031 3 1 1.0 -2.3778+02 -2.R716+02 1'..181111-01
, ~E " C031 II 1 1.0 -2.117110+02
, RI 12' C0313 5 1 3.0 -11.7503+02
, CA I ' C031 6 1 1.0 -2.8561+02 -2.9811+02 -2.5065+00
, CD I ( C031 7 1 1.0 -1.7752+02 -1.78116+02 -'3.3617-01
' C[+3121 C0313 a 1 3.G -3.n91(,+02
, CE +11 1 ( ::0312 9 1 2.0 -4.;09C+02
, CO I ' C031 10 1 1.0 -1.7059+02 -1.7330+02 -2.7069+00
I CS 12 I C031 11 1 1. G -2.7291+02
' CU+112' C031 12 1 1.0 -1.112:37+02
I ( CU +21 ' C031 13 1 1.0 -1.11521+02 -1.11210+02 3.108'3+00
t-' ' Ff +2 " C031 111 1 1.C - 1.7152+02 -1.7855+02 - 1 . D 31 9 + 00
o
I ' FE+312' C0313 15 1 3.0 -5.011112+02
, K 12' C031 16 1 1.0 -2.7327+02 -~.7187+02 1.3977+00
, LA 12' C~3)3 17 1 3.0 -7.97116+02
I LI 121 C031 13 1 1.0 - 2 . !3 B'3 5 + G-2 -2.~02()+02 -1.3C86+00
! "G " C031 13 1 1.0 -2.6033+02 -2.10398+02 -3.;>579+00
, ,'1111 +21 ' ::031 2C 1 ). 0 -2.10114+02 -2.13711+82 - 3 . 3082 + 00
, loiN + 3 I 2 ( :: 03 I 3 21 1 3.G -5.11527+02
I NA 12 I C031 22 1 1.0 - 2 .6%2+02 -2.F972+02 -9.31130-C2
, NI " C031 23 1 1.0 -1.688'3+02 -1.'5298+02 5. .:31 72 + OC
I PB +2 " C031 211 1 1.C - 1 . 7 7.3 0 +.0 2 -1.\;723+['2 5.07112+QO
, C?812' C031 25 1 1.0 -2.7007+02 -."2.;;9111'. +02 <;.3583-01
' 58+3121 C0313 26 1 3.0 -11.6'337+02
, SN +11 I , C :)312 27 1 2.0 -3.3132+02
, SRI ( ::031 28 1 1.0 -2.8739+02 -2.'1038+(12 -2.3873+QD
I 2N I ' ::031 29 1 1. (1 -1.9163+02 -1.1368+02 -2.li423+SC
, 21' +11 1 I c:J312 3G 1 2.0 - 5.0327+02
AS I? ( S 0111 ? 1. Q -1.7117+G2 -1.703£.+02 8.15C3-81
AL 12' SOli) 3 :? 2 3.0 -8.2838+02 -8.?03e+02 -1.'::834-03
q A I , S all I ;> 1.0 - 3.4572+02 -3.499~+iJ2 -.3.2;76+CO
, ~E I I 504) II 2 1.0 -2.6555+02 -2.q5b~+02 -11.7684-84
, O! ) 2 , SOli) 3 5 2 ~.O -6.SS10.G? -6.0.810+02 -3.12011-::'3
( C A I , S 1)4 I C 2 1. G -3.3750+02 -3.11019+02 -2.59112+00
, CD I I SOli) 7 2 1.0 -2.2233+02 -2.2120+02 1 . 1 3711 + GO
( cr. +3) 2' S 041 3 8 2 3.0 -9.5300"02 -9.'5300+02 -11.7684-03
, Cf" +4 I ( S 04 I 2 9 2 2.0 - 5.60GO+02 -5.5000+02 -2.5711-03
, CO I I S 0'" IJ 2 1.0 -2.1"05+02 -2.1190+()2 7. . 11112 .. 00
, CS 121 S 0111 11 2 I.a - 3.4230+02 -3.BGC+02 3.8013+00
, CU + J 12' S 04 I 12 2 1.0 -1.7'351+02 -1.7951"[;2 -2.'!755-011
, CU +2 I , S Oil I 13 2 1.0 -1.8433+02 -1.91122+02 1.1356-01
, FE+21 , SOli) 14 2 1.0 -2.2110+02 -2.2041 +02 6.39811-01
, n:+312' SI)ll I 3 15 2 3.0 -6.1560+02 -6.1560+02 -1.0300-03
C K 12' S alii 16 2 1. Q -3.11069+02 -3.4234+02 -1.6586+00
, L A 12' S 04 I 3 17 2 3.0 -9.3930+02 -9.3980+02 -11.11 708-03
, LI 12' S 04 I 18 2 1.0 - 3.11 507+02 -3.4258+02 2.118116+00
C ~s» 1 SOli I 19 2 1.0 - 3.0531+02 -3.~550+02 -1.9257-01
, ,'1N +2 I , S 041 20 2 1.0 -2.5024+02 -2.5395+02 2.2863+00
' MN+312' S Oil 13 21 2 3.0 -6.6630+02 -6.S£>90+02 -1.3539-03
, NAI21 S 0111 22 2 1.0 -3.3173+02 -3.30611+02 1.0939+00
, NI) ' S Oil I 23 2 1.0 -2.1139+02 -2.1350+02 -2.1120+00
I ' PR +21 ( S 0'11 2" 2 1.0 -2.1874+02 -2.1933+02 -5.9861-01
~... , RBI2! S 0111 25 2 1.0 - 3.3856+02 -3."050+02 -1.9353+08
h-' ' 58+312' S 01113 26 2 3.D - 5.7420+02 -5.71120+02 -3.4332-011
.
' SN +11 I ( S aliI 2 27 2 2.0 - 3.93140+02 -3.'33110+02 5.8365-04
, SRI ' SOli) 28 2 1.0 - 3.4436+02 -3.411'37+02 -6.1175-01
I 7.N I I S 0111 23 2 1.0 -2.3229+02 -2.B6'1+02 -1.11::;111+00
, ZR+" I I S 01112 30 2 2.0 -5.9701+02 -5.'!7Dl+02 -2.85314-03
, AG I ' N031 1 3 .5 -2.8760+01 -2.'3130+01 -9.1)9711-01
, AL I ' 1110313 2 3 1.5 - 2 . 3 9 38 + 0 2
, 9AI ' N0312 3 3 1.0 -2.3723+02 -2.3711+02 1.2053-Ql
, BE I ' N0312 II 3 1.0 -1.7171+02
, £II I ' N0313 5 3 1.5 -1.3321+02
, C A I ( N0312 £> 3 1.0 -2.2519+02 -2. 242e+02 9.1475-01
, CO I ' N0312 7 3 1.0 -1.0858+02 -1.0906+02 -11.3268-01
, CE+31 ' N0313 8 3 1.5 -3.0668+02
, CE +4 I ( N03111 9 3 2.D - 3.3266+02
( CO I , N :1312 Ii) 3 1.0 -1.:3017+02 -1.[:050+02 -3.3110-01
I CS I I tIi:>3) 11 3 .5 -1.2015+02 -1.2180+02 -1.;523+00
, CU + 11 ' N031 12 3 .5 -3.26111+01
, CCI +2 I I N0312 1 3 3 1.0 -7.0356+01 -7.?IIOO+01 -2.rJlI37+00
, "( +2 I ' N0312 111 3 1.0 -1.0723+02
-------
( FE +3 I ( N0313 15 3 1.5 -1.371)1+02
( K I ( N031 16 3 .5 -1.1817+::;2 -1.1710+02 4.6&05-01
( lAI ( N0313 17 3 1 . 5 -2.'3'333+02
( LII ( N031 la 3 .5 -1.11l'4+02 -1.152C+02 1 . '3414 + 00
( MS I ( N0312 19 3 I.G -1.9157+02 -1.'!8?7+Q2 2.5986+00
( MN +2 I ( N03 I 2 20 3 1.0 -1.4260+02
I MN +3 I ( N03 13 21 3 1.5 -1.6247+02
I NAI ( N:J3 I 22 3 .5 -1.1137+02 -1.1185.+02 1.2C35-01
( N! I ( W'312 23 3 1.0 -9.7<150+(:;1 -'3.120G+Dl -1.7498+00
( PA +2 I ( N0312 24 3 1.0 -1.0519+!J2 -1.0aCO+(\2 -2.3097+00
( PSI ( N031 2S 3 .5 -1.1750+02 -1.1700+02 '5.0145-()1
I S~ +3 I ( N03 13 26 3 1.5 -1.1662+02
( SN +4 I ( N0314 27 3 2.-0 - 1.6 7.? E.+02
( SR I ( N0312 28 3 1.0 -2.3368+02 -2.~33(1+0? -1.1715-01
( IN I ( N0312 29 3 1. C -1.182'3+02 -1.1560+02 2.S'34f.+00
I ZII +<1 I ( N ')3 I
-------
Radian Corporation
8409 RESEARCH BLVD. . P.O. BOX 9948 . AUSTIN, TEXAS 78158 . TELEPHONE 512 . .cS4-9S3S
The RMS errors for the estimated +l-metal nitrate
and the +2-metal nitrates were respectively 0.925 and 2.62
entropy units.
5.3
ESTIMATION OF HEAT CAPACITIES
Heat capacity coefficients for metal
whose corresponding oxide heat capacities were
estimated. The results were based on reported
data for the nitrates, nitrites, and oxides of
shown in Table III.
nitrates and nitrites
known have been
heat capacity
seven metals as
The estimation method used for the nitrates involved
adding an increment, ~C , to known oxide heat capacities. The
p
increment was calculated by a computer program by subtracting
oxide heat capacity coefficients from known nitrate heat capacity
coefficients. Using a least squares method, an average nitrate
increment was obtained. The increment ~C was then added to each
p
set of oxide coefficients yielding an estimated nitrate heat capacity.
The temperature range of validity for the estimated coefficients
was taken to be that of the coefficients for the corresponding
oxide. The same method was applied to the estimation of nitrite
heat capacities.
The accuracy of this estimation technique was indicated
by the fractional error, which is defined as the RMS error divided
by the average known heat capacity for the group of compounds of
interest. For the nitrate correlation, the fractional error was
0.208. The fractional error for the nitrite correlation could
not be estimated on the basis of one compound. The estimated
values were added to the data base. Table VI is a compila-
tion of kaown and estimated heat capacity coefficients. It is
included in the Appendix.
-14-
Radian Corporation
8C09 RESEARCH BLVD. . P.O. BOX 9948 . AUSTIN, TEXAS 78758 . TELEPHONE 512 - .c54-9S1S
6.0
SUMMARY
Thermodynamic data were compiled for 220 compounds
including the pure and hydrated nitrates, nitrites, nitrides,
and hydroxides of 35 metals plus several nitrogen oxides. Data
were collected and evaluated from the compilations and the open
literature. When widely differing values were reported, one
value was selected after consulting the original references.
Standard heats of formation and absolute entropies were estimated
for nitrates and nitrites for which no data were reported. Co-
efficients for heat capacity equations were estimated for 39
nitrates and 45 nitrites for which no data were reported. The
accuracy of each correlation was determined by comparing
accepted values with those calculated by each method and
computing a root mean square (RMS) error. The estimated values
were also compiled in the data base. A copy of the data base
arranged in alphabetical order is contained in the Appendix
in Tables V and VI. Table V contains the standard heats of
formation, absolute entropies, and transition data; Table VI
is a tabulation of the heat capacity data. Tables I and II
are also included in the Appendix. They contain a description
of values selected for heat of formation and entropy when widely
differing reported values were found.
-15-
-------
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AB-902
AO-OG 1
AO- 9Q 2
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BE-928
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81-003
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BO-914
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8 R- 002
BR-003
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BU-918
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C A-DO 2
PAGE:
9I. lo'3-UdI9f.SI.
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'!ISlIC5r.4?HY (CONT rNUEOI
PA,jE:
CHEMICAL 4IJST'14CTS.52:7CE.
PP. 43-9( i9531.
N.4. lANOIYA. T. GRU:>TN. POlTTtKH. INST.
CHEMIC4l 49ST:HCTs.se:7432D 4.4. FOTIEV. ZH. PRIKl. KHIM. VCl. 35.
P P. 2402- 3 ( 1 % 2 1 .
CHEI-I IC 4l 43ST R ACTS, E.4: 11950F.
VOL. 7C, PD. 711-17(13661.
I.J.8,c:ttR, 6.G.
TURN')Ull, J. PHYS. CHEM.
CHEMICAL 4B5T:<4CT5,s9:134030. A.4. SHIOlOVSKII, A.A. VOSKRESENSKII.
2H. FIZ. KHIM. vnl. 37. PP. 2002-711%31.
CHEMICAL AS5TRACTS,6s:193U;F. G. V. rrOlIDER, ET 4l. 2H. FIl. KHIM.
VOL. 40. PP. 2160.-701196('1.
CHE~ICAl ABSTR4CT?,s4:62874. H.W. GOLDSTEIN. ET Al. J. PHYS.CHEM. VOL.
0, PP. 1445-9\19591.
CHEMICAL ABSTR4CTS 64:14186.
REPT. INVEST. NO. 6587119651.
R. BAR4NY, l.H. AD4MI, U. S.
-------
AB-902
AO- OU 1
AO- 902
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BA-928
BE - 00 2
BE-923
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BE-930
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81-002
81- 00 3
BO- 00 1
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BR-002
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a R- 004
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PAGE:
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YOlo 'I. po. lo9-7h119E>51.
INGRAH4..,.
P. ~oRI£R. CtN. MET. QUART
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PA,jE:
(HO! IC 4L A'!STQ 4CTS. 52: 70(.
PP. 7:,H. II.E. "ELL. M. TAG4MT. J. PHYS. CHEM.
VOL. 67. PI'. 2432-6 115631.
CHEMICAL ABSTRANS 58:6257F~ 101.101. WELLER. E.G. KING U. S. aUF/.
MINES. RE?T. INVEST. NO. 6147 (1%31.
PAGE:
~IRLrOGp.APHY ICOfJ1!NUEOI
CH~MICAL 4PST;{ACTs.sa:Z1C;C. F.A.
KHI;~. VOL. 35. po. 956-7 1l'J611.
T.."I. REZl1KHT'JA. ZH. '~IZ.
V.UZ Nrrs .'"';v.
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PEcT. INVT.ST. i'~U'. :=.590 (l~FO).
CHEMICAL ogST~ACTS ;,,:9327D. N.G. 80RONCH[£VO . L.A. ZHAf'~OVA. ZH. FIZ
K'H~.VOl. 4,3. PI'. 13£6-70 11%61.
ChE"'ICAL ABSTRACTS 64:16722G V.A.
VOL. 1. ?? 1371-4 (1965J.
L~VTTSKII.. ~T
AL. [L_EKTPO~HHnYA.
CHEMICAL ASSTP4CTS 54:17(:2%. C. aRISI. F. AB!!4TT!SU. AN"!. CHII'''.
(ROME I VCL. ::,0. PP.lS5-9(1'350J. S'E!'.: TR-GOS
CHE/HCAL A8STflOCTS 5S:702€H. V. A. LEVITSKII. T. N. PEZUKiHI'4. ZH.
FIZ KMIM.V'~L. 37. PD. l13S-? Cl%!I. SEt: TI<-005.
CHEMICAL 48STIHCTS <.1:1321E. L.A.7HARKO'I0. N.G. "AR4NCHEf.:VA. 2H. F1Z.
KHIM. VOL. 38. PD. 752-4 Cl?E41.
CHEMICOL 4?STiHCTS ;;5:9511. V.A. LEVITSK!!. [T OLe IZV. AKA~.N4UK SSSR
NE(1RGAN. ,"ATEnoLY. VOL. 2. PP. 32,5-31 11'35GI. SEe TR"':D05.
CHEMICAL 4BSTRACTS 56:136260. F. ~1ASSOZ24. ANN. OHM. (ROMEI VOL. 52.
PP. 51-8..
CHEMICAL A8STRACTS GS:9822G. l.M. L[NEV. I.A. NOVOKHOTSKIY. IZV. AKAO.
NAUK SSSP. MET ALLY. PP. 73-3. (1%&1. SEE TR-005
CHEMICAL 4BSTRACTS ,,5: 9BHC:.
VOL. 34S. po. 134-6 (19651.
M. FISCHER.
2. ANORG. 4LLGEM. CHEM.
CHEMICAL ABSTRACTS 63:121>5F. R.
NO. £618. 11%51. SEE TR-OG5.
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CHEMICAL ABSTR4CTS 56:20'1(;(. Z.V. PROSHINo. T.N. REZUKHINA. ZHUR.
"JEORGAN. KHIM. VC'l. 5. PP. lClb-21 (1%01. SEE TR-005
CHEt'ICAL A?STI:1ACTS 51:12705:". L. !<. lENEV. I. A. NOVOKH4TSKII. IZV,
AKAD. NAUK 5SSR. MET. I GORN. DELO. PP. S7-9G 11?"4) SEE TR-005.
CHEMICAL A9ST~OCTS 59:nF. T. N. REZUKHINA. V. A. LEVITSKII. ZH. FIZ.
KHI!"~-. VOL. 37. ~~. 6E7-S t 1"163) ~[~ TR-CG5.
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4
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9IRLIOG"APHY ICONTYNUEO,
PAGE:
CHE"'ICAL ~eSTi)ACT<; (;3:50070 A.N. r;OLUBENKi), ET AL. ZH. FJ? KHIM. VOL.
39. PP. 1154-7 11%51.
CHE",ICAL ~BSH)"TS 63:77G10. V. A. LEVnSKJI. n AL. ELEKTROKHIMIYA
VOL. 1. PP. 237-'3 119GSI. SfE TR-0()5.
CHE"'ICAL ABSTRACTS 63:77010. A. N. GOLU3E',KO. T. N. REZUKHINA. ZH.
FlZ. KHII~. VOL. 3<). PP. 151'3-21 11%51 SEt TR-OO~.
CHEMICAL ABSTRACTS 63:638<)0. Y. A. ZAJONCHKOVSKIJ. E. V. RUBAL'SKAYA.
IZV. AKAO. NAUK SSSR. NEOROAN. MATERIALY. VOL. 10 PP. 257-9 11%51.
CHEMICAL ~SSTL. 10. PP. 2400-3 11%51 SEE TR-OO~.
CHEMICAL ABSTRACTS 59:24730. I. A. NOVOKHATSKII. IZV. AKAO. NAUK SSSR
OTO. TEKHN. NAUK. HET. I GORN. OELO 1963.
CHEMICAL ABSTRACTS 62:9867H. B. I. PANFILOV. N. N. FEOOOS'EV. 2H
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CHEMICAL ABSTRACTS 60:238'3(. L. A. ZHARKOVA. ET AL. OOKL. AKAO. NAUK
SSSR. VOL. 128. PP. 992-4119591.
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NO. 5700. (19601. SEE TR-COS.
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CHEMIC~L aBSTR~CTS 60:2387(. T. N. REZUKHINA. V. A. LEVITSKII. ZH. FIZ
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CHEMICAL ABSTRACTS 57:2927E. R. B~RANY. ET AL. U. S. BUR. HINES. REPT.
INVEST. NO. 5973 (1962.. SEE TR-OOS.
CHEHIC~L ~BSTR~CTS 56:13212B. W. W. WELLER.K.K. KELLfY U. S. BUR. MINE
REPT. INV~ST. NO. 6191 (1%31.
CHEMICAL ~BSTRACTS S7:13233C. L.a. REZNITSKII. K. G. KHOMYAKOV. VESTN.
MOSK. UNIV.. SER. II. KHIM. VOL. 15. PP. 28-30( 19601 SEE TR-005.
CHEMICAL AI3STRACTS G2:Q6960. R. L. ALTMAN. J. PHYS. CHEH. VOL. 68
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PAGE:
'HBLIOGP.~PHY (CONTINUED.
CHEMIC~L ~BSTRACTS 64:74350. O. J. KLEPPA.A. NAVROTSKY. INORGAN. CHEM.
VOL 5. PP.192-J 11961;. SEE TR-OO!;.
CHEMIC~L A9STR~CTS 57: 15893'3.[. G. ,ONG. ET ~L. U. S. BUR. MINES.
REPT. INVEST. NO. 6049 11%2' SEE TR-OD5.
CHEMICAL ABSTRACTS 58:SI03C. W. II. IIELLER. E. G. KING. U.S. SUR. MINE
REPT. INVEST. NO. 6130 (19£-.2.. SEE TR-OO&.
CHEMIC~L ~!!STqACTS 56:10999H. \I.W. WELLER. c:. G. ;(ING. U. S. BUR.
MINES. REPT. INVEST. NO. 595'1 (1961. .
CHEMIC~L A'ISTRACTS 62:125C9H. ~.N. GOLUBENKO. T. N. RE:ZUKHINA. 2H. FIl
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CHEMIC~L ~8STiHCTS;1:5270C. L. M. LENEV. I. ~. NOVOKHATSKII. IlV.
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CHEMICAL ABSTRACTS 66:694S4J. D. PHOGEswa~~ R~O.
CHEM. VCL. 71. PD. 537-401l'1r71. SE TR-CCS.
v.v. D~D4P~.
J. ?HVS.
CHEMICAL A8STR~CTS 49:7'11<)G. KU4N PAN
SER II. V!'!L. 1. DP. 1-15 119:;'11.
J. CHINESE CHE~. 50[. IT~IW~N'
CHEI'ICdL A!!STR~CTS 'Ie.: 1131F. E .J. HUBER. C.1:. HOLLEY
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CHEMIC~L ~BSTR~CTS 57:2927F.
INVEST. NO. S'HZ 11962..
A. 'J. HA H
U. S. BU'? MINES. nPT.
CHEMICAL ~~STqACTS 5b:1362S~.
VOL. 52. OD. 51-8 11%21.
F. Ma~S~ZZA.
ANN. CHIM. (~O~r.1
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u. ~. QUR.
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PAGE:
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"'A<;(;
~IBLIOGRAPHY (CONTINUEOI
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7
q
-------
DE-914
DO-910
00-911
DR-901
Ow- 001
E i:1- 001
E Q- 0:;,
EW-901
!'E- g::; 3
r L- DO 1
FO-903
r Q- DC I
P-'3C5
FR-913
FR-914
Gt;:- '3C2
SE-'!C3
G 0- CC I
f:R- no I
GR-911
GU-904
GU-911
HA-936
H(- 00 1
H£- DC 2
~I!\LIOGI'4PHY ICC~ITINUEOI
9
P4GE:
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10
~18L!()GRAPHY ICONTINUEOI
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-------
HE- DO J
H I- CO I
HI-906
HO-910
HO-919
HU- OGI
HU- 00 2
HU- 00 3
HU-004
HU- 006
HU- 00 7
HU- 00 a
HU- 9C 3
HU-908
HU-909
I >J- r.o I
IN- C02
J A- DO I
JE- ocn
J 0- 00 I
JU- DO I
JU-901
JU-902
K A-::10 I
K A- 00 3
KE-::JO 1
KE- r:r::?
K(- O;:-S
~ISlIOGRAPHY ICONTINUED)
PAGE:
L. 1;. Hf"l<::>. C. N. "'ULOc;OW. J. PHYS. CHf.,~.. VOl.~2. P. ?~2 11':'5~1.
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("J". O~TA. VOL.
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PAGE:
RIRlIOGCAcHY ICONTINUEDI
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KAPU5TIr;~KII ANO r-OU.IT\
-------
Y.C- CCf4
II [- 005
K E - OO?
II S- %9
K [- 91 G
K S- 911
K[-912
111::- 'H.~
II E- 914
K r- ao 1
K!-G02
II L- DO 1
K 0- OCH
K~- 0::: 1
K R- CO 2
KU- 00:
KU- 0(; 2
KU-003
K U- 004
KU-COS
KU- 30!
KU-9D6
KU-9D7
L A- CG 1
L A- 'JG 2
L >\- 30.1
LA-916
LA-923
FA'j, :
"I"UOGC4PHV (COl-.,. INUEOI
¥I.. '<. KElLfV.
5Se411%7I.
~:.. w. W~LLE~. u. s.
3l1R. MINES. R[",. IWE<;T. NO.
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i
-------
L E- Or.!
11-908
~ A-IJr.; 1
~ A- DO 2
M A- 00 3
M A- 005
~ ~- ? 2 S
M~- '328
MA- 93 3
M A- 94 3
MA-946
MA-947
MA-948
MA-949
ME - ao 1
ME-OC3
'H- 00 1
MI-~06
MI- 907
':0- 00 1
"0- as 2
MO-913
'"u- 'J 11
/1111.'1'2.
MU-912
MY-901
NA-935
~Io,LrOG,4P~Y (CONTINUEDI
PAGE:
L~VITS~II. F.T AL.. "U3S. J. PHYS. (HEM.. VOL. 3~.. NO.6. ". 671 119611
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15
16
-------
NA-936
N B- 00 I
N 8- OOZ
N g- 00 3
N9- ocq
N 8- OC S
NE- 'Oq
NE-907
NE-908
NE-909
NE-9l0
N 0- QO 5
o R- no I
ow- 00 1
OW-OOZ
P ~- 00 1
P ~- 00 Z
PA-9l6
P E- 00 I
FL- '1[']
po- 91Z
P R- '103
P a- CC 1
IH- CCZ
R 4- CO 3
P a- 0 (; ~
I" a- 005
P~GE :
11
'H9LIOGRapHY ICONT!~UEO)
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(1942) . ' . -'
SElE:CTEO VUUES M" CHEM. THERM. PROPr.RTIES .f'~RT I.N~TTON~L ,>URf4U
CF ST~N04ROS.1S65.
SElE:CTEO V~LUES OF CHEM. THERM. PRaPERTIES.P4RT IT.N4TION4L BURE~U
OF ST~NO~qO~.19~6.
F.QOSSINl.ET ale SELECTrO V~LUES OF CHE~. THEP~. PROPERTIES. N~TL.
BUPE ~U OF S T ~NO~P!:'S. C It! CUUR SOD. 1195 Z I.
NaTION~l STaNO~RO REFERENCE O~T4 SERIES N8S-7. HIGH Te:MPER~TURE PROP-
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PAGE:
18
~If\LIOGQ~PHY ICONTINUEOI
OWEN. J. ~M. CHft-'. SOC.. VOL. 56. P. lESS 1l93~1.
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P. lec:!' 11c:!Z~).
HT I. RENIJ. ACOO. LINCET. SER. r;. VOL. 7.
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P. IDe:! IIQ:'8).
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qTH EDITICNIl901.
PlEKHOTKIN. V.F.. J. 4PPLIED CHEM. U.S.S.R.. qOlI1). ZQ70. 11'1671.
P('UILlEN. P~UlETTE. ~~!D JFA'. SAUREL. ,C.R. ~CA{). <;CI.. PARIS. SER. C.
2 E G C Z 5 I. 1 f, r; I. C 196 e I. C. A. (9- t 211 au.
PROTSEN~(\. p.r.. !OT AL.. rzv. VYSS~. UCHEB. z~vn:~.. KHI~.. KHI,.,.
TEKHNOl.. I?Cllt 3. 11%9), c.~. n-I(1(!2%Q.
THIS '~llF \lAS SELECTED FROM SEVERAL
~AOrA" TrC~NICAL NOTC 2CC-OQ7-CG.
DIFFERENT REPOPTED V~LUES. SEE
RAOI~N ESTJ~DTEI) VALUE USING MODIFIED ERDOS METHalJ. SEE TECHNIC4L
NOTE iCO-D07-QG.
R4CIAN ESTI~ATED VALUE U;!NG MOOIFI~D l~TIMER ~[THOD. SE': TECHNIC~L
~OTE 2CD-~r+7-04.
RAC'!AN EST!MHEO VALUE USING LATIMER'S AfdCN VAUFS. SEE TECHNIC~L
fl:cTF 20C- '::G ~-CG.
QA!JIAN E~TI"AT(D V~LUE USING MOoIFI:.O MOP'''5 RUL.. SEE HCHNI!:AL
~~T€ 2SQ-r.r:-7-04.
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IH-'!2;,
R f- 00 I
<1 E- f102
,qr:-ao!
f't:- 1)05
II a- 0[; 1
R 0- aD 2
II 0- 00 3
p 0- 00 ~
R 0- Oc. 5
R 0- 00 f;
RI)- <:!07
5 4- a 01
SA-916
SA-9l7
SA-918
5 c- 0 G 1
s c- aD 2
S C- 00 1
S C- DOlf
S C- '31 2
SC-9l9
SC-920
SE-910
5 H- 00 1
: H- : 0 2
S!-SCl
SI-9Ql
SI-9CC:
PAuL
~I~LIOGR40HV (CONTINUEDI
R4V, J4M,S 0..411'0 R. b. fIGG. JR.. J. PHVS. CHEM. £0. IS"<)-lfOG
(19,'f.l.
4. PEISM4N. J. 4"'ER. CHE". SOC.. VOL. RD. PP.355~-9 119551.
L.4. REn:TTSKII. lH. 1'12. K'iII'!.. VOL. 38. P. 160 119r;~I.ICHfMIC4L
4B5TR4CTS.Fl:?OO~F.1
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W.4. ROTH. F I 4 T 'PEOORTS OF GER!"4N SCIENCE. INORG. CHEM..
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PO<:S INI, F. D.. ~T ~L.. SfLECTEO V411IES OF CHE1-:Jr.4L THER"IODYN4MIC
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~I~LIOG'HPHV ICO'lTTNUEDI
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H. SC!HEI'f.0.
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H. HtITL~ND. ?. ANORG. CHEt-1.. VOL. ~n4. ? '?!4S:,
N. G. SCH"I4LL. E. MINZL. 7. PHVST!<. CHEM. IFR~NI(I'URTI. VOL. 47.
p. 1~2 11%51.
R. SCHENCK. P.VO,~ OrR FOeST. ? 4NO'~f:.. CH,M.. VOL. 2'11. ep. 145-
57. (19301.
SCHENCI( 4ND .,4U'3.
z. AN{)P~. CHEM.. VOL. 173. P. '?5 Cl'32?).
<;C HUERM6.":N. f..., t.ND V C'N
74(5), 4;:::2, (1°70).
LJ. NFDELJKOV rc.
~.rH. mH\'<:',E.Nf:ES.
">lVS. C>lEM.
Schwei te, H. E., and E. Hey, "Uber die Lo'sungswarmen des Calciumoxyds
und des Calciumhydroxyds in ihrer Abhangi~keit von der Konzentration der
Salzsaure,1I Z. Anorg. Chem. 217, 396-400 (1934).
Schwiete, H. E., and A. Pranschke, "Technique of Determining the
Heats of Solution in Acids of Different Concentrations," Zement
J.~'t, 593-8 (1.935).
Seybolt, A. U., and R. A. Oriani, "Pressure-Temperature-Composition
Relations in the Cr-N Terminal Solid Solution," J. Metals .!h AIME
Trans. 206, 556-62 (1956).
c. :; ~O~"I"'i:.
J. 4.~. CHfM.
vCL. ~;~. ?P. 9€4-.r- (1?4().
"., t., \~ .. .
S~C~"'o.TE, "]t,YL!'~, 4!'>.ri ?OE~!CK,r, u. -.::,.
3~~,4 C 194~). J. a~. C~E,~. s::c... VGl.
;:.Uq. M!NF:~.
~, E. 0.. 1: (\ 1
~EPT. INVf~,T. NO.
11')Q<.).
S!",\':!\.I toN;) T'...aLE'? Z.. lU;OC:G. Cl;[~.t
VOL. lr.;.~. P.
;:: c,3 (1 q? 7) .
Sillen, L. G., Stabilit! Constants of Metal-Ion Complexes, Section I:
Inorganic ~, Spec al Publ~catTOn No. 17, London: The ChemicaL
Society, BurTIngton House, W.l (1964).
SI[-,q::~~. ~.Q.. .3.',:0
c.~. 7Q--:;1~7CY.
\.~ . F .
;:14')"'.lE, J. P'
-------
SL-905
SL-906
S T - 00 1
ST-OOZ
S T - 906
ST-917
S T- 918
ST-919
S T - 9Z 0
ST-926
S U- 00 1
T .- 001
TA-911
T A- 913
T H- 00 1
TH-908
T R- DO 1
T R- OC Z
T R- CO 3
T R- 00 q
T'I- 00 5
T R- OC I;
T R- 007
T R- 008
T R- 009
T R-1)1 0
V 4- ac 1
PAGE:
21
PIBLIOGRAPHY ICONT INUEO'
Slade, R. E'l and G.-I. Higson, "Dissociation Pressure of Some Nitrides,"
Chem. News~, 166 (1913).
Slade, R. E., and G. 1. Higson, "The Dissociation Pressures of Some
Nitrides," J. Chem. Soc., London 115,215-16 (1919).
J.R. STUB'3LES. F.O. RICHARDSON. TRANS. FARAQAY SOC.. VOL. 56.
P. 11160 119601.
R.p. STEIG':"!. E.D. cnER. J. PHYS. CHEM.. VOL. 72. PP. 2231-3119681.
STULL. D. R.. PROJECT DIPECTOR. AND ST AFF. DOW CHEMICAL CO.. JANAF
THERMOCHEMICAL TABLES. PB 168 370. 119651.
STULL. O. R.. PROJECT DIRECTOR. AND STAFF. DOW CHEMICAL CO.. JANAF
THERMOCHEI'\ICAL TABLES. FIRST ADDENDUlh PB 1&8 37!)-1. 11%61.
STULL. O. 1/.. PROJECT DII/ECTOR. AND STAFF. DOW CWEMICAL CO.. JANAF
THERMOCHEMICAL TA8LES. SECOND ADDENDUM. PB 168 371]-Z. 119671.
STULL. D. R.. PROJECT DIRECTOR. AND STAFF. OOW CHEMICAL CO.. JAN4F
THERMOCHEI'\ICAL TA8LES. THII;D ADDENDUM. PB 168 370-3.11%81.
STULL. D.R.. O.L. HILOENBRAND. F.L. OETTING. G.c. SINKE. J. CHEM. ENG.
DATA. 15111. 5Z. 119701.
STERN. KURT H.. HIGH TEMPERATURE PROPERTIES AND DECOMPOSITION OF IN-
ORGANIC SALTS. PART 3. NITRATES AND NITRITES. PREPRINT. 119701.
K. SUDO. SCIENCE REPT. RESEARCH IN5T. TOWOKU UNIV.. SER...
VOt.--Z. P. 507 11'1501.
M. T AGAMI. W. BELL. J. PHYS. CHEM.. VOL. 70. P. 3735 119f:DI.
Taylor, K., and L. S. wells, "Heat of Solut1on of Calcium and
Magnesium Oxides and Hydroxides," J. Res. Nat. Bur. Stand. 21,
133-49 (1938).
PAGE:
2_2
BIBLIOGPAPWY ICONT INUEDI
TAYLOR. A. 'I.. JP.. AND D.F. SMITH. U. S..BUR. MINES. REP. INVEST. NO.
5%7 119621.
rHOMSEN. THER"10CHf.MISCHE UNTERSUCHUNGEN. BARTH. L£IPZIG 11B82-
18RGI.
Thomsen, J., Thermochemische Untersuchungen, Barth, Leipzig (1882-86).
TRACOR VALUE ESTIMATED USING MODIFrCI KOPP'S RULf.. SEE TECHNICAL
MEMORANDA DDq-DD9-CHli AND OCII-OOS-C~I~A
TRACOR VALUE ESTIMATED USING MODI~1EO ERDOS METHOD. SEE TECHNICAL
MEMORANDA DOQ-D09-CHI AND GO~-009-CHIA.
TRACOR VALUE ESTIMATED USING MODIFI~D LATIMER ~~THOD. SEE TECHNICAL
M£MORANOUM OC4-DC9-CHS.
HEAT CAPACITY OBTAINED BY SUMMING HEAT CAPACITIES OF CONSTITUENT
OXIDES FROM TRACO~ DATA EASE. SEE TECHNICAL MEMO~ANDUH DrQ-DD9-CH3.
HEAT OF FORMATION OBTAINfD BY COHeINING HEAT OF R~ACTION FROM
LITERATURE WITH HEATS OF FORHATION FROM TRACOR DATA 9ASE.
ABSOLUTE ENTROPY OBTAINE[\ AY COMBINING ENTROPY O~ REACTION !'ROM
LITERATURE WITH ABSOLUTE ENTROPIES FROM TRACOR DATA BASE.
ENTROPIES -rop TUNGSTHES AND MOLYBDATES EST IHAHn FROM
OSSERVATIONS BASED ON RE~ULTS IN TECHNICAL MEMDRA~DUM 004-00S-CH5.
TWE HEAT r.APACITY OF CR03 WAS ESTIMATED FROM THE 4EAT CAPACITIES
OF W03 AND 1'1003.
TRACOR VALUE eSTIMATED FpOM OXIDE HEAT CAPACITY. SEE TECHNICAL
HEI'ORANDUM OC~-Or.9-CH13.
THIS VALUE HA~ BEEN SELECTED AS TH~ BEST OF SEVERAL DIFFFRENT
REPORTED VALUES. SEE TECHNICAL MEMORANDUH OOll-009-CHI8
V. A. VANYUKOV. N. A. KISELEVA. YU8. SBOR. TRUD. KAFfD. I lAR. TYAZH.
METALL. f~OSK. IN$T. TSVETNYKH METALL. r ZOLOTA NO.7. P. 3GQ. 119391.
-------
VE-905
W A- 00 1
W A- DC'
W A- 90 I
WA-9I2
W A- 91 8
WE - 00 I
WE-9I9
W I- 00 I
W I- 00 2
W 0- 00 1
W 0- 002
W 0- nrB
Y A- 90"
PAGE:
fHBLIOGPAPHY ICONT INUEO)
Verhoek, F. R., and F. Daniels, "The Dissociation Constants of
Nitrogen Tetroxide and of Nitrogen Trioxide II J. Amer. Chern Soc
53, 1250-63 (1931). ,. .
VON WARTEN9~RG. 7. ANURG. CHE~., VOL. 71. P. 1127 (1911).
J. S. WARNER. J. ELECTROCHEM. SOC.. VOL. 1111. P. ;/\ 11%71.
WAG~AN. n.D..Er ~L.. SELECTED VALUES OF CHEMICAL THERMODYNAMIC PROPER-
TIES. TABLES FOR ELEMENTS 35-53. TECH. NOTE 270-". 11%9).
Wagman, Donald D., Private Communication (January 15, 1971).
WAG:-
-------
APPENDIX
-------
Mn(N03):a
COMPOUND VALUE (KCAL!MOLE)
-137.73
-137.73
-166.32
-142.6
TABLE I (cont'd.)
COMPOUND VALUE (KCAL!MOLE)
Fe(N03)3
.9H:aO
CsN03
Co(N03) :a
-785.2
-784.4
-783.7
-121.8
-118.1
-118.11
-100.5
-102.9
-102.9
TABLE I
CONFLICTING VALUES FOR THE STANDARD HEAT
OF FORMATION OF INORGANIC COMPOUNDS
REFERENCE
WA-901, WA-912 (EW-901)
ST-926 (WA-901)
RO-907 (EW-901,GU-911)
RA-002
REFERENCE
WA-901, WA-912 (BE-928)
RO-907 (BE-928)
LA-90B (RO-907)
ST-926 (WA-901, WA-918)
LA-908
RO-907
WA-901, WA-912 (GU-911)
RO-907 (GU-911)
PL-903
REMARKS
Both reported values were
based on the same data, but
they differ by approximately
30 kcal.
Ewing (EW-901) calori-
metrically measured the heat
solution and the heats of
dilution up to 24m for
Mn(N03):a' Guntz (GU-9l1) also
measured the heat of solution.
In a private communication
(WA-912) Wagman stated the
reference used in his compila-
tion (WA-901), but did not cite
the values used to calculate
the heat of formation from
Ewing's solution data. Rossini
(RO-907) gave no further infor-
mation concerning the calculation
of his value.
The value which agreed
closest with the Radian esti-
mate (RA-002) was accepted.
REMARKS
All three reported values
were based on Berthelot's
measurements. Lando1t-
Boernstein (LA-908) cites
Rossini's; but Rossini's
compilation (NBS Circular
500) was revised by
Wagman (WA-901).
The most recently calcu-
lated value was adopted.
Stern (ST-926) cites an
unpublished value of
Wagman's NBS compilation
series (WA-90l, WA-9l8).
This series is an ongoing
revision of NBS Circular
500 (RO-907) which reports
a value in agreemen t wi th
that given by Landolt-
Boernstein. The revised
value was accepted.
P1ekhotkin (PL-903) stated
that the value he gives has
been reported in reference
books, but he does not give
the reference. Guntz (GU-911)
measured the heat of dissolu-
tion of Co(N03):a by calorimetry;
his data served as the basis for
determinations of the heat of
formation by Rossini (RO-907) and
Wagman (WA-901, WA-9l2). Both
are National Bureau of Standards
ACCEPTED
VALUE (KCAL/MOLE)
-137.73
Page 2
ACCEPTED
VALUE (KCAL !MOLE)
-785.2
-121.8
-100.5
-------
TABLE I (cont'd.)
COMPOUND VALUE(KCAL~OLE)
Ni(N03) a
I
I Ca(NOa) a
-99.2
-102.2
-101.5
-177 . 2
-178.3
-178.3
, TABLE I (cont'd.)
: COMPOUND VALUE (KCAL/MOLE)
Ba(NOa)a
Ba3Na
-183.6
-174~0
-187.6
-86.9:1:8
-86.9
-89.10:1:21
-89.900
REFERENCE
WA-90l, WA-9l2 (GU-9ll)
RO-907 (GU-911)
PL-903
ST-926 (WA-9l8)
RO-907 (DO-9l0)
PL-903
REFERENCE
ST-926
RO-907
PL-903
KU-903
RO-907
LA-908
KE-91l
(WA-9l8)
(BE-928,
BU-918,
DO-911)
BE-930,
DO-9l0,
(RO-907)
(GU-904)
(WE-9l9 [GU-904])
(LA-9l6 [GU-904])
REMARKS
publications, but Wagman's
technical notes are an
ongoing revision of Rossini's
compilation.
Wagman's value was adopted.
See remarks for Co(N03)a'
Stern (ST~926) cites a
value reported by Wagman
(WA-9l8) who is in the
process of revising NBS
Circular 500 (RO-907).
However, Ca(NOa)a was not
included in Wagman's com-
pilation. In Stern's
bibliography there was a
statement that sometimes
REMARKS
he reported values of
Wagman not yet published.
Assuming that this was the
case for Ca(NOa)a Stern's
value was accepted.
Plekhotkin's reference
is not clear (see remarks
for Co(N03)a)'
See remarks for
Ca(NOa)a' Stern's value
was accepted.
Guntz (GU-904) in his
1923 article describes his
determination of the heat of
formation. The heat of solu-
tion of Ba3Na in hydrochloric
acid was measured by calorimetry.
The data were then employed in
a Hess cycle to obtain the heat
of formation.
Landolt-Boernstein
(LA-9l6, LA-908), Kubaschewski
(KU-903), Rossini (RO-907), and
Kelley (KE-9ll) all base their
values on Guntz's data, using
redetermined values in the cycle.
Page 3
ACCEPTED
VALUE(KCAL~OLE)
-99.2
-177.2
Page 4
ACCEPTED
VALUE (KCAL/MOLE)
-183.6
-86.9
-------
TABLE I (cont'd.)
COMPOUND VALUE (KCAL/MOLE)
AlN
-76.0
-76.0
-76.5:1:1. 0
-76.48
-57.7
-57.4
-71.8:1:2
TABLE I (cont'd.)
COMPOUND VALUE (KCAL/MOLE)
REFERENCE
ST-906
WA-918
KU-903
LA-908
RO-907
KE-911
LI-908
REFERENCE
(NE-907, MA-946)
(NE-907~
(NE-907
(NE-908
(NE-908)
tiN -80.7:1:1 ST-919 ~HU-908, NE-909)
-80.5:1:1.5 ST-906 NA-935}
-80.4:1:0.8 KU - 903 (HU-908, HU-909,
HU-903, WE-9l9)
-79.4 LA-908 (HO-919)
-73.0 RO-907 (NE-909)
-80.2:1:0.2 MA-943 (HU-908)
VN
-51. 9:1:2.5
-41.42
-41.
-41.430
KU-903
LA-908
RO-907
KE-91l
(MA-947, MA-948)
(KE-911)
(KE-911)
(SL-905, SL-906)
REMARKS
Page 5
ACCEPTED
V AWE (KCAL /MOLE)
Kubaschewski's value was
adopted here because 1) the
author states an error estimate,
and 2) Lando1t-Boernstein
references an early Kubaschewski
work (WE-919) which was later
revised.
The JANAF Thermochemical
Tables (ST-906) adopted an
average of the values reported
by Neubauer and Margrave (NE-907)
in 1957 and by A.D. Mah (MA-946)
in 1961, both of which were ob-
tained by calorimetric measure-
ments. Kubaschewski (KU-903)
and Lando1t-Boernstein (LA-908),
having accepted Neubauer's data,
agree closely with the JANAF value;
-76.0
In 1932, Neumann, Kroger, and
Haeb1er (NE-908) reported a much
lower value, which was adopted by
Kelley (KE-911) and Rossini (RO-907).
The latter, a National Bureau of
Standards publication, has recently
been revised by Wagman (WA-9l8),
who agrees with the JANAF tables.
In a 1962 article, Dreger and co-
workers (DR-901) reviewed the heat
of formation data published for
AlN, and they stated that Neumann's
data are in error, but do not give
any reason for this decision.
Linevsky (LI-908) recently
reported a value determined by
REMARKS
Page 6
ACCEPTED
VALUE (KCAL/MOLE)
vapor pressure measure-
ments; only the abstract
of this article was obtained
The JANAF value was
adopted.
The most recent JANAF value
(ST-919) was selected because Stull
averages Humphrey's latest data
(HU-908), Humphrey's data corrected
for anatase, and Neumann's data
(NE-909). This includes nearly
all the reported values. The
earlier JANAF value (ST-906) was
revised by Stull. Hoch's data
(HO-919) were rejected by Stull
because of large uncertainties in
comparison to Humphrey's calori-
metric data (HU-903, HU-908,
HU-909) .
-80.7
Slade and Higson (SL-905, SL-906)
studied the thermal dissociation of
VN. Kelley (KE-9ll) applied an
estimated entropy value to Slade's
data to obtain the heat of forma-
tion. Kelley's data are rejected
because they are based on an esti-
mated value.
None
Mah's reports (MA-947, MA-948)
did not contain any data on the
compound in question. Therefore
we could not accept Kubaschewski's
data.
-------
IABLE 1 (con'td.)
COMPOUND VALUE (KCAL/MOLE)
Cr:aN
-30.5
-23.4
-27.3:1:0.8
-25.30:1:14
-26.72
-30.8:1:1.1
-23.500
TABLE I (cont'd.)
COMPOUND
VALUE (KCAL/MOLE)
-61. 5
-60.6
-81.
MneN:a
MnsN:a
-48.2:1:0.6
-48.2
-48.8
-57.8
-57.77
REFERENCE
WA-90l
RO-907
KU-903
LA-908
Ml-906
MA-943
SE-9l0
(MA-943)
(SA-9l6)
(KU-906)
REFERENCE
WA-90l, WA-9l2 (MA-933)
LA-908 (MA-933)
RO-907 (SA-9l7)
MA-933
LA-908 (MA-925)
WA-90l
RO-907 (NE-908, NE-9l0,
SA-9l7)
KE-91l (NE-909)
REMARKS
A.D. Mah (MA-943) measured
the heat of formation of CraN
by combustion calorimetry.
She reviewed the data previously
reported by Sano (SA-9l6) and
Seybolt and Oriani (SE-9l0),
stating that their results could
not be compared with her own since
no heat capacity data are available
for the temperatures at which they
worked. Sano's article has not
been translated from Japanese,
and so was not read. Seybolt
and Oriani measured the solu-
bility and activity of nitrogen
in the Cr-N solid solution.
Rossini (RO-907) adopted the
data of Sano, but Wagman recently
revised that compilation, and
based his value on Mah's work.
Landolt-Boernstein referenced
a 1959 work of Kubaschewski, who
later revised this value upward
and reduced the error estimate.
T. Mills (MI-906) carried out
a thermogravimetric study of the
compound in question. However,
we were not able to investigate
this source further because the
report was not available.
The accepted value was
Wagman's, based on Mah's research.
REMARKS
Wagman (WA-90l) and Landolt-
Boernstein (LA-908) base their
values on experimental work
carried ou t by A. D. Mah. Her
report (MA-933) was read; she
determined the heat of formation
of Mn4N by combustion calorimetry
to be -30.3:1:0.4 kcal, which
Landolt-Boernstein apparently
doubled to get tHo for MneNa. In
a private communi~ation (WA-9l2),
Wagman states the source of his
data, but does not describe
calculations employed. It seems
possible that, after doubling
6Ho for Mn4N, an additional
in~ement was added to account
for a heat of reaction for
2 Mn4N +! MneN a
Rossini's value was rejected
because 1) Mah's data had not yet
been published, and 2) Wagman's
compilation updates the 1952 value.
Wagman's value was adopted.
A. D. Mah (MA-933) determined
the heat of formation of MnsNa by
bomb calorimetry. Her results were
published in 1958, six years after
Rossini's compilation (RO-907).
Although Wagman's (WA-90l) source was
not reported, it appears that it
probably was Mah's data.
Mah's original results were
accepted.
Page 7
ACCEPTED
VALUE (KCAL/Mr9 ~)
-30.5
Page 8
ACCEPTED
VALUE (KCAL/MOLE)
-61. 5
-48.2
-------
TABLE 1 (cont'd.)
('nM~
Zn sN :a
MO:aN
VALUE (KCAL/MOLE)
-5.4
-6.9
-5.3:2.0
-5.31
-19.5%0.3
-19.50
-16.6:2.1
-16.6 %0.5
-16.6%0.6
TABLE I (cont'd.)
COMPOUND VALUE (KCAL/MOLE)
BesN :a
-140.6%0.3
-140.6%0.6
-136. :r6
-134.70
-134.7%5.0
-135.7
-133.5
REFERENCE
WA-918
RO-907 (JU-902)
KU-903(WE-919)
LA-908 (WE-919)
MA-943
WA-901, WA-912
LA-908 (KU-906
KU-903 (KU-907
NE-909
REFERENCE
~T-918
ST-906
HO-910
lA-908
Ku-903
Ro-907
KE-911
fMA-943)
NE-909 ])
[NE-909 ])
(GR-911)
(GR-911)
~KU-906)
WE-919)
NE-908, NE-909)
(NE-908)
REMARKS
RO-907 was eliminated
since Juza's value (JU-902),
obtained by solution calori-
metry was high compared to other
reported values. Landolt-
Boernstein (LA-908) and
Kubaschewski (KU-903) adopt
a value reported earlier by
Weibke and Kubaschewski
(WE-9l9) which was unavailable.
Wagman's revision (WA-9l8) of
Circular 500 (RO-907) is the
accepted value because it is
the most recently redetermined
value.
The values reported in
the compilations are based
on two similarly conducted
experiments done by Mah
(MA-943) and Neumann and co-
workers (NE-909). The heat
of combustion of MO:aN was
measured using bomb calorimetry;
MO:aN( )+30:a(g)- ZMoOs(c)+~N:a(g).
Mah cgfubined this value with
her previously determined standard
heat of formation of MoOs to
obtain the heat of formation
for the nitride.
Neumann also measured the
heat of reaction for the com-
bustion of molybdenum metal.
REMARKS
ZMo + 30:a ~ 2MoOs
By combining the two
equations, he obtained the
heat of formation for MO:aN.
Mah's value was accepted
because of the higher purity
of the MO:aN used and avail-
ability of the standard heat
of formation of MoOs.
The 6Ho in the JANAF
Thermochemical Tables (ST-9l8,
ST-906) is a weighted mean
value of data from Gross,
et al. (GR-9ll) and the same
data with JANAF's corrected
value for ammonia. Gross and
coworkers measured the heat of
chlorination of a-BesN:a to
a-BeCl:a. and the heat of reac-
tion of Be with ammonia.
Hoenig and Searcy (HO-9l0)
have investigated the decomposi-
tion reaction.
BesN:a(c) = 3Be(g) + N:a(g)
using the Knudsen technique.
Stull, using 2nd and 3rd law
methods, analyzed the data
obtained and rejected the
results (ST-9l8).
Page 9
ACCEPTED
VALUE (KCAL/MOLE)
-5.4
-19.5
Page 10
ACCEPTED
VALUE (KCAL /MOLE)
-140.6
-------
TABLE I (cont'd.)
COMPOUND VAUJE(KCAL/MOLE)
REMARKS
REFERENCE
Lando1t-Boernstein
(LA-908) adopted a
value reported by
Kubaschewski and Evans
(KU-906) in 1959. However,
in Kubaschewski's 1967
compilation, a 1943 value
reported by Weibke and
Kubaschewski (WE-919)
was adopted and a large
error estimate was given.
The original literature was
not obtained.
-Kg11ey's 1937 compila-
tion (KE-911) cited an
out-of-date 1936 Lando1t-
Boernstein publication
based on data reported by
Neumann, Kroeger and Haeb1er
(NE-908) .
Rossini (RO-907) accepted
a combination of data reported
by Neumann et a1. (NE-908,
NE-909).
SraNa
-91.3%4.
-93.4:1:5.0
-93.4
lA-908 (WE-919)
KU -903 (RO-907)
RO-907 (GU-904)
The accepted value was
JANAF's.
The value reported in
Kubaschewski's later compila-
tion (KU-903) and in NBS
Circular 500, (RO-907) based
on solution calorimetry data
of Guntz and Benoit (GU-904)
was accepted. Lando1t-
Boernstein (LA-908) adopted
TABLE I (cont'd.)
COMPOUND VALUE (KCAL/MOLE)
REMARKS
REFERENCE
a value reported in 1943
by Weibke and Kubaschewski
(WE-919). The latter was
unavailable. Thus, no check
on the original source could
be made.
Page 11
ACCEPTED
VALUE (KCAL/MOLE)
-93.4
Page 12
ACCEPTED
VALUE (KCAL/MnT.1<')
TaN -60.0:1:.6 LA-908 fMA-949) Mah and Gellert (MA-949) -59.0
-59.0:1:1. 2 KU-903 MA-949J KU-907, determined the heat of forma-
NE-909 ) tion of TaN by combustion
-58.2 RO-907 (NE-909) calorimetry. Lando1t-Boernstein
(LA-908) accepted this value with-
out any corrections. Kubaschewski
(KU-903) however adopted a value
obtained by averaging Mah's data
with that reported by Neumann,
Kroger and Kunz in 1934. Rossini's
value (RO-907) based on Neumann's
data was not accepted because at
the time of publication of his
work, Mah's data were not
available.
Kubaschewski's average was
accepted.
Mg(OH) a -221.0:1:0.5 ST-9l8 Since Kubaschewski's value
-221.0:1:0.7 ST-906 seemed questionable, we checked
-221.0 RO-907 his source, NBS Circular 500
-220.9 lA-908 (RO-907). But the reported value
-8.85:1:0.2 KU-903 (RO-907) did not agree with the value
reported by Kubaschewski.
-------
TABLE 1 (cont'd.)
f'nMtUUND
VALUE (KCAL/MOLE)
Ca(OH)a
-237.5:1:1.5
-235.7
-235.8
Fe(OH)a
-137.2:1:0.7
-136.0
-135.8
-135.8
TABLE 1 (cont'd.)
COMPOUND VALUE (KCAL/MOLE)
REFERE~CE
KU-903
LA-908
RO-907
~HA-936)
RO-907)
TA-9ll, SC-Y19,
SC-920, MO-913)
ST-918 (FR-913)
WA-901, WA-912 (FR-913,
TH-908)
RO-907 (FR-913, TH-908)
LA-908 (RO-907)
REFERENCE
Page 13
REMARKS
ACCEPTED
VALUE (KCAL/MOLE)
After eliminating
Kubaschewski's value,
we selected the value
agreed upon by Stull
(ST-906, ST-918) and
Rossini (RO-907).
Kubaschewski's value
(KU-903) was acce~ted here
because 1) Hatton s (HA-936)
is the most recently
determined value (1959) and 2)
he is the only author to give
limits of accuracy. Note
that Hatton's data were not
available to Rossini at the
time of publication of his
compilation (RO-907) in 1952.
-237.5
Fricke and Rihl (FR-913)
investigated the heat of
combustion for the reaction
Fe(OH)a(c)+~a(g)=~Fe203(C)+HaO(~)
and found it to be -29.8:1:O.b5 kca1/mole.
From these data Stull (ST-918)
aetermined the heat of formation,
including an estimate of error.
J. Thomsen (TH-908) measured
the enthalpy changes of the
following reactions:
Page 14
REMARKS
ACCEPTED
VALUE (KCAL/MOLE)
Reaction 6»°R, 291~
FeC1a(c)=FeC1a(400 HaO) -17.9 kca1/mo1e
FeC1a(200 H 0)+HaS04(200 HaO)=
FeS04(200 ~aO)+2HC1(200 HaO)-3.6 kcal/mo1e
FeS04(aq)+2KOH(aq)=
Fe(OH)2(C)+KaS04(aq)
-6.34 kcal/mo1e
Stull, in his dis-
cussion of Fe(OH) ,
refers to Thomsenis data.
He points out that
Thomsen's results depend
on the assumption that in
his second reaction, 200
moles of water are present.
Stull rejects the data on
this basis.
Using the data of Fricke
and Rih1 and Thomsen,
Rossini (RO-907) calculated
6»°f' This value has been
redetermined by Wagman
(WA-901) .
We agree with Stull's
comments, and accept the
value he reports based on
Fricke and Rih1's data.
-------
TABLE I (cont'd.)
COMPOUND
Co (OH)a
Cu(OH)a
VALUE (KCAL/MOLE)
-129.4
-129.0
-131.2
-105.9
-107.64%2.0
-107.5
-107.2
TABLE I (cont'd.)
COMPOUND VALUE (KCAL/MOLE)
REFERENCE
GE-903
WA-901, WA-912 (TH-908)
RO-907 (TH-908)
GE-902
ST-918
WA-901
RO-907
(MY -901)
(FR-914. TH-908,
SA-918, DE-914,
BO-914)
REFERENCE
N aOs(g) +20.0 RO-907
+17.5%4.5 CO-913 (AB-902)
+20.0 LA-908
+19.8 ST-906 (BE-9235 AB-902,
VE-905
+20.0 HI-906
REMARKS
Gedansky, Bertrand, and
Hepler (GE-903) recently
determined the heat of forma
tion of Co (OH)a from calori-
metric measurements of the
heats of precipitation and
solution of the compound.
Wagman (WA-901) and
Rossini (RO-907) both base
their values on J. Thomsen's.
data (TH-908) published in
1882-86. Wagman's value
revises Rossini's, and agrees
well with Gedansky's data.
Gedansky's value was
accepted.
Gedansky et a1. (GE-902)
recently measured by calorimetry
the heat of solution of Cu(OH)a(c)
in perch10ric acid, and the heat
of precipitation for the reaction
CuS04 (di1.) + 2NaOH (di1.) =
Cu(OH):a(c) + NaaS04 (di1.)
The author seemed to have accounted
fully for all possible errors.
L. V. My (MY-901) determined the
heat of reaction for the decomposi-
tion
Cu(OH)a(C)=CuO(c)+ HaP (g).
REMARKS
Using reported heats of
formation for CuO(c) and
HaO(g), ~of for Cu(OH)a
was calculated.
Wagman's sources are not
known (WA-90l). In an earlier
NBS compilation, Rossini (RO-907)
cites several references, but
his value was not accepted
because it was revised by
Wagman's publication.
Gedansky's value was
accepted.
Coughlin's value (CO-9l3) was
derived from measured free energy
data and estimated heat capacity
and entropy data. This value was
the only one not in good agree7
ment with the other four.
Hisatune's (HI-906) is calcu-
lated from spectroscopic and
structural data.
Stull (ST-906) recalculated
~R to be 9.7 kca1/mo1e for the
reaction.
NaOs ? NO + NOa
from all the cited equilibrium
measurements.
Stull's value was accepted.
Page 1~
ACCEPTED
VALUE (KCAL/MOLE)
-129.4
-105.9
Page 16
ACCEPTED
VALUE (KCAL/MOLE)
+19.8
-------
COMPOUND
Be3Na
LiOH . HaO
VALUE (E.U .)
8.157
8.17
12
12
17 .07
17.07%0.05
22.
TABLE II (cont' d.)
COMPOUND
Ca(OH)a
Mn(OH).
Co(OH)a
VALUE (E.U.)
19.9%0.0
19.93
19.93%0.1
18.2
23.7
21.1
21.1
22.3
19.
TABLE II
CONFLICTING VALUES FOR THE ABSOLUTE
ENTROPY OF INORGANIC COMPOUNDS
REFERENCE
ST-918 (JU-901)
JU-901
ST-906
KE-911
LA-908 (M-928~
KE-912 (M-928,'
RO-907
REFERENCE
KU-903
LA-908
KE-912
RO-907
(HA-936)
WA-901 WA-912
(FO-9(h, NA-936)
RO-907
LA-908 (RO-907)
GE-903
WA-901 (SI-901)
REMARKS
ACCEPTED VALUE (E.U.)
8.157
The early JANAF
value (ST-906) and
Kelley's value (KE-911)
are not acceptable because
they are estimated.
B. H. Justice (JU-901)
measured the heat capacity
of ~-Be3Na from 25-310oK
by adiabatic calorimetry.
Stull (ST-918) calculated
the absolute entropy by
integrating the data based
on Sa5 = 0.002 e.u.
The more recen t JANAF
value was adopted.
Rossini (RO-907) did not
cite a reference for his
reported entropy value.
Therefore the original source
could not be checked.
17.07
Lando1t-Boernstein (LA-908)
and K. K. Kelley (KE-912) cited
Bauer,Johnston, and Kerr's heat
capacity data (BA-928), which
yielded
S298.15 - S16.00 = 17.04
and S16.00 = 0.03 (by extrapolation).
The sum is 17.07%0.05 (KE-912).
Page 2
REMARKS
ACCEPTED VALUE (E.U.)
The value agreed
upon by three of the four
compilations was se1ect~d.
This value was calculated
from heat capacity data
measured by Hatton and
coworkers (HA-936).
19.9
Lando 1 t-Boerns tein
(LA-908) references NBS
Circular 500 (RO-907).
An attempt was made to
check the source, but no
reference was given in
the latter publication.
Therefore Wagman's value
(WA-901) was chosen. It
was calculated from free
energy data obtained from
the solubility measure-
ments of Fox et a1. (FO-903)
and R. Nasanen (NA-936).
23.7
Wagman (WA-901) used the
free energy data of Si11en
(SI-901) to calculate the
absolute entropy of Co(OH)a(c).
Gedansky et a1. (GE-903)
derived their value from
reported heats of formation
of Co(OH)a, Co+~ and free
22.3
-------
TABLE II (cont'd.)
COMPOUND
VALUE (E.U .)
Cd(OH)a
23.
22.8
22.8
21.5%0.5
REFERENCE
WA-9l8
LA-908
RQ-907
KE-9l2
(RO-907)
Page 3
REMARKS
ACCEPTED VALUE (E.U.)
energy data. Since
Gedansky's value for
6Hf for Co (OH)a was
adopted, his entropy
value was selected in
order to keep the data
base as internally
consistent as possible.
Landolt-Boernstein (LA-908)
cites Rossini's value (RO-907)
but Rossini does not give a
reference.
Kelley's value was elimi-
nated because it was estimated.
It is not known what source
Wagman (WA-9l8) used, because
the bibliography for his compila-
tion has not yet been published.
Wagman's value was selected.
23.
-------
------ ----
DATE 6 OCT. 1971 t'AGE: 1
TABLE OF CONTENTS
CHEMICAL COMPOUND DATA FILE
IIG AL2ITI03).3 2 BA3N2 BI211/20&)3
AGN02 IIL21V206)3 t3E BI2IWO~)j
AGN03 AL.2IWOII)3 BEAL2011 2 BOIGAS)
AGI/03 liS BECOj ASIGA51
AG2AL2011 AS203 t3ECROIl 8203
AG2C03 ? 115205 t3ECR2011 A2S3
AG2CROII AS2S3 REFE201+ C
AG2CR2011 2 AS2S5 BEMOOII CA
AG2FE2011 2 AS21C0313 BEO CAAL20~
/lG2MOOIl 2 A$21S0313 BES 2 CAALII07
AG20 2 AS21S01113 BES03 CAC03
AG2S B I:!ESOII CIICROII
AG2503 BA BETI03 CACR2011
AG25011 BAAL2011 8EV206 CAFE2011
AG2TI 03 8AC03 I:!EWOII 2 CAM003
A62WOII BACROII SEIN02):? CAMOOII
AL BACR2011 BE(N03)2 CAO
ALN BAFE2011 BEIOHI2 CAS
2 All N02) 3 2 BAM003 BE3N2 CAS03
ALlNOj)j BAMOOII BI CASO~
ALIN03)3.&tl20 8AO 2 BIIN0213 CATI03
:? All N03) 3. 9H20 BAS I:!IIN0313 CAV206
? All Ottl3 BAS03 2 BIIOll13 C/lwOIl
AL.203 BASOI! 81205 CAIN02)2
2 AL2S BATI03 012S5 CIIIN0312
AL253 BIIV206 0121AL201113 2 CAIN0312.2H20
AL2TI 05 BA~IOI! I:!I21C0313 2 C/lINO.j12..jH20
IIL21C0313 HfdN0212 fJI21CROl!13 2 CAIN03)c.'+H20
AL21CROll13 2 BAIN02)2.H20 t312ICR20,+)3 CAIOH)2
AL2(CR2011)3 BA(N03)2 BI2(FE2011)3 CA2FE2Q5
AL21F(2011)3 2 BAIOHI2 tH 2 I MOOII ).3 CA3:IJ2
AL2IMOOII)3 ::> BAIOH)2.H20 BI21S031.3 CO
A1.2(50313 2 8AIOH)2.8H20 812(501115 CDAL2011
AL2(501113 2 BA2TIOII BI21TI0313 CDC03
1 INDICATES ADDITION OR REVISION
2 INDICATES INCOMt'LETE OATil
DATE 6 OCT. 1';171 PAGE: :?
TAOLE OF CONTENTS
CHEMICAL. COMPOUND OATA FILE
CDCRO~ 2 CUS4 2 CRIN03)3 CUCR20~
CDCR2011 CO 2 CRIN03)6 CUFE02
CDFE204 COAL2011 2 CRIOHI3 CUFE204
COM004 COC03 2 CR2N CU,"1004
COO COCROI! CR203 CUN02
CDS COCR204 2 CR207 CUN03
CDSQ3 COFE2011 2 CR2S3 CUD
COS04 COMOOII 2 CR2IC03)3 CUO*CUSO'+
CDTI03 2 CO~POUNO 2 CR21S0313 CUS
COV206 COO 2 CR21S01113 CUS03
COw04 CDS CS CUS04
COIN0212 CuS03 2 CSN02 CUTI03
COIN03)2 COSo'! CSN03 CUI/03
2 COIN0312.2tt20 COTI03 2 CSN03.4H20 CUI/206
2 COIN0312.IIH20 COV206 2 CSOH CUWOII
2 COIOHI2 COW04 2 CSOH.H20 CUIN02)2
2 C03N2 COIN0212 CS2AL.2011 CUIN03)2
CE CO (tJn3) 2 2 CS2C03 2 CUINO~12.3H20
2 CEN " COIN0312.2H20 CS2Ct\04 2 CUIN03)2.6H20
CE02 2 COINO~12.3H20 CS2CH04 CUIOH)2
2 C£S 2 COIN031
-------
-- -".---- -
DATE 6 OCT. 1971 PAGE.: .3
TABLE OF CONTENTS
CHE~ICAL COMPOUNO DATA FILE
FEAL201f F£2IWOIfI.3 IR LA2S3
FEC03 F[304 IR02 2 LA2IC0.3)~
FECR04 FE4N IRS2 2 LA.2IS03)~
FECR201f 611 2 IRS3 LA21S04P
FEM004 2 GAN 2 IRISOIfI2 LI
FEO ? GAS 2 IR2S3 LIAL02
FES 2 GAIN0213 K LIFE02
FES03 2 GAIN0313 KAL02 LIN02
FESOIf 2 GI\IOHI3 KFE02 LIN0.3
FES2 GI\;'03 KN02 2 LIN0.3..3H20
FETI03 GA2S.3 KNO.3 LIOH
FEV206 2 Gi\2IC03)3 KOH LIOH.H20
FEW04 2 GA2(S0313 2 KOH.H20 LIVO~
FEIN0212 2 GA21$01f13 2 KOH.O.7SH20 LI2C03
2 FEnJC213 GE 2 KOH.2H20 LI 2CROif
FEIN0312 2 GEOIGASI KV03 LI2CR201f
2 FEIN0312.6H20 GE02 K2C03 LI 2M004
FEIN0313 GES K2CROif LI20
2 FEIN03)3.9H20 2 GES2 K2CR201f LI2S
2 FEIOHI2 <' GEIC0312 K2MOOif LI2S03
FECOHI3 ? GlC S03) 2 K20 LI2S01f
FE2N 2 GEISOlf12 K2S LI2TI03
FE203 2 GE3N4 K2S03 LI2W04
2 FE2TI04 HF- K2S04 LI3N
2 FE:2TI05 2 dFN K2TI03 ~G
FE21AL201f13 HF02 K2WOlf MGAL201f
FE21C0313 2 HFS2 LA ~GC03
FE21CRC413 2 HFIC0312 2 LAN MGCROIf
FE21CR201f13 2 HFIN0214 2 LAS MGCR201f
FE21MOOlf13 2 HFIt,0314 2 LAS2 MGFE201f
FE21S0313 2 HFISMI2 2 LAIN0213 plGMOOIf
FE21S01f13 2 HFIS0412 LAIN03)3 MGO
F~2ITI03)3 tt2 2 LAIN03)3.6H20 MGS
FE21V206)3 H;':OIGASI LI\203 MGS03
1 INDICATES ADDITION OR REVISION
2 INDICATES INCOMPLETE OATA
DATE 6 OCT. 1 '371 PAGE: 4
TABLE OF CONTENTS
CHEMICAL COMPOUNO DATA FILE
MGSOIf 2 MNIN0312.6H20 NAAL02 2 NB21S031S
MGTI03 MNIN0313 NACL 2 NB21S01f1:J
MGTI205 2 MNIN0311f NAFE02 NI
MGV206 2 MNIOHI2 NAN02 NIAL204
MGW04 2 MNIOH)3 I\iAN03 NIC03
1% 1 N02) 2 2 Mf\iISCIf12 NAOH NICROIf
MGIN0312 MN203 2 NAOH.H20 NICR201f
2 MGIN0312.2H20 MN21 AL.204) 3 2 NAOH.2H20 NIFE201f
2 MGIN0312.6H20 M~121C03103 2 NAOH.3H20 NIMOOIf
MGIOHI2 MN2ICR04)3 2 NAOH.3.5H20 NIO
2 MG2TIOif MN21CR201f13 2 NAOH.IfH20 NIS
MG3N2 MN2(FE201f13 2 NAOH.5H20 NIS03
MN MN21MOOlf13 2 NAOH.7H20 NISOIf
MNAL201f MN21S03)o3 NAV03 NITI003
MNC03 MN21S0lf)3 NA2C03 NIV206
MNCROIf MN21TI0313 r~A2CROIf NIwO"
I',NCR201f MN21V20613 NA2CR201f NIIN02)2
IVlNFE201f MN21W0413 NA2M004 NIIN0312
MNM004 2 MN3N2 NA2M0207 2 NIIN0312.~H20
MNO MN30Q NA20 2 NIIN0312.6H20
I~N02 MNIfN NA2S 2 NIIOHI2
MNS 2 MNSN2 NA2S03 2 NIICH)3
MNS03 2 MN8N2 NA2S04 2 NI3N
MNS04 MO NA2TI03 NI3S2
MNS2 2 1'1002 2 NA2TI20S NOIGI
f~NTI03 1'1003 2 NA2TI307 N021GI
MNV206 M052 NA2WOlf N2031GI
MNWOQ ~'OS3 NA2W207 N201f1G)
MNIN0212 2 MCIC03)3 "'B N205
2 MNIN0213 2 MOIS0313 2 NBO N2051GI
2 MNIN0211f 2 1'10(504)3 2 NB02 N21GASI
MNIN03)2 M02N M!20S 02
2 MNINOjI2.jH20 2 M02S3 2 NB2S5 PB
2 i'1NIN0312.IfH20 NA 2 NB21C031S PBAL204
1 INDICATES ADDITION DR R~VISION
2 INDICATES INCOMPLETE DATA
-------
DAT~ 6 OCT. 1971 PAGE: 5
TABLE or CONTENTS
CHEMICAL COMPOUND DATA FILE
PBC03 2 RBOH. 2ti20 SB201+ SNS2
2 PBC03*PBO RB2C03 2 SB205 SNIAL201+12
2 PI3C03*2PBO 2 Ro2D SH2S3 SNIC0312
PBCROI+ 2 RB2S SB21AL201+13 SNICROI+I
TABLE OF CONTENTS
CHEMICAL COMPOUND DATA FILE
SRWD4 TI UITI0312 2 Y21C0313
SRIN0212 2 TIC03 UIV20612 2 Y21S0313
5RIN0312 TIN UIWOl+12 2 Y21S01+)3
2 SRIN03)2.I+H20 TIO 2 U2S3 ZN
2 SRIOHI2 TI02 U30B ZNAL201+
2 SRIOHI2.H20 2 TIS03 V ZNC03
2 SRIOH)2.8H20 2 TISOI+ 2 VC03 ZNCROI+
2 SR2TIOl+ TIS2 2 IIN ZNCR204
2 SR3N2 2 TI 1 N0212 VO ZNFE201+
SIGASI 2 TI 1 N02 1 3 VOSOI+ ZNM004
TA 2 TIIN02)4 VS ZNO
TAN 2 TIIN0312 2 VS03 ZNO'.2ZNS04
2 TA2N 2 TI IN0313 2 IIS04 ZNS
TA20S 2 TIIN0314 V203 ZNS03
2 TA2S5 2 TI 1501+12 V204 ZN50"
2 TA21C03)5 TI203 V205 ZNTI03
2 TA21S03)5 2 TI21C03)3 2 V2S3 ZNV206
2 TA2 1 SOI+) 5 2 TI 21 S031 3 2 V254 ZNW04
TH 2 TI21S01+13 2 V2S5 ZNIN0212
TH02 TI 305 2 V21C03)3 ZNIN0312
2 THS U 2 V21S0313 2 ZNIN03)2.H20
THS2 U02 2 V21S0413 2 ZNIN0312.2H20
THIAL20"12 U02S01+ III 2 ZNIN0312.4H20
THIC03)2 U03 W02 2 ZNIN0312.6H20
THICR0412 2 US W03 2 ZNIOHI2
THICR20412 US2 WS2 ZN2TI04
TH (FE201+ 1,2 UIAL20412 2 WIC0312 2 ZN3N2
THIMOOl+12 UIC0312 2 WIC0313 ZR
THIS03)2 UICR04)2 2 WIS0312 ZRN
THIS0412 UICR20412 2 WIS03)3 ZR02
THITI0312 UIFE20412 2 IIIIS0412 2 ZRS2
THIV206)2 UIMOOl+12 2 IIIIS0413 ZRIAL20412
THIW0412 UIS03)2 Y ZRIC0312
TH2S3 UISOl+12 Y203 ZRICRO..)2
1 INDICATES ADDITION OR REVISION
2 INDICATES INCOMPLETE DATA
-------
DATe;
6
OCT.
1971
lRICR20'+)~
lRIFE20,+)2
lRI10100'+)2
2 ZRIN02)2
2 ZRCN02),+
2 ZRIN03)2
2 ZRIN03)2.6H20
lRIN03),+
2 lRIOH)'+
2 ZRIOH),+.H20
2 ZRCOH)'+.2H20
ZRIS03)2
ZRISC,+)2
ZRITI03)2
ZRIV206)2
ZRIWO'+)2
2 ZR3N2
PAGE:
TAHLE OF CONTENTS
CHEMICAL COMPOUND DATA FILl
1 INDICATES ADnITION OR REVISION
2 INDICATES INCOMPLETE DATA
7
-------
DATE
6
COMPCUND
IIG
AGN02
AGNO:~
AGV03
AG211L204
AG2C03
I\G2Cn04
AG2CR204
AG2r(204
AG2~1004
AG20
AG2S
AG2S03
I\G2S04
AG2T103
AG2W04
AL
ALN
All N02 I 3
IILlNQ313
ALIN03)3.6H20
ALHJ03)3.9H20
ALlOHliS
AL203
AL2S
IIL2S3
DIITE
(,
COMPOUND
AL2TI05
AL21C03)3
AL2ICROIf)3
AL21CR204)3
AL21FE2011)3
AL2 1 :\10011):3
AL21S03)3
IIL21S0413
AL21TI03)3
AL2IV?06)3
AL21WOIIJ3
AS
AS203
~v205
AS2S3
AS2S5
IIS21C03)3
I\S21S03)3
I\S21S01113
B
BA
81111L204
811C03
BACR04
AACR2011
BArE201f
BAM003
OAMOOIf
OC T.
19"11
HEAT OF
FORMATION
25 DEG.C
KCAL/GMOLf.
.00
-10.77
-29.73
-199.53
-413.&4
-120.88
-172.37
-3011.20
-205.53
-216.60
-7.30
-7.75
-114.40
-170.3&
-239.37
-230.70
.00
-76.00
-190.82
-239.38
"681.30
-697.96
-301f.20
-1100.16
-29.38
-172.8~
OCT.
1971
HEAT OF FORMATION. ENTROPY. AND TRANSITION DATA ICONTINUED)
HEAT OF
FORMATION
25 DEG.C
KCALIGMOLE
-622.9&
-707.03
-849.81
-1236.00
-975.13
-979.92
-661.91
-820.38
-10711.60
-1532.00
-1023.70
.00
-156.91
...21'3.31
-30.00
-35.00
-56&.67
-287.16
-~3&.,H
-51&.32
-350.49
-3U8.7U
-377.04
TABLE V
THER~ODYNAMIC PROPERTIlS OF INORGANIC COMPOUNDS
t
-------
rJATE
6
CC1r>'POIJND
RAO
I3AS
P,ASO~
BAS04
BATI03
BAV:?06
BA~j(14
BIII~I02)2
BAIUC2);:'.1I20
I3AIN(3)<'
RI\(OH)2
[\AICII)2.H20
BII(Orl)2./11120
8A2TI04
8113~12
HE
SCAL204
('[C03
r)ECRO'~
BECR201/
8(FE204
B01004
BrO
BES
13f.503
R(SOI/
rETI03
B[V?'06
F.;E\~04
RE(N02);>
OC T.
1971
IIEIIT OF FOKMIITH1N. ENTROPY, AND TRANSITION OAT A ICO~JTIr~LJ[D)
REFERLNCES
TRANSITIUN O/llA
HfAT TYPL KLFLKlNCFS
KCAl.1
GMOLE
HEAT OF
FORMATION
2<; DEG.C
KCALIGMULE.
-132.07
-lU6.00
-2A2.60
-.54~.9'"
-394.60
-567..5/1
-4Ub.Ou
-).83.60
-2~4.5()
-237.11
-226.10
-299.00
-799.50
-86.90
.00
-542.99
-246.89
-C'94.44
..424.43
-335.85
-5.37.96
-143.03
-~5.90
-232.20
-2/15.65
-368.42
-521.71
-.552.,+5
-136.65
KEF ERENCE S
LA-001.CII-OO,?
CA-019.TK-010
Nt3-UU:"
LII-Glll
CA-063.TR-002
TK-002
cr,-025
ST-926,RII-001
f{O-~07
81-':126
LA-90£l
RU-90"
RO-907
KU-903.RII-001
TR-002.CII-065
TR-002
TK-lJ02
TR-002
TK-002
TR-002
LA-OOI
Ku-001.NB-003
TR-002
NO-00:5
Tt<-(j(12
TR-002
TR-(jC,~
RA-OOc'
A13S0LUTE
ElnROPY
C Al/G!\iIQLf /
OEG. ~
16.79
20.90
28.6U
31..49
25.78
45.7(1
3;:>. CJO
43.70
51.10
47.00
36.30
2.2.'
19.18
15.0':1
?A.7';:;
23.82
25.97
:?4.57
3. ,!,7
8.40
1':1.20
18.62
17.21
36.38
23.50
34.~0
PIIGe:
3
TEMP.
l1EG.C
LIl-OOl
1923.00
;>700.00
15.78
S-L
L-(:i
LA-UU1
LA-001.TK-OIO
TR-lJ03
LII-C'(;l
1150.00
1350.00
9.70
S-s
S-L
LA-001.CA-002
LA-DOl
TR-003
(A-025
HA-OOI/
275.00
S-L
8T-926
ST-926,KE-912
595.00
2'16.00
4U8.00
3.72
S-L
S-S
S-L
6.00
LA-908.RO-907
MI-':I07
KU-001
LA-908
LA-001
TR-uo3
TR-003
11<-003
TR-003
TR-003
TR-OD3
L/I..OOl
1283.00
2.99
S-L
LA-001
2550.00
4120.00
16.99
S-L
L-G
LA-UOl
KU-001.lA-00l
TR..003
CII-005
l'R-003
TR-003
lR-ClJ3
RII-OG4
3.30 \ S-S
880.00
CA-005
DATE 6 OCT. 1971 HEAT OF FnRMATION. ENTROPY. AND TRANS I TJ O~I nllTA (CONTINUED) PAGE: 4
COMPOllrHl HEAT OF R.UEi(13 -J38.:lI) Lt.-Onl.NS-OOI 36.12 LA-ODl.NI3-001 704.00 S-S LA-OUl
817.00 6.81 S-L
I3I2S3 -43.80 NB-003.wI-00l 35.30 NS..003
8I2IAL2(14)3 -1549.30 TR-002 78.2v KE-OOl
~r2Ic(3)3 -476.57 TR-002 55.20 TR-003
PJ2(CfH:4)3 -618.62 TI~-u02 1UF;.4C f:E-C'Ol
812(02011)3 -1024.00 TR-002 96.20 K£-OOl
BI2IF[2DII)3 -727.92 TK-002 106.40 K£~OOl
JI2IMO(4)3 -749.':16 TH-QD2 79.80 TR-C07
1312(503)3 -1137.28 TK-002 64.20 TR-003
GI2Isr,4)3 -608.1u r,]-001.wI-!101 72.30 TR-[JG3
RI2(TIU3)3 -826.0e TH-002 70.40 KE-001
RPIV206)3 -1300.00 TR-002 1f~3.00 KE-001
QI2IW04):,\ -794.59 TR-002 77.40 TK-007
80( GtI.5) -5.30 LA-001 '16.59 LA-OOl
RSIGAS) -£10.00 JA-001 ';:;1.6~ JII-OJI
8203 -306.10 KU-OOl.TR-OlO 12.86 ~A-OOl 450.00 5.49 S-L LA-OOl
R2S3 -57.00 LA-001.NI3..003 14.61 TR-OU3 310.00 ::i-L LA-001.KU-001
C .00 Jr,-OOl 1.36 JA-001
CA .UU 9.9'1 LA-001 440.00 .24 s~s LA-OOl
850.00 2.07 S-L
CIIALC'C,Ij -';:;55.50 KU-01l1 27..50 KU-001
C!\AI..4r:7 42.5u KU-001
C/lC03 -288.11 LI\-OU1 22.19 LA-OOl
C ,'r'\04 -329.44 L~-OOl 32.01 Lt.-DOl
CIICR2011 -492.40 CA-038 28.82 TK-003
CAFF?C4 -.~b7.;:5 CA-042.TR-010 34.70 KU-I)Ol.LA-001 1240.00 25.85 S-L KU-OOl
I
I
-------
OIlTE
6
COMPOUND
("M'003
CAM004
CI10
CIIS
CAS03
C.'S04
CATI03
CAV?06
CAW04
("II (:~0212
CI\IN0312
CAlr-J0312..2H20
CIIIN0312.3H20
CAIN0312.4H20
CilfOHI2
ClI2FE205
03"12
CD
CDAL204
C D.C 0.3
COCR04
CDCR204
COFE204
CDM004
COO
CDS
COS03
Cl1Si')4
DATE
(,
COMPOUND
CDTI03
COV20(,
CD\~04
CD(~I0212
COINa312
CDlrJ0312.2H20
COINa312.4H20
C!)IOHI2
C0.3N2
CE
CEN
CE02
CES
('E52
CEIC0312
CE (t'J0213
CEINO;ol4
CElrJ0313
CE 1 r,J0314
CEIS0312
CE(S0412
CE203
CE2S3
CE21C0313
CE21S0313
CE21S0413
CE3S11
GO
COIIL:>,04
COC03
OC T.
1971
ilEA T OF FOKMA TI ON. ENTROPY. AND TRIINSI TI Or! DATA 1 CONT H!UEO)
HEAT OF
FORMATION
2:5 DE.G.e
KC"ALlG,"QL.E
-277.80
-3(,9.21
-151.73
-114.20
-275.88
-340.19
-370.00
-558.70
-402.50
-177.20
-224.28
-367.80
-436.90
-509.10
-237.~G
-501.28
-104.30
.00
-466.54
-178.46
-224.10
-361.66
-2511.73
-267.85
-61.18
-34.47
-163.90
-221.20
OCT.
1971
HEAT OF FORMATION. ENTROPY. AND TRANSITION OIlTA ICONTINUEO)
HEAT OF
FORMATION
25 DEG.C
KCAL/GMOLE
-292.23
-451.32
-283.05
-70.71
-10':/.06
-252.30
-394.11
-134.,)0
38.60
.00
-11.90
-233.00
-118.00
-153.90
-468.01
-245.13
-255.8f.\
-306.68
-332.66
.443.14
-560.00
-434.90
..298.70
-953.00
-421.50
.00
-466.50
-173.30
HI::.F-F:Hf.,'JCCS
CII-020
CA-077.TR-OI0
L/I-00l.rJB-003
LA-OOI. TR-OlO
MA-OOI
LA-OOI
CA-055
CII-05U
CA-071.TR-OI0
Sl~92&.HA~001
S1-926
LII-908
LA-906
LA-906
KU-905.RA-001
KU-OOl
LA-908
TR.-UU2
LA-OOl
TH-002
TH-002
TR-002
TR-002
LA-OOl
LA-001.NB-003
CA.-OOI
LA.-OOl
K[FF:HENCES
TR.-002
TK-002
TR-002.I'II-001
RA-002
SI-':/26.WII-'918
WI\-':H8
WA-918
"A-':/18
KU~903.RO-907
LA-908
LA-001.NB-003
KU-001
Nd-uu3
B-002
KA-002
RA~002
RA-002
RA-002
TR.002
Nlh003.WI~001
KU-001.CA-018
Nd-003.KU-001
MII-001
KU-OOl
CA-055
K£-002
flBSOLUTr
ENTROPY
CAL/G~OLf.1
DEG. r<
2~.70
29.30
9.48
13.50
24.20
25.49
22.40
42.8U
30.20
39.30
46.20
64.30
14.10
81.00
19.93
45.10
25.10
12.37
21.18
25.16
37.35
32.42
34.5'7
33.17
13.09
16.9E:>
27.80
29.41
ABS0l.UTr
ENTROPY
CAL/GMOLEI
OEG. K
25.80
4~.98
32.16
42.90
48.20
23.00
16.63
14.89
18.80
18.82
58.80
69.80
31.80
36.00
32.41
51.60
60.60
68.10
7.18
25.48
21.99
KEFERE.NCES
CA-02l
KU-OUl.CA-017
NB..003.LA-001
KU-00l.NB-003
LA-OOl
LA-OOl
KU-001.TR-OlO
CA-052
KU-OOl.TR-OlU
RA-004
LA~9U8.ST-926
LA-908
I..A..908
LA-908.RO-907
LA..90a.KA-001
KU-OOl
LA-90B
LA-OOI
TR-003
LA-Oul
TR-003
TR-003
TR-003
TR-003
LA-DOl
LA-OOl.NO-003
TR-003
LA-OOI
REFERENCES
TR-003
TR-003
TR-003
KA-004
RA..OO.3
..A-918.RA-001
LA-001
CA-066
TR-003
TR-OU3
RA-004
RA-004
TR-003
CA-01~.TR-OIO
TR-003
TR-003
TR-003
TI'\-003
LA-OOI
TR-003
TR-003
TEMP.
OEG.c
2603.00
3570.00
1193.00
1391.00
1260.00
266.00
360.0D
392.00
561.00
51.10
39.10
1195.00
321.00
792.00
859.00
10UO.OO
TEMP.
DEG.C
360.00
59.50
393.00
4..0.00
771.00
1890.00
2050.00
4~~.00
1127.00
1490.00
PAGE:
5
TRII~JSITIUN OIlTA
HEAT TYPE RE.FEHENCES
KCAlI
G,"'OLE
12.23
1.49
2.39
6.69
.55
5.09
1.53
~-L
I..-G
LA-DOl
~-S
~-L
s-s
LA-001,CA-002
KU-001,LA-001
~-S
~-S
S-L
~-L
ST-926
LA-908
S-L
~-L
LA-908.RO-907
LA-908.RO-90'7
S-L
S-L
LA-908.KU-903.
LA-OOI
s-s
~-S
S-L
LA-00l.CA-002
PAGE:
6
TRANSITION DATA
HEAT TYPE H~FERENCES
KCAlI
GMOLE
4.35
7.80
3.U8
.00
.13
3.66
S-I.
~-L
s-s
::i-S
S-I.
S-L
ST-926
S-L
RO-907
S-s
s-s
::i-L
LA-OOl
KU-OOl
KU-OOl
LA-OOl
-------
OCT.
1971
HEAT OF FORMATION. ENTROPY. AND TRANSITION nATA ICO~TINUEDI
DI\TE
6
CQII,Pour'JD
flEIlT OF
FOH"'1A TI 01';
25 OEG.C
KCALlG~1OLl
CClCP(14
COCR20'~
CO.£204
COI"OO'.
CO'1PIJUND
cno
cns
COSQ3
COS04
CGT103
COV206
CN,OIl
COIN02)?
C~)( ~:0312
C()(~)0312.2t120
C(: I f!03 I 2. 3H20
CC I "~3) 2. 4H2~1
CO (r,fn3 J 2. 6H?O
-221.4'.:1
-350.60
-255.26
-265.21
.00
,,57.07
-21.01
-161.15
-211.90
-2B'J.50
-448.11
-280.&1
-63.40
-100.50
-244.o:!G
-316.90
-389.10
-528.4')
CO(OH)2
COIOH)3
~o?
C02S3
C03ri
C0304
C031':4
C~
-129.40
-111.30
..94.01
-51.00
2.00
-216.20
-15.\Je
.00
ClUJ
CR03
CR Pi02) 3
CR(1-jn2J~
CR (~j03 I 3
-29.80
-142.03
KEFEKENCLS
ABSOLUTE
UJTROPY
CIIL/Gt-IQLF/
DEG. K
Kt:.F ERLNCEI':
TR-003
CA-034
KlJ-001. TR-00,1
TR-003
LA-DOl
TH-OU3
TR-003
LA-OOl
CA-O,B
TR-003
TH-Ol',~
RA-004
i/ DATA
HEAT TYPE REFERENCES
KCALI
GMOLE
:s-~
CA-056
TR-U02
C/I-064
TK-002
TR-OU2
35.0~
21.00
62.20
30.87
9.60
1.10
.10
.35
3.49
:S-L
::'-L
LA-DOl
LA-GUI
LII-OOI
~0-OO'+.TR.01(1
TR-U02
AU-OOl. TR-01f1
CII-063.CII-055
TR-002
TR-Ou~
RA-Oll2
tJll-9111.RII-OOl
1'11\-';/01
WA-'JOI
1'111-901
WIl-901
12.65
15.82
25.5U
21.07'
23.8U
42.68
~9. .9(0;
40.60
~5.90
:s-s
CA-002
GE'-906.RA-00l
WA-901
L/I,-OOl
N(3-003
KU-903
LIl-OUl
KLJ-001
22.30
51.03
26.40
2'+.61
:S-L
fW-901
5.68
\-IA-901.KE-'Hl
L/I-001
7.85
11.2U
:s-s
:s-S
:S-L
HO-907.1'0-912
55.20
:s-s
S-L
LA-OUl
S-L
OIlTE 6 OC T. 1911 HEAT OF FORMATION. ENTROPY. AND TRANSITIOn DATil (CONTINUEO) PAGE: 8
cord'Our'JD HEAT OF R[FERENCES ABSOLUTE REFERENCEs TRANSITIUN DATA
FORMATION ENTROPY TEMP. HEAT TYPE Hl.FERENCES
25 DEG.C CAL/G"VIOLf / OEG.C KCALI
KCIIL/GMOLE DEG. K GMOLE
CR(N03)6
CR(OHI3 -254.30 1'111-901
CR2N -60.50 WA-901.RA-OUl
CR203 -212.58 LA-DOl 19.31 LII-OOI 32.80 s-s LA-OUl
2440.UO S-L
CR207 -3'+4.91 L/I-QOl 70.4/\ LA-OU1
CR2S3 25.21 TR-003
CR2(C03)3 'f".4V rR-OQ3
CR2(S0313 53.40 TR-003
CR?!SO't),~ 61.50 TR-Ou,3
CS .00 20.14 LA-OOI 2B.64 .52 S-L LA-OUI
C~N02 -88.69 RA-002 31.4'f RII-OC3 4U6.00 :O-L 5r-926
CSNC3 -121.80 5T-926 35.08 kA-003 151.50 .89 s-s ~'U-912
,+05.50 3.31 S-L
CSN"3.4H20 42.70 :S-L HO-901
CSOH -91.15 LA-908 223.00 1.16 s-s LA-90/!.RO-901
212030 1.61 S-L
CSOH.H20 -186.90 RO-901
csnL2011 -539.18 TR-002 45.80 TK-OU3
CS2C03 -212.51 TK-002 43.23 Tf:\~003 792.00 S-L HE-OOl
CS2CR04 -318.00 'TR-002 58.40 KE-OOl
CS2CR04 -551.92 TR-002 55.00 KE-OOl
CS2FE204 -321016 TR-002 52.86 TK-003
CS2M(1()4 -;354.01 TR-002
CS20 -1b.OO L/I-001.CO-(l01 2'~. 90 TR-Oli3. CO-0(11 4'::10.0U 4.58 S-L CO-OU1
CS2S -B1.1CJ N~-003.KU-OOI 65.14 TR-Ou3
C52503 -266.60 CA-08D 46.20 T,{-003
CS2S04 -339.00 LA-OO] 50.89 TR-003 66'0.00 ::.-$ LA~001.CII-002
122.00 .~O :s-s
1UU'+.GU 9.::.t\ :>-L
CS2TI03 -368.44 TR-002 31.10 TR-OC3
CS2V206 -~)54.30 TR~l)O<, 10.20 KE-OUl
CS2WO,+ -391.00 TR-UU2
CS2(GI 27.55 LA-vOl 56.81 LII-OO]
-------
DATE
&
COMPOUND
CU
CUIIL204
CUC03
CUCR04
CUCR204
CUFF.:02
CUFE204
CUM004
CUN02
CUN03
Cuo
CUO*CUS04
CUS
CUS03
CUS04
CUTJ03
CUV03
CUV206
CUW04
CUIN0212
CUINC312
CUIN0312.3H20
CUIN0312.&H20
CUIOHI2
CU2AL204
CU'2C03
CU2CR04
CU2CR204
CU2M004
CU20
CU2S
CU2S03
DATE
6
COMPOUND
CU2S04
CU2TI03
CU2W04
CU3N
CIOI
FE
FEIIL204
FEC03
FECR04
FECR204
FE~004
FEO
FES
FES03
FES04
FES2
FETI 03
FEV206
FEW04
FE nJ02 1,2
FEIN0213
FEIN0312
FElf'0312.6H20
FEIN0313
FE n:03) 3. 9H20
FEIOHI2
FEIOHI3
FE2N
OCT.
1~1l
HEAT OF FORMATION. ENTROPY. AND TRANSITION DIITA ICONTINUED)
HEAT OF
FORMATION
25 DEG.C
KCALIGMOLE
.00
-439.03
-142.10
-189.80
-321.74
-115.90
-2::S7.~1
-233.21
-1&.84
-32.84
-37.25
-222.35
-11.50
-127.28
-184.22
-264.49
-208.&8
-417.15
-247.76
-36.70
-72.40
-290.90
-504.50
-lU5.9U
-439.71
"142.29
-18~.~0
-319.04
-233.18
-40.78
-19.~3
-127.06
OCT.
1971
HEAT OF FORMATION. ENTROPY. AND TRIINSITION DATA ICONTINUED)
HEAT OF
FORMATION
25 DEG.C
KCAL/GMOLE
-179.51
-265.20
-247.85
17.80
-26.'+0
.OU
-474.40
-178.55
-225.6~
-3'+9.50
-26~.'+5
-63.7&
-22.80
-165.54
-220.41
-42.'+5
-295.1U
-452.87
-28'+.52
-70.36
-88.59
-107.23
-137.01
-785.2U
-137.20
-196.70
-.90
KEFEKENCES
TK-OU2
LA-001
TI<-002
TR-002
TK-U02
CA-U42
TR-002
RA_002
RA-U02
ST-~18
IN..001
LA-001.KU-00l
TR-U02
LA-OOl
TK-002
TR..002
TR-002
Tf~-002. WI-DOl
RA-002
WA-~01.ST-926
WA-901
WA-901
GE..~02.RA..001
TI<-002
TR-002
TI<-002
TI<..002
TR..U02
LA-UOl
LA-001.NB-C03
TR-002
REFERENCES
LA-UU1
TR-002
TR-002
WA-901.LA-9C8
LA-OOl
CA-U32.CA..054
LA-OOl
TR-002
CA-U&8.TR-OIO
TR-U02
LA-001
KU-001.LII-001
TR-U02
LA-001
LA-U01.KU..001
LA..OOl. TR-010
Tf/-002
TR-002
RA-UU2
RA-002
RA-U02
RA-002
WA-'::I01.RA-OOl
ST-918.RA-OOl
WA-901
LA-';08.KU-903
ABSOLUTf
ENTROPY
CAL/GMOLEI
DEG. K
7.9&
25.68
21.02
35.25
30.32
21.2U
32.47
31.07
26.64
32.21:1
10.19
38.03
15.90
<15.70
27.07
23.71
29.60
42.88
30.06
40.8U
46.10
20.70
40.20
37.63
47.00
4.3.6U
46.75
22.52
28.88
40.60
ABSOLUlr
ENTROPY
CAL/GMOLEI
OEG. K
38.46
36.1U
45.70
47.16
6.49
25.4U
22.19
3".85
34.90
30.9U
14.19
15.20
25.30
25.68
12.70
25.30
42.48
31.50
40.40
45.7U
55.40
25.50
2".2U
REFERENCES
LA-OOl
TR-003
LA-DOl
TR-003
TR-003
CA-062
TR-003
TR-003
RA-003
RA-OU3
LA-001
IN-DOl
LA-001.KU-001
TR-003
LA-DOl
TR..003
KE-OOl
TR-003
TR..003
RA-004
RA-003
6E-902
TR-003
TR-003
KE-001
KE..OOl
TR-007
LA-DOl
LA-001.N6-003
TR-003
R£FERlNCES
LA-DOl
TR..OU3
TR-007
LA-DOl
LA-OUl
KU-001
LA-001
TR-003
LA-001.KU-001
CA-064
LA-OOl
KU-001.LA-001
TR-003
LA-DOl
LA-OU1."". vu.L
LA-001.KU-00l
TR-003
CA-064
RA-OO"
RA-003
RA-004
WA-901
LA-908.KU-~03
TEMP.
DEG.C
1084.00
1197.00
255.00
24.40
1230.00
103.00
350.00
1127.00
TEMP.
DE6.C
760.00
9U6.00
14U1.00
1535.00
2180.00
-84.70
1377.00
138.00
325.00
1195.00
1370.00
&0.50
50.10
PAGE:
9
TRANSITION DATA
HEAT TYPE REFERENCES
KCALI
GMOLE
15.38
8.70
13.38
1.34
.20
5.49
3.11
S..L
LA-001
S"L
CA-062
S-L
ST-926
S-L
LA-90S
S-L
S-S
S-S
S..L
LA-001
LA-001.KU-001
PAGE:
10
TRANSITION DATA
HEAT TYPE KlFER£NCES
KCALI
GMOLE
.UO
.21
.11
3.70
7.48
.57
.12
7.73
21.70
S-S
s-s
s-s
-:S-L
LA-OOl
S..L
LA-001.KU-001
S-s
S-L
s..s,
s..s
S..L
LA-OOl
KU-001.LA-001
S-L
LA-001.KU-OU1
S-L
RO-907
S..L
LA..90B.RO-907
-------
DATE
(,
COio'.POU/'JD
FE203
IT2T J O~
FE2Tr05
FE2(I\L201f)3
FE2(C03):'\
FE2(CR04)3
FE2 (Ci'204) 3
FE2(MOQU)3
FE2(S03)3
FE2(S04)3
""F.2(TT03)3
FE2IV20f,)3
FE2 1 ~J(4) 3
FE304
F(4N
3A
GIIN
GIIS
GII (r'!02) 3
GIIHJ03)3
GAICH)3
611203
GA2S3
G1I21C03)3
GII21$03)3
Sll2 1 Sn'l) 3
GE
GEO(GAS)
6E02
GES
OCT,
1971
IIEAT OF FORMATION. ENTROPY. AND TRANSITION DATA (CONTINUED)
REFERltJCf.S
TRI\.'JSITIUtJ DATA
liE A T IT PE. t
TK-002
Tt<-U02
CI.-009
TK-G02
TR..U02
TK-002
UI-OOI
39.00
37,40
61.60
41j.80
09,80
79.6U
69. 'I U
53.I)U
61.90
53.80
126.4U
67.00
34.97
KU-OOI
KU-OUI
KE-OOI
lR-003
1<£-001
"E-DUI
TR-OU7
TK-OU3
TR-003
K[-OOl
I4.00
20.2..% ;>.jG ::'-L
-------
--~
DATE 6 OCT. 1911 HEAT OF FORMATION. ENTROPY. AND TRANSITION DIITA ICONTINUED) PAGE: 13
COMPOUND HEAT OF REFERENCES ABSOLUTE KEFEKENCES TRANSITIUN DATA
FORMATION ENTROPY TEMP. HEAT TYPE KEFEKENCES
25 DEG.C CAL/GMOLEI DEG.C KCALi
KCAL/GMOLE DEG. K GMOLE
KOH -101.50 ST-917 16.65 ST-920 249.00 1.51 S-S ST-917.KU-903
4UO.00 2.24 S-L
1327.00 32.00 L.-G
KOH.H20 -179.50 LA-906 143.00 S-L LA-906.RO-907
KOH.0.75H20 -161.70 RO-907
KOH.2H20 -251.20 RO-907
KVO:'l -277.:'3 TR..OO;: 29.90 KE-OOl
K2C03 -271.67 LA-OOl 36.07 LA-OOl 250.00 S-S LA-DOl
428.00 S..S
622.'00 s-s
901.00 7.79 S-L
K2CR04 -319.72 TR..002 47.60 KE-OOl
K2CR204 "541.19 TR-002 44.10 KE-001
K2M004 -356.90 TR-002 43.55 TR-007
K20 -66.36 LA-DOl 23.48 LA-OOl
K2S -87.86 LA-001.TR-010 26.34 TR-003 146.40 .09 S-S LA-001.KU-00l
835.00 S-L
K2S03 -266.90 NB-003 37.40 TR-003
K2S04 -j42.j4 LA-OOl 41.97 LA-OOl 595.00 2.25 s-s LA-001.CA-002
1069.00 8.75 S-L
K2TI03 -384.60 CA-063 32.90 TR-003
K2W04 -390.84 TR..002 42.50 TR-007
LA .00 13.69 LA-DOl 548.00 S-S LA-OOl
709.00 s..s
920.00 2.70 S"L
LAN -71.50 KU..903 11 .60 KE-911
LAS -108.00 S ',..002 16.60 TR..003
LAS2 -145.00 KU-001.TR-010 18.62 TR-003
LAIN02)3 -239.95 RA-002
LA(N03)3 -299.83 RA-002 56.60 RA-004
LAIN03)3.6H20 43.00 S..S RO-907
66.50 S-L
LA203 -430.50 HU-001.TR-010 30.55 LA-DOl 2315.00 S-L LA..001
42UO.00 L.-G
DATE 6 OCT. 1971 HEAT OF FORMATION. ENTROPY. AND TRANSITION DATA (CONTINUED) PAGE: 14
COMPOUND HEAT OF REFERENCES ABSOLUTE K£FERlNCE~ TRANSITIUN DATA
FORMATION ENTROPY TEMP. HEAT TYPE KEF£KENCES
25 DEG.c CAL/GMOLEI DEG.C KCALI
KCAL/GMOLE DEG. K GMOLE
LA2S3 -282.00 KU..001.TR-010 32.IH TR-003
LA2IC03)3 51.60 TR-003
LA2(S03)3 60.60 TR-003
LA21S04)3 -939.60 WI-DOl 68.70 TR-003
LI .00 6.70 LA-DOl 180.50 .72 S..L LA-DOl
LIAL02 -284.29 KU-001.LA-00l 12.69 LA-001.KU-001
UFE02 -173.70 KU-OOl 18.00 tW-001
LIN02 -96.60 ST.926.RO-907 21.34 RA..003 96.00 S-S ST..926.PR-903
220.00 S-L
LIN03 -115.20 LA-908 24.96 RA-003 -10.00 s-S 5C-912.FE-903.
120.00 S.S 5T-926
170.00 S-S
2jO.OO s-s
253.00 6.04 S-L
LlN03.3H20 -328.60 RO-907 29.90 8.jj S-L NE-904
LIOH -115.84 SI-917 10.22 5r..917 413.00 S-S ST-917.LA-908.
471.30 5.01 S..L I
-------
DATE
6
CO~~POUND
MG
~GIIL;>O'~
MGC03
rl.GCR04
:%CH204
MGFE204
MGM004
~1GO
MGS
MGS03
MGS04
MGTJ03
MGTI?05
MGV206
MGW04
MG(N02)2
W,GIN03)2
MGIN03)2.2H20
MGIN03)2.6H?O
MG(OH)2
~.1G2T I Of.!
r'G3N2
I-'N
MNAL204
r'1NC03
~f,rJCRC4
MNCR 20'.
MNFF:204
DATE
6
COMPOUND
I
I M.NM004
N'NO
MNO::!
MhiS
MNS03
I MNS04
MNS2
MNTI03
MNV206
",r.j.,04
MNI~102)2
MNINC?)3
MNIN02)4
MNIN03)2
MNIN03)?3H20
r~NIN03)2.4H20
MNI~I03)2.6H20
MNlrJ03)~
MNnl03)4
MNIOH)2
r.~~1 I 0H) 3
MNIS04)2
mJ?03
\lii\j2IAL204).3
!Y;N2IC03).3
"~J2 (CROll) 3
w,;2 I CP.204).3
~,r'J2 I FE2C/I) 3
rM',2 111,004) 3
M~J2 I S03) 3
M~12 I S04).3
"';,12 I TI03) 3
OCT,
1971
HEAT OF FORMATION, ENTROPY, AND TRANSITION DATA (CONTINUEO)
HEAT OF
FORMA TI ON
25 DEG.C
KCAL/GMOLE
-551.00
-263.98
-307.08
-453.10
-349.20
-334.80
-11+3.63
-83.00
-241.00
-305.50
-371.50
-6UO.I0
-527.90
-373.40
-153.63
-188.97
-334.70
-624.0G
-221.00
-110.20
-501.10
-213.74
-256.88
-396.12
-293.00
OCT.
1971
HEAT OF FORMIITION. ENTHOPY. AND TRIINSITION DATA ICONTINUED)
HEAT OF
FORMATION
25 DEG.C
KCAL/GMOLE
-284.40
-91.93
-124.16
-49.'15
-197.37
-253.9~
-49.50
-324.30
-484.18
-312.60
-104.01
-]11.56
-137.73
-3511.90
-566.90
-162.47
-166.20
-212.00
-229.11
-1430.00
-545.46
-688.01
-1080.20
-810.67
-818.86
-502.39
-666.90
-906.26
REFERENCES
.00
C/I-048.CA-049
JA-001.LA-001
TR-002
CA-038.TR-010
CA-042,CA-047
CA-077.TR-OI0
LA-001.NB-(103
CA-019.NO-003
NB-003
JA-OOl
CA-04:3
CII-04:5
CA-U50
CA-044
RA-OU2
51-926
MA-928
LA-901:1
ST-918.RA-00l
ST-906.LA-908
.00
CII-021
LA-OUl
TR-002
Tf{-UU2
CA-U28
KEFERENCES
CII-029
LA-001
LA-001
LA-UU1
TA-002
LA-DOl
KU-OOl
TA-OO?
TR-002
CA-030
RII-U02
RII-002
WA-901.RA-OOI
LA-908
WII-901
RA-002
WA-901
nO-907
LA-OOl
TK-002
TR-U1I2
Tf{-002
TH-002
TR-UU2
TA-UU2
TK-002
WI-OOl
Tt<-G02
ABSOLUTE
ENTROPY
CAlIGMDLEI
DEG. K
7.18
19.25
15.70
32.00
25.30
28.28
28.40
6.4U
10.60
22.50
21.90
17.80
3U.40
38.27
26.86
37.60
39.20
15.10
24.1:\0
21.00
1.5';1
25.18
20,47
34.75
29.82
31.'37
ARSOLUTE
ENTROPY
CAL/GMOLEI
r"JEG. K
31.27
14.26
12.69
HI.c/!
24.40
26.18
15,32
23.20
42.38
29.56
40.30
45.60
55.30
66.30
23.10
34.30
26.40
68.40
411.60
96.60
86.40
96.60
69.20
53.60
61.7U
60.60
REFERENCES
LA-OUl
KU-OOl
JA-OOl.LA-OOl
TR-003
KU-001.LA-OOl
LA-OOl
CA-Ol7
LA-001.NB-003
LA-OOl
TR-003
JA-OOl
KU-001.LA-OOl
KU-OC1.LA-OOl
CA-051
TR-003
RA-004
LA-908.KE-912
ST-918
KU-001
ST-906.KU-903
LA-OOl
TR-003
LA-OOl
TR-003
TR-003
TR-003
REF EHENCE~
TH-003
LA-OOl
LA-001
LA-C01
[R-OO.2
LA-OOI
TR-003
TR-OU3
TR-003
TA-003
RII-004
HA-003
RA-004
HA-004
WII-901.HA-OOl
TR-OU3
LA-OUI
KE-OOl
lR-003
KE-OOl
KE-OOl
KE-OOl
TR-007
TR-003
TR-003
KE-OOl
TEMP.
DEG.C
649,50
1120.00
2l35.0r:
2200.00
392.00
957.00
28U2.00
1127.00
130.00
90.00
550.00
786.00
727.00
11Ul.00
1131.00
1244.00
1577.00
TEMP.
DEG.C
-155.40
1180.00
250.00
1530.UO
460.00
7UO.OO
35.50
31 ell)
25.80
6UO.00
PAGE:
15
TRANSITIUN DATA
HEAT TYPE REFERENCES
KCIILI
GMOLE
2.14
31.49
18.49
3.50
9.8[,
.11
.22
.54
.54
,43
3.49
.35
:S-L
L-G
S-L
LA-OUl
KU-OOl
S-L
S-5
S-S
KU-OOl
LA-OOl
S-L
LA-OOl
S-L
JA-OOl
:S-L
S-L
RO-907
LA-90B
s-S
:::;..S
s-S
:S-S
S-S
S.L
S-L
KU-903.KE-909
LA-OOl
CA-027
PAGE:
16
TRANSITIUN DATA
HEAT TYPE REFERENCES
KCALI
G~OLE
13.00
6.31
6.50
9.61
.51
S..S
S-L
S-S
S-L
LA-OOl
LA-001
LA-OOI
S-S
S-L
LA-001.CA-002
S-L
S-L
S-L
LA-Y08.RO-,;/07
RO-901
LA-908.RO-901.
S-S
LA-OOl
-------
DATE 6 OCT. 1911 HEAT OF FORM/ITION. ENTROPY. AND TRANSITION aHA (CONTINUED I PIIGE: 17
COMPOUND HEAT OF REFERENCES ABSOLUTE HEFERI::NCES TRANSITIUN DATA
FORMATION ENTROPY TEMP. HEAT TTPE REFERENCES
25 DEG.C CALlGMDLfl DEG.C KCALI
KCAL/GMOLE OEG. K GMOLE
MN2(V20613 -1.369.60 TR-002 1.3.3.20 KE-OOl
MN?'(W04).3 -862.24 TR-002 66.80 TR-OIJ7
MN3N2
MN.304 -.331.12 LA-OOI 35.72 LA-OOI 1172.00 4.49 S-S 1..11-001
1590.00 S-L
~'NIIN -30.30 MA-925.M/I-933 31.00 MA-925
MN5N2 -48.20 MA-925,RA-001
foIN8N2 -61.!:)0 wA-901.RA-OOl
MO .00 6.83 LA-OOI 2622.00 6.59 S-L I..A-001
M002 -140.83 L/I-001 11.06 LA-OOI
M003 -171.88 L/I-001 18.57 LA-OC1 795.00 12.54 S-L LA-DOl
1155.00 32.97 L.-G
MOS2 -60.40 KU-001.TR-010 16.00 KU-001.LA-001
"1053 -61.47 LII-OOI 15.89 L/I-OOI
MO(C0.313 50.10 KE-OOI
,",0(503)3 63.60 TR-003
"10(504)3 67.80 KE-OOI
M02rJ -19.50 MII-943.RA-001 21.00 LA-908.KU-903
~02S3 -92.50 KU-001.TR-010 28.00 KU-001.LA-00l
NA .00 12.28 LA-OOl 97.82 .62 S-L LA-OOl
890.00 21.27 L-G
NAAL02 -270.67 LA-001.KU-001 16.89 LA-001.KU-001.
NI\CL -98.26 .,IA-001 17.24 .,IA-001
NAFE02 -166.40 TR-002 21.10 LII-001.KU-001
NAN02 -85.72 ST-926 25.34 RA-003 162.00 .30 S-S LA-908,RO-907.
281.00 2.48 ::i-L AO-902.ST-926
NAN03 -111.85 51-926 27.80 LA-908.RO-907 -.30.00 ::i-S SC-912.FE-903
160.00 ::i..S
275.00 1.12 '::i-S
3Ub.00 3.69 S-L
NAOH -101.90 ST-917 15.40 ST-917.KE-9] 2 2';12.95 1.52 ::i-S ST-917,KU-903,
319.25 1.52 ::i-L LII-908
1390.00 34.50 L-G
NAOH.H20 -175.10 LA-'308 20.20 LA-908.RO-901 64.20 S-L LA-908.RO-907
DATE 6 OCT. 1911 HEAT OF FORMATION. ENTROPY, AND TRIINSITION nATA (CONTINUEO I PAGE: 18
COMPOUND HEAT OF REFERENCES ABSOLUTE REFERENCES TRANSITION DATA
FORMATION ENTROPY TEMP. HEAT "PE HEFEHENCES
25 DEG.C CAL/GI'I,OLEI DEG.C KCALI
KCAL/GMOL[ DEG. K GMDLE
NIIOII.2H20 116.86 51-906 13.50 3.8& ::i-L SI-906
NAOH.3H20 60.99 51-906
NAOH.3.5H20 68.44 SI-90& 15.50 5.38 ::i-L RO-907,SI-906
NAOH.4H20 16.11 SI-906
NADH.5H2D 92.27 51-906
NAOH.7H20 125.80 SI-9U6
NAV03 -276.47 CA-041 27,40 KE-001
NI\2C03 -2&9.72 LA-001..,IA-00l 32.1+9 LA-001,.,IA-001 35&.00 s-S LA-OOlt .,11\-001
486.00 ::i-S
618.00 s-s
851+.';0 7.88 S-L
NII2CR04 -318.60 CA-Ob9 42.60 KE-001
NA2CR20'1 -508.14 TK-U02 39.20 KE-OOl
N/l2:'<004 -.354.00 CA-045 38.10 CA-017
NII2M0207 -539.40 CA-045 59.90 CII-046
NA20 -102.87 LA-001 16.99 LA-OOI 920.00 11.20 S-L LA-OOl
NA.2S -92.40 KU-001.TR-OI0 22.48 LA-OOl 950.00 1.19 S-L
1I1\2S03 -2bO.40 CA-003.LA-00l .34.88 LA-001
NA2S04 -330.&4 LA-001 35.&9 LA-001 25'3.00 2.64 S-S LA-001.CA-002
884.00 6.86 S-L
NA2TI03 -379.50 CA-06.3 29.10 KU-001.LA-001 287.00 .40 s-S KU-001,LA-00l
1030.00 16.80 :>-L
NA2TI205 41.111 KU-001,LI\-001 985.00 26.20 ::i-L KU-001.LA-001
NI\2TI.3D7 55.90 KU-001,LA-00l 1128.00 37.10 S-L KlJ-Oo.1
NI\2W04 -.382.60 CII-045 39.10 TR-007
NII?W207 -597..s0 CA-0'l5 60.80 CA-046
~JB .00 8.72 LII-001 2487.00 6.40 ::i-L LA-001
NBO -116.11 LA-OOl 11.99 LI\-OOl
"Ieo? -189.'33 LII-001 13.02 LA-OOl
NH205 -455.10 LA-OUl 32.78 LA-OOl 8UO.00 ::i-S LA-OU1
1100.00 ::i-S
1512.00 24.58 S-L
N!:I2S5 51.80 K£-OOl
NB2!C03)5 e5.30 K£-OOl
-------
DATE
6
C:O~POUND
N8?(~051~
~W2 (51;415
"JI
NlfoL~04
~I I C 0:3
NICR04
:,IICR204
~IIF[204
tJI r~004
"'10
~JIS
NIS03
NIS04
NITIn3
NIV?'06
IHW04
NI(N021~
rHHI0312
NI(N0312.3H20
NI(N0312.6H20
NI(OHI2
NI(OHI3
, NI3N
~Jy"3S2
I NO(GI
Ne2(GI
r.120:3(G I
i :1204 «(, )
I r.!205
N205(GI
OCT.
1971
HEAT OF FORMATlnN. ENTROPY. AND TRANSITION DATA (CONTINUED I
HEFER£NCES
TRANSITIUN DATA
HEAT TYPE ~EFE~~NCES
KCAL/
G"'IOLE
HEAT OF
FORMATION
25 DEG.C
KCAL/G/,~OU:
-465.32
-162.'J8
-216.48
-348.74
-256.50
-26U.26
-57.26
-20.2U
-155.86
-213.50
-287.75
-443.59
-271.62
-61.40
-99.20
-.317.00
-521i.60
-126.60
-160.00
.20
-47.50
21.56
7.91
19.80
2.17
-10.00
2.7U
REFERENCES
.00
C/I-057
LA-UU1
TR-002
TR-002
CA-036
TH-002
LA-001
KU-001.TR-010
TR-002
LA-OOI
CA-035.CA-055
Tt~-002
CII-030
RA-002
WA-901.Rfo-001
WA-901
WA-901
WA-901
1'111-901
WA-901.KU-903
KU-OOl.TR-Oln
FH-905
ST-906
5T-906.I-s LA-OOI
P9CR204 -357.23 TH-U02 35.02 TR-003
P3F£204 -251.22 TK-U02 37.17 H'-OU3
PRM()04 -?65.b5 LII-UUl 35.77 TR-003 lU65.00 :>-L LA-OOI
P90 -!)2.37 LA-OOI 15.6U LA-OOI 1189.00 s-s LA-OOI
890.00 2.80 :>-L
1472. GO 50.89 L-G
i PAO*P8S04 -275.20 K[-003 51.97 KE-003 970.00 :>-L LA-OOI
['802 -66.011 LA-Cr.l 18.26 L.A-OOI
I pns -22.52 LA-00l.NB-OC3 21.79 NB-003.LA-001 1114.00 4.16 :>-L LA-00l.NB-003
[ PBS03 -157.00 CA~OU6 30.4U TR-003
['aS04 -a':l.33 LA-Olll 35.17 LA-(JUI 8Ul.00 7.30 :>-5 LA-OU1.CA-C02
1087.00 9.60 S-L
PBT.10~, -2115.34 TI'I-002 28.41 TR-ou3 490.00 1.15 :>-5 LA-OOl.KU-OOI
1170.ou :>-L
PAV?06 -445.55 TR-UU2 47.58 TR-003
P'3w04 -277.49 T,.(-UO;> 34.76 TH-003
i'Bf~JO?12 ..66010 RA-U02 45.50 RA-004
P'JO:C2)11
P!3(N03)2 -lU8.00 S, -926. WA-91'\ 50.80 RA-003
f'f"! (~;()311, 71.50 RA-004
PB«()H)2 -123.30 10111-918 21.00 LII-':IlI (I, t{(j-~)O 1
PF.!(S0412 ~9.5U T R-tJiJ3
PH304 -175.1+1 LA~OOl 50.46 LA-OOl
PO .00 9.03 LA-DOl 1555.00 4.11 :>-1.. LA-OOI
I POC03 24.09 TR-003
-------
- ---- .--. .~
OIlTE 6 OCT. 1971 HEAT OF FORMATION. ENTROPY. AND TRANSITION DATA I CONTINUED 1 PAGE: 21
CO~POUND HEAT OF KEFEKENCf.S A8S0LUTf HEFER~NCES TRANSITION DATA
FORMATION ENTROPY TEMP. HEAT TYPE KEFEKENCES
25 DEG.C CAL/GMOL.EI DEG.C KCALI
KCALIGMOLE DEG. K GMOLE
PD~ -27.60 HE-U02.TR..OI0 13.37 LA-OUl
PDS -18.00 HE-002 17.72 TR-003
PDS03 27.60 TR-OO~
PD5011 28.70 TR-003
PDS2 ..19.00 HE-002 17.72 TR-003
RBN02 -86.71 ST-926 29.711 RA-003 1122.00 ~-L PR-903
RBN03 -117.00 LA-9U8 33.38 RA-003 160.00 .93 ~-s Sf-92l
215.00 .77 ~-~
281.00 .23 5-S
310.013 1.11 ~-L
R130H -96.87 LA-906.RO-907 2115.00 1.70 S-S LA-908.RO-907
301.0U 1.62 ~-L
RBOH.H20 -177.80 RO-907
RBOH.2H20 -250.80 RO-907
RB2C03 -269.118 LA-OOl 39.83 TR-003 -3U3.00 s-S LA-DOl
873.00 5-L
R820 -78.811 LA-DOl 26.50 TR-OU3 567.00 8.50 5-L I.A-OOl
R132S -83.20 NB-003.KU-00l 31.70 TR-003
R82S03 -265.32 fR-002 112.80 TR-OU3
RB2S011 -3110.50 RO-907.LA-908 111.53 TR-003 650.00 s-s LI\-001.CA-002
881.00 2.11 5-S
1U111.00 S-L
RE .00 8.88 LA-OU1 3180.00 9.08 S-L LA-001
RE92 -101.116 LA-OOl 11.39 LA-DOl
RE03 -1115.911 LA-U01 19.30 LIl-OOl 160.00 ~-L I.A-OOl
RES2 -11,2.70 CA-0711.TR-010 19.22 LA-OOl
RE53 -119.80 KU-U01 23.0U KU-Oll1
RE207 -295.16 LA-DOl 149.52 LA-DOl 300.30 15.80 S-L LA-OOl
360.30 11.70 L-G
RE208 -1118.2'+ LI\-OOl 150.00 ~-L LA-001
RE2S7 -101.90 CA-0111.KU-00l 148.00 KU-OUl
RH .00 7,55 LA-OUl 1960.00 ~-L LA-001
RHC03 23,89 TR-003
RHO -23.89 LA-001 12.90 LA-OOl
DATE 6 OCT. 1971 HEAT OF FORMATION. ENTROPY. AND TRANSITION DATA (CONTI NUED) PAGE: 22
COMPOUND HEAT OF REFERENCES ARSOLUTf HEFERE.NCES TRANSITION OAT A
FORMATION ENTROPY TEMP. HEAT TYPE KEFEK(NCES
25 DEG.e CAL/GMOLEI aEG.e KCALI
KCALIGMOLE aEG. K GMOLE
RH5 17.52 TR-003
RH503 21.140 TR-OU3
RH5011 28.50 TI<-003
RH20 -22.67 LA-OOl 27.70 TR-003
RH203 -70.95 LA-OOl 26.50 TR-003
RH2S 32,911 TR-003
RH2S0'+ 118.69 TR-003
RH2S3 29.80 TR-003
RH2(501413 66.1U TR-003
RU .00 6.82 LA-001 1035.00 .U3 S-5 LA-DOl
1200.00 s-s
1500.00 .23 s-s
25UO.OU 5-L
RU02 -12.20 CA-082.eA-083 12.50 CA-016
RU03IGA5) -18.00 CI\-016 63.70 eA-016
RU0I4(GA5) -116.10 CA-016 65.50 CA-016.0R-00l
RUS2 -140.00 KU-001.TR-OI0 10.140 HE-002.TR-OIO
5 .00 NB-003,JA-00l 7.63 LA-OU1.NI3-003 95.31 .10 S-S LA-OOl
101.00 .00 s-s
115.18 .111 S-L
141111.60 L-G
58 .00 10.92 LA-001 914.60 S-::; LA-DOl
1113.00 S-5
630.90 11.88 ~"L
56203 -169.,+0 CA-060 31.65 CA-OID
562014 -216.90 CA-U60.TR-010 30,20 LA-OOl
56205 -210.23 LA-OOl 29.89 L.A-OOl
58253 -~0.50 KU-001.TR-010 113.50 eA-073.TR-OI0 5146.00 5.60 S-L LA-D01.KU-001,
562(AL201413 -1362.5Q Tt{-002 71.140 KE..OOl
582(C0313 -1168,09 Tt{-OU2 50.,+U TR-003
562(CR0I4)3 -611.09 T.R-002 99.60 K£-001
5B2(CR2014)3 -991.12 TK-002 89.'+0 K£-OOl
5B21FE201413 -737.07 TR-002 99.60 K£-001
582(MOO1l13 -7110.01 TR-D02 15.00 TR-007
-------
DATE 6 OCT. 1971 HEAT OF FOHMf,TlrJN, fNTf 1 v?0613 -129'+.'+0 TR-002 136.20 I\E-OUl
S821wO'+13 -785.00 TR-002 72.60 Tn-ou7
SC .00 KR-001 8.20 KE-OO'+.LA..001
~C203 -'+56.16 HU-004.TR-(l10 18.40 CA-014
SC2(C031:'1 43.'+0 TK-OU3
5C2(503)3 52.',0 TR-OIJ3
SC2(50413 60.50 TR-Ou3
SJ .00 '+.W7 LA-OOl 1'120$.00 11.11 :)-1. LA-OUl
5101G1I5) -23.20 KU-OOl.LA-COl ~0.5~ KU-001
SI02 -217.72 KU-U!J1. Tf{-('} 0 10.0U LA-GU1.NO-U02 867.00 .12 :)-5 LA-OOI
1610.00 2.04 :)-1.
SIS(GASI 10.90$ JA-UOI 5o$.4j JII-Or'l
5152 -'+9.00 JA-OOl.KU-OOl 18.00 KE-001.TR-003 lU90.00 S-I.
511C03)2 31.20 I'-E-OIl1
SII80312 40.20 K'::-OOI
51(S0412 32.10 TR-003
StJ .00 12.26 LA-OOI 18.00 .60 s-s LA-OOI
2U2.80 .00 s-s
20$1.90 1.69 S-I.
5NC03 24.4':1 TK-Ou3
SNO -68.33 LA-UOl.Nf:!-002 13.50 LA-OU1.NB-002 1'+6~.00 38.'+6 L-G LA-OU1
SNO::! -138.75 LA-001.NG-OOl 12.50 LA~OOl.f\d-On '+10.00 .45 s-s LA-OOt
SN-S -2'+.3C! LA-UOl...1-001 18.'IU LA~(]U1.KU':.001 5/J'+.00 .16 :)-S LA-OOl.KU-OOl
8eO.QO 7.55 S-I.
S'JS03 28.00 TR-003
~NSO,+ 2':1 01 U TR-ou3
~NS;:> -39.90 LA-001.KU-OU1 2('. d~ LA-uU1.i0 :)-5 L/I-001
77U.OO 2.20 :)-1.
10$6"'.00 3.3.18 L-G
SRAL20'+ -559.81 CII-022 26.88 lR~Ou3
SRC03 -290.98 1.11-001 23.17 LII-OU1 Y2'+.00 .'+0 :)-5 I.A-OOI
1'+97.00 ~-L
SRCRO'I -330$.0$6 TK-U02 .36.4:> TR-003
SRCR20'+ -514.63 TR-U02 31.52 Tr{-!JU3
SRF[2C'+ -350.06 TK-002 33.61 TR-CtJ3
SRM003 ~3U8.60 CI\-02'1
SRMOO'+ -375.20 TK-002 32.2" TR.003
SRO -140.1'+ LI\-UOl.CA~007 13.00 LA-001 2'16U.OO 16.70 S-I. LA-001
32UO.OO ]C!6.62 L..-G
SRS -lU8.10 KU-UOl.TR-010 H.. 50 I'-U-00l.LA-001
C::R~rJ3 .279.'+0 CA-(,06 ;;>6.9lJ TR-OO:~
SRS04 -3'+4.97 LI\-OOl 29.07 1.1\-001 1152.00 :)-S LA-001.C/I-OU2
16U5.00 :)-L
SRT! 03 -393.50 TH-UU2 25.9':1 LA-OOl
SRV206 -502.9b TR-002 44.08 TR-003
-------
-----.---
DATE 6 OCT. 1971 HEAT OF FORMATION, ENTROPY, AND TRANSITION DATA I CONTINUED) PAGE: 25
COMPOUND HEAT OF REFERENCES ABSOLUTF. REFERENCES TRANSITIUN OAT A
FORMATION ENTROPY TEMP. HEAT TYPE "t:FEKI:.NCES
25 DEG.C CAL/GMOLEI DEG.C KCALI
KCAL/GMOLE DEG. K GMOLE
SRWOq -393.00 CA-023 28.30 CA..023
SRIN02)2 -182.20 sr-926 q2.00 RA-OOq 2H.00 ::;-s ST-926
288.00 S-S
q03.00 S"L
SRIN03)2 -233.80 ST-926 '+6.50 TA..913 6q5.00 10.65 S-L ST-926,RO-907,
SRIN03)2.QH20 -51&+.50 RO..907
SRIOH)2 -229,30 RO-907 535.00 5.'+9 S-L KE-909
SRIOH)2.H20 -302.30 RO-907
SRIOH)2.8H20 -801.20 RO-907
SR2T! 0'+ 38.00 KU-001,LA-00l
SR3tJ2 -93.'+0 KU-903.RA-00l 1030.00 S-L KU-903
SIGAS) 52.80 LA-OOl '+0.09 LA-OOl
TA .00 9.89 LA-OOl 2996.00 7.50 S-L LA-OOl
TAN -59.00 KU-903,RA-001 12.20 KU-903 3090.00 S-L LA-908,KU-903
TA2N -6Q.70 KU-903.MA-9Q3
TA205 -Q88.50 KU..001.TR-010 3'+.15 LA-OOl 1320.00 ::;-5 LA-OOl
1880.00 S-L
TA2S5 53.20 KE..OOl
TA21C03)5 86.70 KE-OOl
TA21S03)5 109.2u KE..OOI
TA2IS0,+)5 116.20 KE..OOl
TH .00 12.75 LA-OOI 225.00 S-S LA-OOl
lQOO.OO .67 ::;-S
1695.00 3.7Q S-L
TH02 -29Q.09 LA-001 15.59 LA-OOl 2950.00 ::;-L LA-OOl
i+'+OO.CJU L-G
THS -99.96 LA-OOl 20.92 TR-003
THS2 -109.89 LA..OOl 20.92 TR-003 1905.00 S-L LA..001,KU-00l
THIAL20,+)2 -1101.50 TR-U02 Q'+.50 KE-OOl
THIC03)2 -519.62 TR-002 37.50 KE..OOl
THICRO&+)2 -61'+.33 TR..002 63.30 I
-------
DAT[ G 0(' T. 1971 HEAT OF FOH~!AT InN. rfHROPY. ANO T~MJSr nOr,) nllTA (CONT PWEO I PAGE: 27
('o;vyr>lIIJD HEIIT uF RLFEKE"NC£'S IIHSOLU T.- KE.Ff.KUJC[S TRANSITIUN OI\TA
FOI~MAT10N E.;.ITROPY Trr~p. HrllT TYPE KEF(KLtlJCES
25 DlG.C ClIl.IGi~OLU OEG.C KCIILI
KCAL/GMOLE ~)(r;. '" G"iOLE
U03 -291.70 LA-UI)l 23.55 LA-Olii
US -91.00 CA-075.KU-OOl IB.OO KU-OU1 2462.00 S-L CA-075
US:? -120.0(: KU.lItll 2E.DU KU-OUI 13~O.OC s-s KU-OUI
1680.00 S-L
U(AL20412 -1063.00 TK-U02 48.00 I\E-OOI
U(CQ312 -478.20 TH-()02 111. 00 KE-OOI
L!(CR04)2 -573.04 TK-002 66.!30 KE-Olll
U(Cr2Q412 -63':1.08 TQ-C02 60.00 t\[-OOl
U(FF."204)2 -650.72 T,~-002 66.80 Ki..-Olll
U(M004)2 -66U.~7 TR-O.J2 41.9U Ti{-lJu7
U(S03)2 -1~~1. ,)IJ TR-~I,J2 :; iJ . ()'J tI(-'.'..; 1
u(sn4)2 -563.00 1111-001 40.00 TK-003
U(TI03)2 -714.04 TK-UU2 42.HlI Kl-OOI
U (V2"16) " -1027.20 TR-002 91.20 I'E-001
U(WO'j)2 -6d9.71J TK-002 40.60 TR-OU7
U2S3 -224.liO KU-l,()l 35.0) KU-Gv1
lJ308 -85".10 KU-UOI 67.50 KiJ-OOl.1I\-(J111
v .00 7.00 LA-OOI 1730.00 4.18 S-L LA-OOI
VC03 21.49 TR-003
VN 8.91 KU-9(j3.K[-912 2050.00 ::;-L LA-Y08.KU-9D3
Vf1 -97.9~ LA-DOl 9.29 LA-DOl :11UO.ou L-G LA-OOI
V.JS04 -313.10 FI.-001 27.10 j'L-OOl
VS -44.91 LA-001 14.50 LA-OOI 19UO.00 S-L LA-OOI
\1$03 25.00 TR-:)03
V'S04 26.10 TR-003
V203 -289.79 LA-UUl 23.48 Lt.-OUI 1967.00 S-L LA.001
V2C4 -3..3.78 LA-OOI <:4.30 LA-OOI 72.00 2.05 ::;-s LA-001
1542.00 27.19 ::;-L
;>7UU.CU L-G
V20'i -372.68 LA-00l.NB-003 31.21 LA-001.NU-003 670.00 15.55 S-L LA-001
18uO.ou L-G
V2S3 25.00 TR-003
V2S4 30.20 TH-OU3
V2S5 50.20 KE.-001
DATE '" OCT. 1971 HEIIT O~ rOHMIlTION. EI.JTIWI-'Y. AND IRANSlTI0~J [1I1TA (CONTINUED) PIIGE: 28
COI>CPOUNO liE II T OF R[FEHU,CfS A£1S0Lulr REff.RENCES THMJSI T IUr,) DATA
FOR"1ATION ENTROPY TEMP. HEAT TYPE. ~EFERENCES
25 OEG.C CAL/GMOL'I OEG.C !~\'I -279.61J CA-U2801R-010 32.2U t,U-UU1.1I\-O"1
7.~'Jf~004 -283.39 TR-U02 31,17 TR-003
Z'.'O -tl3.3d LA-OD1 10.3':1 LA-OUI 19-/5.00 12.49 ::;-L LA-OOI
71~O*2ZrJS04 -?51.36 1111-002 66.'1'1 IN-DU2
Z',S -48.50 LA-u(jI.1\i8-Cl,:~ 13.i!U LA-CLl.N8-00.~
Z~JSr)3 -178.48 TR-002 25.8u TR-003
ZrJSC4 -233.69 LA-00l.NB-Ou3 29.77 LA-001.NI:3-003 75'1.00 4.74 S-S CA-002
zrH 1(13 -309.30 CA-039 24.:>1 TR-OO:'!
-------
DATE 6 OCT. 1971 HEAT OF FOR~ATION, ENTROPY, AND TRANSITION DATA (CONTINUED) PAGE: 29
COMPOUND HEAT OF KEFERENCES ASSOLUTE REFERENCES TRANSITIUN DATA
FORMATION ENTROPY TEMP. HEAT TYPE t
-------
L-
TABLE VI
DATE 6 ocr. 1971 THERMODYNAMIC PROPERTIES OF INORGANIC COMPOUNDS PAGE: 1
HEAT CAPACITY ICAL/GMOLE/DEG.K)
EQUATION CP = A + BT + CTn? D/Tn2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFERENCES
A BXI0..3 CXI0n6 DXI0n-5 DEGREES CENTIGRADE
AG 5.38 1.7~ .00 -.17 25.00 TO 961.28 LA-001.PE-00l
7.50 .00 .00 .00 961.28 TO 1200.00
AGN02 3.65 28.10 .00 -2.~7 59.00 TO 200.00 RA-005
AGN03 8.76 ~5.18 .00 .00 25.00 TO 210.00 LA-908
30.58 .00 .00 .00 210.00 TO 327.00
AGV03 31.11 j.88 .00 1.'+5 25.00 TO 700.00 TR-OO"
AG2AL.204 39.66 11.38 .00 1.92 25.00 TO 100.00 TR-OO~
AG2C03 19.57 2~.36 .00 .00 25.00 TO 227.00 L.A-001.KE-002
AG2CR04 34.54 12.44 .00 ~.96 25.00 TO 100.0U TR-OO~
AG2CR204 ~1.18 9.2'+ .00 3.1'+ 25.00 TO 100.0U TR-004
AG2FE204 39.11 21.19 .00 5.60 25.00 TO 100.00 TR-OO~
AG2M004 33.31 12.94 .00 j.68 25.00 TO 100.0U TR-004
AG20 13.25 7.0~ .00 .00 25.00 TO 700.00 LA-001
AG2S 10.13 26.~0 .00 .00 25.00 TO 179.00 KU-001.LA-001
21.64 .00 .00 .00 119.00 TO 511.00
AG2S03 20.16 22.14 .00 .00 25.00 TO 100.00 TR-001
AG2S04 23.39 27.58 .00 .24 25.00 TO 657.00 LA-001
AG2TI 03 30.39 8.02 .00 3.50 25.00 TO 100.00 TR-OO~
AG2WO'+ 35.55 8.91 .00 ~.80 25.00 TO 100.0U TR-OO~
AL '+'95 2.95 .00 .01 25.00 TO &58.&0 LA-001.PE-00l
7.00 .00 .00 .00 658.60 TO 127.00
ALN 6.66 3.62 .00 .51 .00 TO 1127.00 ST-906
ALIN02)3 ~.27 17.10 .00 -3.'+5 59.00 TO 200.0U RA-005
ALIN03)3 63.09 27.57 .00 20.55 25.00 TO 627.00 RA-005
ALIN0313.6H20 16.29 290.80 .00 .19 .00 TO 2'''99 LA-908
ALIN03)3.9H20 TO
ALIOH)! TO
AL203 26.40 ~.3~ .00 7.92 25.00 TO 700.00 LA-001.NB-002
AL.2S TO
DATE 6 OCT. 1911 HEAT CAPACITY ICAL/GMOLE/DEG.K) CONTINUED PAGE: 2
EQUATION CP = A + BT + CT..2 D/Tn2
COMPOUND COEFFICIENTS rEMPERATURE RANGE REFERENCES
A BX10..3 CX10.*6 DX10.*-5 DEGREES CENTIGRADE
AL2S3 31.99 .98 .00 7.28 25.00 TO 700.00 TR-009
Al2TI05 ~3.5'+ 5.28 .00 11.42 25.00 TO 700.0U TR-004
AL21C0313 65.57 21.9~ .00 25.23 25.00 TO 700.00 TR-OOI
Al21CR0413 90.26 20.54 .00 22.79 25.00 TO 700.0U TR-OO~
AL21CR204)3 111.98 10.93 .00 19.1~ 2-'5.00 TO 100.00 TR-004
AL21F(204)3 105.78 48.60 .00 24.14 25.00 TO 100.0U TR..004
AL21M00413 86.59 22.03 .00 18.96 25.00 TO 700.00 TR-004
AL.2IS03)3 41.14 49.64 .00 7.92 25.00 TO 700.00 TR-OOI
Al21S04)3 81.51 1~.96 .00 26.66 25.00 TO 100.0U LA-OOI
AL21TI03)3 77.80 1.28 .00 18.41 25.00 TO 7UO.OU TR-004
AL21V20613 113.32 6.52 .00 52.61! 25.00 TO 1UO.00 TR-004
AL.21 WO'q 3 93.30 10.13 .00 22.31 25.00 TO 100.0U TR-004
AS 5.23 2.22 .00 .01 25.00 TO 5UO.OU L.A-001.PE-001
AS203 8.31 48.60 .00 .00 25.00 TO 3UO.OU KU-001
AS205 TO
AS2S3 13.95 ~5.20 .00 -.6'+ 25.00 TO 300.00 TR-009
AS2S5 TO
AS21C0313 41.54 66.20 .00 17.31 25.00 TO 3UO.00 TR-001
AS21S0313 29.10 93.90 .00 .00 25.00 TO 300.00 TR-001
AS21S0413 36.27 101.80 .00 1.74 25.00 TO 300.0U TR-OOl
B 1.46 4.52 .00 -.04 25.00 TO 7UO.OU LA-001.PE-00l
BA 5.43 3.15 .00 .01 25.00 TO 310.00 LA-OOl
2.46 6.98 .00 -.17 370.00 TO 710.00
7.50 .00 .00 .00 71U.00 TO 12UO.OU
BAAL.204 39.1'+ 5.38 .00 9.91 25.00 TO 700.0U TR-OOI!
BAC03 20.76 11.69 .00 1!.17 25.00 TO 700.00 L.A-001
BACROI! 3~.02 6. 'II! .00 6.94 25.00 TO 1UO.OU TR-004
BACR201! 41.26 3.24 .00 5.72 25.00 TO 700.00 TR-004
BAFE204 39.19 15.19 .O~ 7.59 25.00 TO 700.00 TR-004
BAM003 TO
-------
OtlTl 1', Oc r. ) ')71 HEAT CIII'I\.CI TY (CIIL/G~nL[/OEG,K) C Mn 1 NUEL1 PAGE: 3
[l.'l.!AI10IJ CI' = A t nT t CT.*~ 011**2
CO\TOI'r~D COlFF 1Cl£;.TS !EVP[KATURE HIINGE KU l!5.00 TO 700.0U LII-OOI
RAS 14.59 -.08 .OU 1.77 25.liO TO 7UU.UU TH-UII9
DlIsC.~ 19.1>4 1(,.14 .00 1.98 ;>5.00 TU 700.0U TK-OiJl
I'1ASO'I 33.76 .lJ3 .00 8.39 25.00 TO 7UU.OU LA-DOl
0l1TI03 29.03 2.04 .00 4.58 25.0n TO ]5UU.OU KU-UUl
Ht..V;>Cf.. 61.'IU 1.70 .00 16.1\9 2~.U\l 10 7UO.I)U TH-004
811'1104 35.02 <'.97 .00 &.80 25,00 TO 700.00 TR-004
HA(N02)2 6.78 SI.40 .UO -2.~6 <;':1.00 10 20U.oo HA-01l5
l'1\(kC;:')?!i20 TO
8/1(~J03)2 30.05 35.70 .00 4.Ul 25.Un TO 571.00 KL-91J':I
CiA C 011);> H,.90 :).Gf1 TO 7:)0.OU T q - 0 IJ 1
Br:CRO!i ;>9.73 'J. 40 .00 8.12 25.0'0 TO 70U.OU TK-004
erCH204 36.'37 (,.?C .00 6.91 25.00 1\.: 7UO.OU TI~-OU4
RF.'FT2Q4 3'+.';;0 Ib.7:; .00 8.7/ 25.CO TO 700.GU TK-004
BEM004 28.51 'J. ') 0 ,UO 6.d5 25.00 10 7UU.OU IH-OU4
BEO 8.45 4.120 .00 3.1' 25.UO 10 7Ull.OU LA-O[Il, CA-012
8ES 10.31 2. f,t . iJ D 2.95 2~.t;n TC 700.UI) TR-UC'J
BES03 15.36 1~.10 .00 ').1' 25.00 TO 7UO.OU TK-OOI
gESQ4 14.47 .W.32 .00 2.1:1 25.00 TO 6un.ou CA-Ou5
eFT I 03 25.5e 4 . '~t) .00 6.67 25.UO TO 7UU.UU TR-004
nAT£ 6 OC T. 1971 HEAT CAPAC1TY (CAL/GMOLE/OEG.K) corn I rNED PAGE: 4
E;;'IJIII10[, C~' = fI + fH + CT**~ 0/T**2
CO~POUNO COEYF1C}£i,TS TEMPERATUHE RM~GE Kt:H.KlNCLS
A r:!!(] 0"'*.3 CX)O**6 L1XIU**-5 [JEG~[E~o Ct.,H X G'~ A CE
BEV2U(, 57.42 4.'72 .00 18.U/ 2~.OO 1U 7UU.Ou TR-004
[JE\'lu4 3U.74 ~. °)3 .CO 7.9b ;:;:~ ,I".JC TO 7U 0.(11) TK-DO'.
HE: C ",02 12 2.4'1 54. 5b .00 -1.7/ 59,UO TO 2UO.OU nA-UO~
BE C ",U3) 2 41.70 20.Y3 ,00 1'1.23 25.00 TO 627.0U I 2.~7 . ~ 0 -3.nu ;C' 4. h4 TO 13'1. UQ ST-':!l/:!
15.80 le.Oj .00 4.23 U4.00 TO 526.80
RE3:"2 15.00 10.64 .00 1.54 .00 TC 1727.00 ST-91!i,ST-'J06
[)X 4.48 5.40 .UU -.Ou 2:>.00 TO 271.~0 LA-OOl,PE-uOl
7.50 .00 .00 .00 271,:50 10 7UO.OU
[1 I cr,;O;~) 3 3.....05 7 Cj . 5 v . ;:~ () -7.41 ')1).. t..; f) 10 2UG.CU KA-005
81([\)0313 62.2':> ~~Y. qd . ;; ') 16.5'1 ?~.~G 10 'jue.eu :,A-U[):)
[)X«)HI3 TI)
H1~o3 24"'.3 e.oo .tJO .uo 25.uO YO 5uU.ou LA-[){J]
8I~s3 2a.89 6.10 .liU . fJ1 25.00 TC 6UU.UU KIJ.onl,LA-OO]
f\!2(f"L?0!i)3 10.3.94 2l.n,2 .00 ;:'3.77 2~.Un TO 5UO.OU T;{-OU4
B12(C03)3 63.89 ~5.5':1 .00 17..H 2~.OO TO 5110.0U TK-(Jr)1
HI2(crW'I)3 U8.5ts 24.1':1 .OU 14.iJ'f 25.UO 10 7UO,OU TK-UU4
'312 (C'<20'1) 3 11 0.30 14.'D .~ ,.., 11.? ;;~ 25. I) n IlJ 5uO.er.; rK-OO'+
. U....J
B12(F[2C'l)3 95.16 6~.17 .00 1U.64 2:'1.no TO 5UO.OO TH-n04
BI2C'~Or.:!i)3 8'1.':11 2:',69 .00 11.04 2~.UO TO 5uO.Uu TK-n04
':Jt2(S'::::<)3 4~.46 ~j.~Q .00 .co 2~.Ca fl. 5IJU.OU TH-(101
<312(S04)3 52.63 61.?2 .00 1. 7'1 25.0n TO 5UO.00 TK-OOI
,H;>(TI03n 16 .lc~ lO.q:J ,:;1) 111. Lt --) ~)~) . I.. r.' TO ~o D .1]1) TR-I.'l:'
'n", r V?f1{,I.~ ]f-II.;U ll.J. :;'7 .:.",. 3'1. <,,4 :' ~ . ; 1 TO ; iJ r.: . I~ U T~-lJ ell
GI2(\'.D'1)3 ':11.6;> J 3. ld .OU 14.3'1 25.tJO TO ')I10.UI1 TK-UU4
,',n (G.~~) TU
dSCGIIS) 5.9(, '1.73 -2.12 .uu 25.uI'I TO 7;>,7.00 .JA-OUI
8203 8.7.S ~:).'fu .uo 1.31 2:) . ~j I! Ie 7U 11. I; IJ I.A-(lfJ1
B2<;3 14.32 22. n.> .00 .67 2~'. 0(1 10 .HIJ.OO TK-OOY
-------
- --.--
DATE 6 OCT. l'Hl HEAT CAPACITY (CAL/GMOLE/OEG.KI CONTINUED PAGE: 5
EQUATION CP = A -+- 8T -+- Ch-2 D/h.2
COMPOUND COEFFICIENTS TEMPERATURE RANGE KEFEKENCES
A AX10..3 CXI0..6 DXI0--~5 UEGREES CENTIGRADE
C 2.90 2.119 .00 1.118 25.00 TO 121.00 .JA~OOl
6.02 .01+ .00 9.15 12-'.00 TO 1127.00
CA 5.02 3.111 .00 -.12 25.00 TO 11110.00 LA-001.PE-001
1.29 7.91 .00 -1.97 111+0.00 TO 7UO.OU
CAAL2011 36.00 5.96 .00 1.96 25.00 TO 1500.0U KU-OU1
CAALII01 66.09 5.48 .00 17.80 25.00 TO 1500.00 KU-OOI
CAC03 211.97 5.211 .00 6.20 25.00 TO 1uO.OU LA-001
CACROII 33.14 6.118 .00 6.62 227.00 TO 621.00 TI(-OOI+
CACR2011 110.31 3.21 .00 5.40 25.00 TO 600.00 TR-004
CAFE2011 39.39 4.76 .00 3.66 25.00 TO 12UO.00 LA-001.KU-00l
CAM003 TO
CAMOO4 31.92 6.98 .00 5.35 227.00 TO 621.00 TR-004
CAO 11.86 1.08 .00 1.66 227.00 TO 621.00 LA-OOl
CAS 10.20 3.80 .00 .00 25.00 TO 121.00 KU-001.LA-001.
TO TR-U09
CAS03 18.11 16.18 .00 1.66 25.00 TO 6UO.OU TR-OOl
CASOII 11.22 23.37 .00 .33 25.00 TO 7UO.OU LA-001.NB-003
CATI03 30.47 1.36 .00 6.69 25.00 TO 1260.00 KU.001
CAV20E. 58.36 11.98 .00 14.87 25.00 TO 600.0U TI{-004
CAWOI+ 311.15 3.01 .00 6.111 227.00 TO 627.00 TR-OOII
CAIN0212 5.90 51.44 .00 -3.28 59.00 TO 200.00 RA-005
CIIIN0312 29.37 36.81 .00 11.13 25.00 TO 521.00 LA-908.KE-909
CACN0312.2H20 TO
CA(N0312.3H20 TO
CACN0312.4ii20 TO
CACOHI2 8.90 23.54 .00 .05 .00 TO 126.80 LA-90B
CA2FE205 47.18 20.75 .00 6.87 25.00 TO 600.00 TR-004
CA3N2 20.114 22.00 .00 .00 25.00 TO 521.00 LA..908.KU.903.
TO KE-909
CO 4.16 3.13 .00 -.36 25.00 TO 321.00 LA~001.PE..001
1.10 ,00 .00 .00 321.00 TO 100.00
COAL2011 36.05 6.112 .00 1.92 25.00 TO 7UO.OU TR-004
DATE 6 OCT. 1911 HEAT CAPAC ITY CCAL/GMOLE/DEG.KI CONTINUED PAGE: 6
EQUATION CP = A + 8T + CT-.2 U/T..2
COMPOUND COEFFICIENTS TEMPERATURE RANGE I(EFEKENCES
A BX10..3 CXI0..6 DX10.--5 OEGREES CENTIGRADE
COC03 22.70 1.94 .00 5.11 25.00 TO 1UO.00 TR..OOl
COCR04 30.93 7.48 .00 4.96 25.00 TO 1UO.OU TR~UOI+
CDCR204 38.11 4.28 .00 ~. 74 25.00 TO 100.00 TR..OOII
CDFE2011 36.10 16.83 .00 5.60 25.00 TO 700.0U TR-004
CDM004 29.11 1.98 .00 3.68 25.00 TO 100.0U TR-OOII
COO 9.65 2.08 .00 .00 25.00 TO 100.00 LA-OOl
CDS 12.93 .81 .00 .00 25.00 TO 700.00 LA..OOl.KU-OOl
CDS03 16.56 11.18 .00 .00 25.00 TO 1UO.00 TR-OOl
CDS04 18.49 18.118 .00 .01 25.00 TO 7UO.00 LA-OOI
CDTI03 26.18 3.06 .00 3.50 25.00 TO 1UO.OU TI(-ou"
CDV206 58.62 2.80 .00 111.91 25.00 TO 1UO.00 n~..oo..
CDWOII 31.91+ ".01 .00 4.80 25.00 TO 100.00 TR-OOII
CDIN0212 3.69 52.1111 .00 .4.911 59.00 TO 2UO.00 RA-005
COIN0312 112.90 19.01 .00 11.06 25.00 TO 627.00 RA..005
CDCN0312.2H20 TO
CDIN0312.I+H20 TO
COIOHI2 TO
CD3N2 TO
cr 5.93 3.711 .00 .10 25.00 TO 717.00 LA-OOl.P(-OOl
8.00 .00 .00 .00 117.00 TO 2121.00
CEN TO
CE02 15.00 2.51 .00 .00 25.00 TO 1100.0U LA-OOl
crs TO
CES2 18.12 .27 .00 ".1J3 25.00 TO 1100.0u TR~009
CEIC0312 111.11 1~.21+ .00 11.511 25.00 TO 1100.00 TR..001
CEIN0213 3.66 78.70 .00 -7.41 59.00 TO 2UO.00 RA-005
Cf.IN02111 3.10 103.20 .00 ..9.88 59.00 TO 2uO.OU RA-005
CEIN03)3 62.~7 28.57 .00 1£..59 300.00 TO 621.00 RA-005
CECN03111 81.51 36.38 .00 22.12 25.00 TO 621.00 RA-OU5
CEIS0312 28.83 32.11 .00 .00 25.00 TO 1700.00 TR-001
-------
OAT£ 6 00 I. l~ 11 r-'flT CfIr'LCIT( (r,',L/(.:::'Lr Il)rr",;) crl~'TJ 1.,Ur;; PAGr: .,
rO:U/IIIOf\J Ci' = fI + DT + CT.'" LI/H *2
COMPOOWO COf.FFIClfJ.TS lO.P[Rf.TUHE ii/Hi(;l t't.FEHt:..NClS
{\ i)X10*",3 C;;1 (;hf, L:xlQ**-5 L1EC,I-?[t.~. CUJT !r;r, ,n :~l
(,L«'0'1)2 j3.61. 3f..UO TO 17UiJ.Oll TH-U!)l
CI"<,') 25017 6..:13 .00 .OU 30U.(I(1 T0 a40.00 CA-OlB
(r?,<:3 30.15 2.91 ,0(1 -.64 30U.OO TO 840.0[1 TR-nu':I
(r'?(cr~?)? b4.~'! ~.:I.9~ .GO n.,n 3Uu.00 TO 8'!U.GO TR-UU1
c:: ? (~r 3)::- 45.90 ~1.63 .no .OU 3uu.OO TU 8'10.00 Tf/-OOl
(f"? (S!:4 J '" !i3.07 ~Y.55 .00 1.74 3UO.00 TO 840.00 TR-001
CI: ":<:'+ TO
r!~ 5.79 2.41 .00 .5Y 25.00 TO 4/+5.00 LI\-OOl,PE-U01
-3.11 1U.46 .00 -15.73 445.00 TO 1UO.uu
CO"Lt'f't! 31. '33 6. :\8 .00 7.52 25.00 TO 1UO.OO TR-UU4
r ""~C'lj 2". :;~) 'I. ')1 .00 5.37 2~.UO TO 12UO.OU TH-U!!l
c:nrf?()/! 32.82 7.4" .00 '+.5& 25.00 TO 100.0U TH-OO"
rncr<204 40.05 4.23 .00 3.33 25.00 TO 12UO.OU TK-OO'+
r.:OFE<'O" 3U,45 31.56 .00 3.01 2~.OO TO 5UO.OU CI\-056
48.21 .00 .UU .OU 50U.OO TO lUUO,UU
C'WOO', 31.5') 7.94 .DO 3.2tS 25.00 TO 1UO.OU TR-004
CO/,POUN() TO
CrO 11.53 2.04 .00 -.4U 25.00 TO 1200.0U LA-OOl
COS 10.69 2./H .00 .O~ 25.00 TO 700.00 L.A.OOl
C%03 16."'1 17.14 .00 ..4U 25.0a TO 12uO.00 TR-OOl
C0S04 .30.09 Y. '31 .00 .01 25.00 TO 1UO.00 L.A-OOl
Cr)TIO~ 2B.66 3.01 .00 3.0':1 25.00 10 12UO.OU TR-OO'+
fJ;V~Of 65.39 -3.'12 .00 17.94 2~.00 TO 1200.00 TR-004
C f)\,J('" 33.83 3.91 .00 4."0 25.00 TO 1200.00 TR-OO"
CO(~;02)2 5.58 52.40 .00 -5.3" 59.00 TO 200.0U KA-005
Cr (;,rJ3J2 4".79 18.91 .00 10.66 25.00 TO 627.00 RA-005
CO( ~I03) 2. 2H20 TO
CD (i,O:~) 2. .3H20 TO
CO(N03J2.4H20 TO
DATE 6 ocr. 1971 HEAT CAPACITY (CAL/GMOLE/OEG.KI CONTINUED PAGE: 8
EIoIUATION CP = A + BT + CT*.2 D/Tn2
COl'POUNO COEFFICIENTS TEMPERATURE RANGE REFERENCES
A BXI0.*3 CXI0n6 OXI0n-5 DEGREES CENTIGRADE.
CO(N0312.6H20 TO
CC(OH)2 TO
CO(01l)3 TO
C02 6.58 9.13 -2.65 .00 25.00 TO 1700.00 L.A-OOl
C02S3 TO
Cr\31\J TO
C0304 30.82 11.01 .00 5.76 25.00 TO 700.00 LA-OOl
([):~S4 3B.27 12.59 .0.0 4.90 25.00 TO 700.00 TK-009
CR 5.8" ~.35 .UU .8<;J 25.UO TO 12UO.OU LA-U01,PE-UOl
C'<1) 9.8/+ 3.90 .00 .00 .00 TO 527.00 KU-903
CR03 21.28 5.40 .00 4.96 25.00 TO 100.0U TK-008
CR(N02)3 5.33 76.50 .CO -5.54 59.00 TO 200.0U RA-005
(;:?(NOnE. .3.45 156.50 .00 -9.81 59.00 TO 200.0U KA-005
Cr.(N0313 64.15 26.50 .00 18.46 25.00 TO 627.00 RI\-005
CR(N0316 121.05 ~6.20 .00 3B.14 25.00 TO 627.00 RA-005
CP.(Oh)3 TO
CR2N 11.01 16.40 .00 .00 25.00 TO 527.00 KE-909
CH?o3 28.52 ,!. 20 .00 3.74 25.00 TO 1200.0U L.A-OU1
CR207 TO
Cr.2S3 34.12 -1.16 .00 3.10 25.00 TO 12UO.OU TK-009
C~i?(C03J3 F.7.h9 19.RO .00 21.05 25.00 TO 12UO.OO TH - 0 (J1
CR;>(Srn)3 4':1.26 47.50 .UO 3.14 2~.00 TO 12uO.OU TR-OU1
cr~2 (Sr.4).3 56."3 55.42 .00 5.48 25.00 TO 1200.0U TK-001
CS 1.50 .00 .00 .00 25.00 TO 28.64 LA-UU1,rE-u01
1.60 .00 .00 .00 26.64 TO 627.00
CS~JO? TO
CSWJ.3 21.57 55.1\7 .0.0 .ou 5U.00 TU 151.UO ~'U-9l2
21.03 32.66 .on .UU lS1.nn To 4U5.UIJ
CS"I03.4H20 10
CS01! 1U
-------
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG,KI CONTINUED PAGE: 9
EQUATION CP = fI + BT + CT**2 D/h*2
COMPOUND COEFFICIENTS TEI":PERATURE RANGE R£FERt:NCES
A !3XI0**3 CXI0**6 DXI0**-5 DEGREES CENTIGRADE
CSDH.H20 TO
CS2AL204 TO
C$2C03 TO
CS2CR04 TO
CS2CR04 TO
CS2FE204 TO
CS2MOOl+ TO
C520 TO
CS2S TO
C52S03 TO
CS2S01+ TO
CS2TI03 TO
CS2V206 TO
CS2W04 TO
CS2IG) 8.85 8.6'+ -3.29 .00 25.00 TO 12UO.OU LA-001
CU 5.40 1.50 .00 -.Ou 25.00 TO 108'+.UO LA-001,PE-001
7.50 .00 .00 .00 108'+.UO TO 12UO.OU
CUAL204 35.67 9.1'+ .00 7.92 25.00 TO 7UO,OU TR-004
CUC03 22.32 10.66 .00 5.77 25.00 TO 7uO.OU TR-001
CUCR04 30.55 10.20 .00 4,96 25.00 TO 7UO.OU TR-OO'+
CUCR204 37.79 7.00 .00 3.74 25.00 TO 7uO.00 TR-OO'+
CUFE02 20.67 lU.23 .00 2.8U 25.00 TO 7UO.OU TR-OO'+
CUFE201+ 33.01 1.36 .00 1.'+'+ 25.00 TO 9UO.OO CA-079
CUM004 29.33 10.70 .00 3.66 25.00 TO 7UO.OU TR-OO'+
CUN02 4.'+7 28.03 .00 ..2.47 59.00 TO 200.0U RA-005
CUN03 24.07 11.32 .00 5.53 25.00 TO 627,00 RA-005
cuo 9.27 '+.80 .00 .00 2!:i.00 TO 7UO,OU LA-001
CUO*CUS04 28.07 21.97 .00 .03 25.00 10 700,OU TR-004
CUS 11.13 3.68 .00 -.22 25.00 TO 7UO.OU TR-009,KE-002
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.KI CONTINUED PAGE: 10
EQUATION CP = A + AT + CT**2 0/T**2
COr.,POUND COEFFICIENTS TEMPERATURE RANGE REFEKENCES
A BX10**3 CX10**6 OX10**-5 DEGREES CENTIGRADE
CUS03 16.18 19.90 .00 .OU 2:>.00 TO 7UO.OU TR..OOI
CUS04 16.80 17.18 .00 .03 25.00 TO 6UO,OU LA-OU1
CUTl03 26.40 5.78 .00 3.5U 25.00 TO 700,OU TR-004
CUV03 31.93 3.21 .00 7.45 25.00 TU 7UO.OU TR-OU'+
CUV206 56.2'+ 5.52 .00 1'+.91 25.00 TO 700.00 TR-OO'+
CUWo'+ 31,56 6.73 .00 4.80 25.00 TO 7UO.00 TR-004
CUIN0212 3.32 5!:i.16 .00 -'+.94 59.00 TO 200.00 RA-005
CUIN0312 42.53 21.73 .00 11.06 25.00 TO 627.00 RA-005
CUIN0312,3H20 TO
CUIN0312.6H20 TO
CUIOHI2 13.71 17.86 .00 -5.99 24.84 TO 160.00 51-918
29.11 .53 .00 12.00 160.00 TO 1227.00
CU2AL204 41.30 10.0'+ .00 7.92 25.00 TO 7UO.OU TR-OO'+
CU2C03 27.95 11,56 .00 5.77 25.00 TO 7UO.OU TR-001
CU2CR04 36.18 11.10 ,00 4.9& 25.00 TO 700.00 TR-OO'+
CU2CR204 43.'+2 7.90 .00 3.74 25.00 TO 7UO.OO TR-OO'+
CU2M004 3'+.95 11.60 ,00 3.66 25.00 TO 700.00 TR..OO'+
CU20 1'+.89 5.70 .00 .00 25.00 TO 700.00 LA-~Ol
CU2S 19.'+9 .00 .00 .00 25.00 TO 103.00 LA..001
23.2'+ .00 .CO .00 103.00 TO 350.00
20"H .00 ,00 ,OU 35U.00 TO 7UO,OU
CU2S03 21.60 20.80 .00 .00 25.00 TO 7uO,OU TR-OOI
CU2S04 24.19 23.40 .00 .58 25.00 TU 7UO.00 TR-001
CU2Tl03 32.02 6.66 .00 3.50 25.00 TO 7UO.00 TR-OO'+
CU2WO'+ 37,19 7.63 ,00 '+,80 25.00 TO 7UO.OU TR-004
CU3N TO
C(OI 6.31 1.96 -.36 .00 25.00 TO 1700.00 LA-001
FE '+.13 6.38 .00 .00 .00 TO 76U.on PE-001
FEflL204 38.05 6.3,+ ,00 8.68 25.00 TO 7UO.00 TR-004
FEC03 11.62 26.78 ,00 .00 2!>.00 TO 5UO.OU LA-OU1
-------
OIlTE 6 OC T. 1971 HEAT CAPACITY (CAL/GMOLl/DEG.K) CONTINUED PAGE: 11
EQUA TI ON CP = A + 8T + CT**2 D/T**2
C OMPOU'"O cm:FFIC IEfHS T01PERATURE RANGE KUUU.NCt::S
A BX10*.3 CX10**6 DX10**-5 UEGREES CENTIGRADE
rECR04 32.94 7.40 .00 5.72 ;>5.00 TO 7uO.OU TR-004
FfCR204 36.96 5.3'+ .00 7.62 25.00 TO 15UO.OU LA-OUl.KU-U01
FTM004 31.72 7.90 .00 4.44 25.00 TO 7uO.OO TR-004
F(O 11.66 2.00 .00 .76 25.00 TU 12UO.00 LA-OOI
F(S 5.19 26.'+0 .00 .00 25.00 TO 138.00 KU-001,LA-UOl
17.'+0 .00 .00 .00 136.00 TO 325.00
12.20 2.38 .GO .00 325.00 TC 1195.00
FEs03 18.57 17.10 .00 .76 25.00 TO 1200.0U TR-OOI
FfS04 20.96 19.7'+ .00 1.3'+ 2~.00 TO 1200.OU TR-001
FfC;2 18.00 1.1& .00 3.12 25.00 TO 700.0U LA-00l,KU-001
FETlO~ 27.87 4.36 .00 4.79 25.00 TO 1370.00 LA-001.KU-00l
FEV206 65.51 -3.1~6 .00 19.09 25.00 TO 1200.00 TR-004
t=EW04 33.'15 3.93 .00 5.5b :? ~; . (j (1 TO 12UO.OU TR-OO'+
F[(iII02)2 5.70 52.36 .00 -4.18 59.00 TO 200.00 RA-005
F((N02)3 12.95 72.40 .00 1.79 59.00 TO 200.00 RA-005
F((N03)2 44.91 18.93 .00 11.82 25.00 TO 627.00 HA-005
Ff(N03)2.6H20 TO
F[(NO:~)3 71.71 22.::>7 .00 ;'5.130 25.00 TO 627.UU RA-UU5
FE(N03)3.91120 TO
FE(OH)2 26.13 3.1 '+ .00 3.69 24.84 TO 1227.00 ST-918
Ff(OH)3 31.74 7. BO .00 9.04 24.64 TO 1227.00 SJ-91B
FE2N 1'''91 6.09 .00 .OG 25.00 TO 727.00 KU-903,KE-909,
TO LA-908
F[203 23.48 IB.59 .00 3.55 25.00 TO 617 .00 LA-001
35. ';)8 .00 .00 .00 671.(J0 TO 767.00
31.70 1.76 .00 .OU 767.00 TO 12UO.OU
t=E2T104 '10.4'1 '1.98 .00 5.0~ 25.Gr. TO 12UO.OU TR-U04
FE2TI05 40.61 19,';7 .00 7.04 25.00 TO 677.00 TR-004
FT2 (AL204) 3 105.67 2'1.71 .UO 29.37 25.UI) TO 7uO.OU TR-U04
FE2(C03)3 82.9.3 11.33 .00 35.72 25.00 TO 12UO,OU TR-001
FE2(CR04)3 90.31 3U.'-)5 .00 <:U.47 25.00 TO 7UO.OU TR-UU4
DATE 6 OC T. 1971 HfAT CAP/'CITY (CAL/GMnLf/OEG.K) CONTINUEO PAGE: 12
EQUATION CP = A + 9.34 .33 .00 29.6.:1 2~.OO TO 12UO.OU TR-004
FT2 P~O()4) 3 86.64 .:12.45 .vO 16.64 25.liO TO 7uO.ou TR-004
FE2(S03)3 44.21 63.119 .00 3.55 25.00 TO 671.00 TR-001
FE2(S04)3 51.38 71.81 .UO 5.29 25.00 TO 6UO,OU TR-0111
t=E2(T!03)3 ~5.16 -3.33 .00 28.9iJ 25.0" TO 12U(1.0U TR-004
FE2(V?06).3 205.32 -22.6'+ .00 73.42 25.UO TO 1200.0U TR-004
FE2(WO'l).3 110.65 -.47 .00 ~2.80 25.00 TO 12uO.OU TR-OO'l
F(304 21.87 '.8.1') .00 ,00 ?5.GD TO 627.0J lA-OOl
47.97 .00 .00 .00 627.00 TO 1200.00
Ff4N 26.84 8.16 .00 .00 25.00 TO 727.00 LA-908
G". 6.23 .00 .00 .OU 25.00 TO 29.7P. LA-UUl
6.64 .OU .00 .00 29.78 TO 7UO.OU
GAN TO
GA~ TO
GIICN02)3 -3.05 88.10 .00 -7.41 59.00 TO 2UO.OU RA~005
GIIUJ03)3 55.77 37.~9 .UO 16.59 25.00 TO 600.UU nll-U05
G,,(CH).3 TO
GA203 11.77 25.18 .00 .00 25.00 Tv 6UO.OU LA-Olll
GA2S3 17.34 ~1.8~ .UO -.6'1 25.00 TO 6UO.OU TR-009
GA2(C(13)3 50.93 '12.78 .00 17.31 25.00 TO 6UO.OU TK-001
GA2(SC3).3 32.5U 70.4'; .on .011 25.CG TO 6lJO.Ul1 TK-001
GA2(S04)3 39.67 7B.40 .00 1.74 25.00 TO 600.00 TR-OUl
GE 5.94 .88 .00 .54 25.00 TO 937.20 LA-OOl
7.00 .0(; .00 .00 937.20 TO 12UO.OU
GEO(GAS) TO
GE02 11.19 7.17 .00 .00 25.00 TO 707.0U LII-OUl
GES 10.66 3.72 .00 .OU 25.0~ TO 17UlJ.OU CII-072
GrS2 1'+.14 6.25 ,00 .00 25.00 TO 825.00 CA-072
GE(C03)2 37.31 18.90 .00 11.54 25.00 TO 707.0U TR-001
G((S03);> 25.02 37..:17 ,00 .00 25.00 TO 7uO.00 TR-0f11
-------
DATE 6 OC T. 1971 HEAT CAPACITY (CA~/GMO~E/DEG.KI CONTINUED PAGE: 1.5
El.IUATION CP = A + 8T + CT**2 0/Tu2
CONIPOUND COEFFICIENTS TEMPERATURE RANGE RE.FERENCE.S
A BXI0**3 CXI0n6 DXI0u~5 DEGREES CENTIGRADE
GE(SO~12 29.80 112.65 .00 1.16 25.00 TO 7UO.OU TH-OUl
GE3N4 TO
HF 5.73 1.19 .00 -.00 2:J.00 TO 12UO.OU LA-OOI
HFN 9.811 2.22 .00 .00 25.00 TO 1121.00 KE.~909
HF02 17.38 2.08 .00 3.48 25.00 TO 1200.0U LA-OOI
HFS2 21.11 -.16 .00 3.05 25.00 TO 1200.00 TR-009
HF(C0312 113.~9 13.81 .00 15.02 25.00 TO 12UO.00 TR-OOl
HF(N0214 5.118 102.80 .00 ..6.ln 59.00 TO 200.00 HA-005
HF(N0314 113.89 35.95 .00 25.60 2~.UO TO 621.00 RA-005
HF(S03J2 31.20 32.28 .00 3.~8 25.00 TO 1200.00 TR-OOI
HF(SO~12 35.98 37.56 .00 11.611 2:J.00 10 1200.00 TR-OOI
H2 6.911 -.19 .117 .00 25.00 10 12UO.00 JA-001
H20(GASI 6.78 3.57 -.~6 .00 25.00 10 2700.0U LA-OOI
IR ~.56 1.112 .00 .00 25.00 TO 1200.0U LA-OU1.PE-00l
IR02 9.17 15.19 .00 .00 25.00 TO 7UO.OU LA-GOI
IRS2 12.89 12.95 .00 -.~3 25.00 TO 700.0u T/'<-009.wE-001
IRS3 10
IR(SO~12 27.77 50.68 .00 1.16 25.00 TO 7UO.OU TR-001
IR2S3 TO
K 7.16 .00 .00 .OU 25.00 TO 63.20 LA.,001
8.91 -1I.6~ 2.99 .00 63.20 TO 700.0U
KAL02 22.16 6.83 .00 ~.16 25,00 TO 700.0U TR-OOII
KFE02 29.811 2.61 .00 8.62 25.00 TO 900.00 TR-OOII
KN02 5.98 29.84 .GO ~2.27 59.00 TO 2UO.OU RA~005
KN03 111.55 28.39 .00 .00 25,00 TO 127.90 LA-908
28.80 .00 .00 .00 127.90 TO 3311.50
29.~9 .00 .00 .00 5311.30 TO ~27.0n
KOH 2.07 38.79 .00 -.31 .00 TO 2119.00 ST~917
18.80 .00 .00 ,OU 2119,00 TO 1227.00
KOH,H20 10
OATE 6 OC T. 1971 HEAT CAPACITY (CA~/GMO~E/DEG.KI CONTINUED PAGE: 111
El.IUATION CP = A + 8T + CT**2 0/T,0*2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFERENCES
A HXI0,,,*3 CXI0**6 OXI0u..5 DEGREES CENTIGRADE
KOH.O.75H20 TO
KOH.2H20 TO
KV03 36.25 1.57 .00 9.68 25.00 TO 900.00 TR-OOII
K2C03 50.97 15.19 .00 6.17 25.00 TO 900.0U JA-001
K2CRO~ 39.19 111.72 .00 5..3b 25.00 TO 700.0U TR-QOII
K2CR20~ 116.~.3 11.52 .00 '1.111 25.00 TO 900.0U TR-OOII
K2MOOII 37.97 15.;>2 .00 'I.OCJ 25.00 TO 7UO.OO TR-QOII
K20 17.91 9..32 .00 .110 25.00 TO 900.00 LA-OOI
K2S 16.78 1I.7~ .00 .OU 25.00 TO 5'17.00 DW-001
K2S03 2~.82 2~.42 .00 .~O 25.00 TO 1200.0U TR-OOI
K2S011 28.76 2.3.79 .00 ~.26 2~.OO TO 595.00 LA-001
.33.59 13.40 .00 .00 595.00 TC lU69.UO
~7.78 .00 .00 .OU lU69.UO TO 12UO.OU
K2TI03 55.04 10.30 .00 3.9U ?:J.OO TO 9UO.OU TR-OOII
K2W04 40.21 11.25 .00 5.20 25.00 TO 9UO.OU TH-OO~
LA 6.17 1.60 .00 .00 25.00 TO 5118.00 LA-001,PE-001
LAN TO
~AS TO
LlIS2 TO
LA(N0213 5.50 77.10 .00 -5.78 5<;.00 TO 2UO.OU RA-005
LA(N03)3 6'1.31 26.94 .00 18.23 2~.00 TO 627.00 RA-Q05
LA(N0313.6H20 TO
L/l203 28.86 3.07 .00 .3.27 25.00 TO 700.00 NB-00.3.LA-001
L/l2S.3 311.114 -.29 .00 2.62 25.00 TO 700.0U TR-009
LA2(C0313 68.03 20.67 .00 20.58 25.00 TO 700.0U TR-OOI
LA2(S03J3 49.59 118.37 .00 3.27 25.00 TO 7UO.OU Tf~..OOl
LA2(SO~13 56.76 56.29 .00 5.01 25.00 TO 7UO.OU TH-001
LI 5.11 4.47 .00 .52 25.00 TO 180.50 ~A.,001
8.~6 -3.51 1.96 .00 18U.50 TO 7UO.OO
LI AL02 20.66 5.21 .00 5.65 25.00 TO 700.0U TR-004
-------
------------- ------- ----
DATE 6 OCT. 1971 HEAT CAPACITY (CAL/GMOLE/DEG.KI CONTINUED PAGE: 15
EIoIUA TI ON C:P = A ... AT ... Ch*2 0/T**2
COMPOUND COEFF IC IErJT5 TEMPERATURE RANGE REFEKENCE5
A BXI0**3 CX10**6 DXI0**-5 DEGREES CENTIGRADE
LIFE02 20.69 10.42 .00 4.49 25.00 TO 7UO.00 TR-OO"
LIN02 ".49 28.22 .00 -.78 59.00 TO 2UO.OU RA-005
LIN03 1".98 21.20 .00 .00 25.00 TO 253.00 LA-908
26.60 .00 .00 .00 253.00 TO 427.00
LIN03.3H20 TO
L.IOH 2.99 23.75 .00 .11 .00 TO 471,30 5T-917
17.5.3 2.87 .00 10.63 471.30 TO 1727,00
LIOH.H20 ".23 50.8" .00 .28 .00 TO 24.99 LA-908
LIV03 31.95 ~...O .00 9.14 25.00 TO 7UQ.OU TR-OO"
LI2C03 5.04 '+9,66 .00 .2.8~ 2~.00 TO "10.00 JA-OOl
4.30 "2.42 .00 1.35 410.00 TO 720.00
LI 2CR04 36.22 11.48 .00 8.33 25,00 TO 700.0U TR-004
U2CR204 43.46 8.28 .00 7.12 25.00 TO 700.00 TK-OO'+
LI2M004 3".99 11.98 .00 7.0& 2:>.00 TO 700.0U TR-004
LI20 14.9.3 6.08 .00 3..38 25.00 TO 700.00 LA-UOl
LI25 16.79 4.96 .00 3.1& 25.00 TO 7UO.00 TR-009
LI2503 21.84 21.18 .00 3.38 25.00 TO 700,00 TR-OOl
L.I2504 2".2.3 23.82 .00 3.96 25.00 TO 7UO.OU TR-OOl
LI2T103 32.06 7.06 .00 6.88 25.00 TO 700.00 TR-004
LI 2\0104 37.23 6.01 .00 8.17 25.00 TO 700.0U TR-004
LI3N 27.71 ~.92 .00 10.13 24.84 TO 1727.00 5T-918
MG 5.52 2.33 .00 .30 25.00 TO 6"9.50 L.A-001,PE-OOl
8.10 .00 .00 .00 649.50 TO 727.00
M6AL204 36.80 6.40 .00 9.78 25.00 TO 1500.00 KU-OOl
MGC03 18.61 13,79 .00 '''16 25.00 TO 427.00 JA-001,L.A-00l
MGCR04 31."6 7.1'+ .00 &,"'+ 25.00 TO 700.00 TR-OO"
MGCR204 40.20 3.56 .00 9.58 25,00 TO 1500.00 KU..OOl
MGFE204 21.05 4".~5 .00 .00 25.00 TO 392.00 LA-OOl
..5.39 .00 .00 .00 392.00 TO 957.00
25.66 1~.57 .00 IOU 957.00 TO 1750.00
MGM004 25.19 12.60 .00 .00 25.00 TO 827,00 CA-0.76
DATE 6 OC T. 1971 HEAT CAPACITY CChL/GMOLE/DEG,KI CONTINUED PAGE: 16
EQUATION CP = A ... AT ... CT**2 D/h*2
COMPOUND COEFFICIENTS TEMPERATURE RANGE KE.FEKENCES
A '3X10**.3 CX10**6 DX10**-5 DEGREES CENTIGRADE
MGO 10.17 1.7'+ .00 1.'+8 25.00 TO 1727.00 LA-OOl
MGS 9.24 2.50 .00 -.01 25.00 TO 7UO.00 JA-OOl
/oIG50.3 17.09 16.!J4 .00 1.48 25.00 TO 7UO.OU TR-OOl
MG504 16.53 21.80 .00 .02 25.00 TO 1127.00 JA-OOl
MGTI03 28.29 ~.28 .00 6.5~ 25.00 TO 15UO.OU KU-001,L.A-U01
I-'GTI205 4«+.«+.3 .s.70 .00 8.40 25.00 TO 12UO,OU TR.004
MGV206 6«+.03 -3.72 .00 19.81 25,00 TO 1200.0U TR-OO«+
MGWO«+ 32.'+7 3.67 .00 &.27 25.00 TO 1200.00 TR-OO"
MGIN0212 4.22 52.10 .00 -3.«+6 59.00 TO 20U.OU RA-005
MGIN0312 10.68 71.20 .00 -1.79 25.00 TO 327.00 LA-'306,KE-909
MGIN0312.?H20 TO
MGIN0312.6H2D TO
MG(OHI2 2.12 '+8.4'+ .00 .10 .00 TO 226.80 5T-916
16.59 15.39 .00 1.8«+ 22&.80 TO 726.80
MG2TI 04 35.96 8.5«+ .00 6.89 :>5.00 TO 1545.00 KE-002
MG3N2 20.77 11.20 .00 .00 25.00 TO 550.00 KU-903,K(.909
20.07 10.6& .00 .00 550.00 TO 788.00
26.50 .00 .UO .OU 78&.00 TO lU27.UO
MN ~.76 7.47 .00 .00 .00 TO 825.00 PE-001
MNAL204 37.50 6.26 .00 8.80 25.00 TO 700.0U TR-004
MNC03 21.99 9.~0 .00 ".69 25.00 TO 427.00 LA-001,KE-002
MNCR04 32.39 7.34 .00 5.6&+ 25.00 TO 700.00 T~-OO'+
MNCR204 39.63 «+.14 .00 ".62 25.00 TO 1200.00 TR-004
MNFE204 5'+.87 -'+.32 .00 19.29 25.00 TO 12UO.OU TR-OO«+
MNM004 31.12 7.83 .00 '+.56 2:>.00 TO 7UO.00 TR-004
MNO 11.10 1.94 .00 .88 25.00 TO 1200.00 LA.OOl
MN02 16.59 2.4«+ .00 3.88 25.00 TO 500.0U LA-OOl
MrJS 11.'+0 1.80 .00 .00 25.00 TO 1200.0U LA-DOl
MNS03 18.01 17.04 .00 .88 25.00 TO 12UO.OU TR-OOl
MN50" 29.24 8.92 .00 7.0" 25.00 TO 7UO,OU L.A-OOl
-------
'-----
I
DATE 6 OCT. 1 '371 HEAT CAPACITY ICAL/GMOLE/DEG.KI CONTINUED PAGE; 11
EQUATION CP = A + 8T + CT**2 D/T**2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFERE.NCES
A BX10**3 CX10**6 DXlO**-5 DEGREES CENTIGRADE
MNS2 20.31 .20 .00 3.~~ 25.00 TO 500.00 TR-OO'3
MNTI03 28.2'+ 2.92 .00 ~.38 25.00 TO 1200.0U TR-OO~
MNV206 6~.96 -3.52 .00 19.21 25.00 TO 1200.0U TR-OU'+
MNWO'+ 33.39 3.81 .00 5.68 2~.00 TO 1200.00 TR-aO'+
MNIN0212 5.15 52.30 .00 -~.06 59.UO TO 2UO.OU RA-UU5
MNIN02J3 3.'+3 19.10 .00 -5.80 59.00 TO 2UO.00 RA-005
MNIN02),+ ~.69 1113.2U .00 -6.0J 59.00 TO 2uO.OU RA-005
MN(N03)2 ~'+.36 18.81 .00 11.9'+ 25.00 TO 627.00 RA-005
MN(N03)2.3H20 TO
MN(N03)2.~H20 TO
MNIN03)2.6H20 102.59 H8.1 0 .00 .00 25.00 TO 127.00 MA-925
MNHJ03)3 62.25 29.59 .00 18.21 25.00 TO 627.00 RA-005
Mn(ND3)~ 83.10 36.31 .00 26.0U 25.00 TO 500.00 RA-005
MrJIOH)2 TO
MNIOHI3 TO
MN(SO'+)2 35.19 37.92 .00 5.0'+ 25.00 TO 500.0U TR-OOl
MN203 2~.13 8.38 .00 3.23 25,00 TO 700.0U L.A-OOl
MN2IAL20~)3 103.911 21.110 .00 21.00 25.00 TO 700.00 TR-OO'+
MN21C03)3 63.89 25.97 .00 20.5" 25.00 TO 7UO,OU TR-OOl
MN2(CRO,+)3 88.58 2'+.57 .00 18.10 25.00 TO 1UO,OU TH-OO~
~N2(CP.20~)3 110,30 1'+.97 .00 1".~~ 25.00 TO 700.00 TH-OO"
MN2(FE204)3 10~,10 52.6~ .00 20.0~ 25.00 TO 7UO.OU TH-OO~
MN2(M00413 8'+.91 26.07 .00 1'+.26 2~.00 TO 7UU.OU TR-OO'+
MN2(S0313 45.~6 53.&8 .00 3.23 25.00 TO 700.0U TR-OOl
MN2(S0413 52.63 61.6u .00 ".97 2~.00 TO 7UO.OU TR-OOl
r~r:2 (TI03) 3 76,12 11.31 ,00 13.72 <'5.00 TO 7UO.OO TR-004
MN2(V206)3 171. &'+ 10.55 .00 47.95 25.00 TO 700.0U TR-004
MN21W04)3 91.62 14.16 .00 17.62 25.00 TO 7UO.OU TR-OO"
MN3N2 22,32 22.'+0 .00 .00 25.00 TO 527.00 KE-909,LA-908
DATE & OC T. 1971 HEAT CAPACITY (CAL./GMOLE/DEG.K) CONTINUED PAGE: 18
EC.lUATION CP = A + 8T + CT**2 011**2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFERENCES
A BX10...3 CXI0**6 OX10**-5 ~EGREES CENTIGRADE
MN304 34.62 10.82 ,00 2.20 25.00 TO 1172.00 LA-OOl
50.17 .00 .00 ,00 1172,00 TO 1221,00
MN4N 21.15 30.50 ,00 .00 25,00 TO 527.00 KE-909
MN5N2 30,55 38,40 .00 .UU 25,00 TO 527.00 KE-909,KU-'303
MN8N2 42,30 60,99 .00 .00 25.00 TO 527.00 LA-908
MO 5.31 1.49 .00 -.00 25.00 TO 1200.00 LA-001,PE-00l
M002 TO
"'1003 20,06 5.90 ,00 3,68 25.00 TO 7UO.OU L.A-001
MOS2 11.20 13.50 .00 .ou 25,00 TO 450.00 KE-002
MOS3 25,64 2.5" .00 3,03 25.00 TO 7UO.OO TR-009
MO(C0313 59.23 23.50 ,00 20,99 25.00 TO 700.00 TR-OOl
MO(S03)3 '+0.79 51.20 .00 3.&8 25,00 TO 1UO.OU TR-OOl
MO(S04)3 '+7.96 59.12 .00 5.42 25.00 TO 7UO.OU TR-OOl
M02N 11.19 13,8u .00 .OU 25.00 TO 527.00 KE-909,LA-908,
TO KU-903
M02S3 TO
NA 6.74 ,DO .00 .OU 25.00 TO 91.82 LA-OOl
9,08 -5.02 2,87 .00 97.82 TO 7UO.OU
NAAL02 21.05 ~.81 ,00 3.96 25.UO TO 7UO.OU TR-OU'+
IIJACL 9.88 5.42 ,00 -.5" 25.00 TO 721.00 JA-OOl
NAFE02 21,08 10.08 ,00 2.80 25.00 TO 100.00 TR-004
NAN02 ~.85 21.92 .00 -2.49 5':1.00 TO 2UO.00 NO-905
NAN03 6,34 53.52 ,00 .00 25.00 TO 216.20 KE-909
35.70 .00 .00 .00 27&.20 TO 30&.2U
51.00 ,00 .CO .00 30&,20 TO 421,00
NAOH 1.80 35.97 .00 -.20 .00 TO 292.95 ST-911
20,56 .00 .00 ,00 292.95 TO 1727.00
NAOH,H20 TO
NAO~.2H20 TO
NJlOH.3H20 TO
NAOH.3.51120 10
-------
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.KI CONTINUr.O PAGE: 19
EQUATION CP = A + AT + C1'**2 D/T**2
CO~~POUNO COEFFICIENTS TEMPERATURE RANGE IH.FEIH.NCES
A BX10u3 CXlO**6 OXlO**-5 UEGREES CENTIGRADE
NAOH.IIH20 TO
NAOH.5H2C TO
NAOH.7H20 TO
NAV05 52.33 5.06 .00 7.1+5 25.00 TO 700.00 TR-OOI+
NA2C03 2.65 58.53 .00 "5.85 25.00 TO 1+86.00 LA-001.JA-001
12.08 30.68 .00 1.27 1+86.00 TO 851+.00
NA2CROl+ 36.98 10.80 .00 1+.96 25.00 TO 700.0U TR-OOI+
NI\~CR201+ 1+1+.22 7.59 .00 3.74 25.00 TO 7UO.OU TR-OOI+
~J!l2~004 35.75 11.28 .00 3.68 25.00 TO 7Uo.OU TR-OOII
NA2M0207 55.79 17.11 .00 7..% 25.00 TO 1UO.OU TR-OUI+
NA.8 .00 -.22 25.UO TO 1UU.ou KE.-OU2
NA2S03 22.60 20.50 .00 .00 25.00 TO 7UO.OU LA-001.CA-D04
t'A2S011 15.55 52..71 .UU .00 :>::>.UO TO 259.UO LA-OUl
29.05 19.33 .00 .00 259.00 TO 881+.00
41.16 .Ou .00 .00 8B4.00 TO 1200.0U
NA2TI03 25.18 2.0.12 .00 .00 25.00 TO 281.00 KU-001.LA-001
25.95 17.00 .00 .00 287.00 TO 1100.00
NA2TI205 1+9.32 7.0t> .UO 'h6u 25.00 TO 10UO.UU KU-OOl
NA2TI 307 63.46 10.64 .00 5.61+ 25.00 TO 1100.0U KU-001
NA2W04 37.99 1.33 .Oc, 11.80 25.00 TO 700.0U TR-OOII
NI\?W201 60.28 9.25 .00 9.59 25.00 TO 700.0U TR-OOI+
NO 5.66 .96 .00 -.00 25.00 TO 1.<00.00 LA-OOl
NAO TO
NH02 TO
NB205 36.22 5.54 .00 11.88 25.00 To 1200.00 LA-OOl
NB2s5 1+5.53 -.07 .00 3.81 25.00 TO 1200.0U TR-OO'J
N[J2(C0315 101.1+9 31+.87 .00 35.75 25.00 TO 1200.00 TR-001
N[32(S0315 70.7'/ 81.0'+ .00 11.88 25.UO TO 12uO.OU TR-OU1
r'JB2 (SCII 15 82.72 9'+.2'+ .110 7.78 25.UO TO 1200.0U TR-OOl
DATE 6 OCT. 1911 HEAT CAPACITY (CAL/GMOLE/OEG.K) cOin INUED PAGE: 20
((WATION CP = A + 8T + CT**2 D/T**2
COMPounD COEFFICIENTS Tn:PER A TURE RANGE REFERENCES
A BXI0**3 CX10**6 DX10**-5 DEGREES CENTIGRADE
~11 '+.11 6.95 .00 ,02 25.00 TO 357.20 LA-OU1.PE-00l
6.UU 1.80 .DC -.01 357.20 TO 12UO.ou
NIIIL2011 113.33 .23 .00 12.4U 25.00 TO 7UO.OU Tf(~OOIi
NIC03 25.87 6.57 ,00 7.06 ?5.00 TO 1~00.01J TR-OOI
NICR04 38.21 1.2':1 .uo ':I, '1.1 25.01) TO 7UO.OU TR~OO'+
r.;Icr;2011 '+1.34 2.90 .00 5.05 25.UO TO 1200.0U TR~OOIf
~JIFE20'+ 51.62 2/:!.25 .00 '+.6(, 25,00 TO 582.00 CA-056
118.66 .lie .co .00 5£12.00 TO lUUO.UU
NIMOOI+ 36.98 1.79 ,OU 1:1.16 25.00 TO 7uO.Ou TR-OU4
NIO ~4.99 31.5b .00 -3,8':1 25.(J1) TO 250.00 LA-001
11.18 2.02 .uo .OU 250.UO TO 12UO.OU
NIS '.:1.25 12./:\0 .00 ,00 25.00 TO 321.00 LA-001.KU-001
NIS03 27.69 7.213 .UO ~.5b 25.00 TO 7UO.00 TR-001
NIS04 3U.08 9.92 .00 .ou 25.uO TO 7UO.UU LA-001
~,I TI 03 2'J.95 1.68 .UO 4,1\1 2::>.UO TO 12UO.OU TR-OOlf
NIV20e. 66.61 -11.76 .00 19.65 2::>.UO TO 1200.0U TR~UUII
tJl.IO'+ 35.11 2.63 .CO 6.11 25.00 TO 1.200.00 TH-OOI+
NI(N0212 6.86 51.06 .00 -3.63 5'J.00 TO 2UO.OU RA~005
NI(N0312 116.07 17.6'+ ,00 12.Y/ 2~.OO TO 627.00 RA-005
NI(N0312,3H20 TO
NI(N0312.6H20 TO
NIIOHI2 TO
r.JIfOH13 TO
NI3N TO
NI3S2 TO
NO(G) 7.03 .92 .00 .14 25.00 TO <'227.00 KE-9U'.:I
N02(GI 10.01 2.28 .OU 1.67 25.00 TO 1727.00 KE-909
N?03«(,1 20.50 2.05 .00 5.14 25.00 TO 1827.00 ST-906
N201+(GI 26.09 2.72 .UO 7.95 21+.81+ TO 1827.00 ST~906
N205 12.29 36.00 .00 .00 25.UO TO 32.1+0 ST-'.:I06
-------
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.KI CONTINUED PAGE: 21
Et.lUATION CP = A + AT + CT**2 D/T**2
COfl/'POUND COEFFICIENTS TEMPERATURE RANGE REFERENCES
A BX10u3 CX10**6 OX10u-5 DEGREES CENTIGRADE
N2051GI 3'+.2'+ .7~ .00 15.'+0 32.'+0 TO 1727.00 ST..906
N21GASI 6.30 1.83 ...33 .00 25.00 TO 1727.00 JA..001
02 6.53 2.06 ".36 .00 25.00 TO 2700.00 LA..OOl
PA 5.67 2.26 .00 .02 25.00 TO 327.40 LA..001,PE~UOI
7.86 .9'+ .21 .00 327.40 TO 7uO.OU
PRAL204 37.00 8.34 .00 7.92 25.00 TO 600.0U TR"004
PBC03 23.65 ~.87 .00 5.77 25.00 TO 6uO.OU TR"OOl
P[3C03*PBO TO
PBC03*2PBO TO
PBCR04 31.88 9.40 .00 '+.9& 25.00 TO 6UO.OU Tt~-004
PBCR204 39.12 6.20 .00 3.74 25.00 TO 600.00 TR..OO'+
PAFE204 3'+.07 22.59 .00 3.55 25.00 TO 6UO.OU TR"OO'+
PSMOO" 30.60 9.90 .00 3.68 25.00 TO 600.00 TR-OO'+
PBO 10.60 4.00 .00 .00 25.00 TO 600.00 LA-OOl
PSo*PBS04 21.55 35.01 .00 ..'+.20 25.00 TO 6UO.OU TR-OU4
PB02 12.70 7.80 .CO .OU 25.00 TO 7UU.OU LA-OOl
PSS 10.66 3.92 .00 .00 25.00 TO 6UO.OU KU-001,LA-UOl
PBS03 17.51 19.10 .00 .OU 25.00 TO 6UO.00 TR-OOl
PBSO'+ 10.94 31.01 .00 -'+.2U 25.00 TO 700.00 LA-001
PBTI03 18.70 23.30 .00 .00 27.00 TO 6UO.OU KU-OOl
PBV206 57.11 7.90 .00 13.21 25.00 TO 6UO.OU TR-OO'+
PAw04 32.89 5.93 .00 '+.80 25.00 TO 6UO.OU TR-OO'+
PAIN0212 '+.64 54.36 .00 -4.94 59.00 TO 2UO.OU RA-005
PAIN0214 .79 lU8.5U .00 -9.88 5'.:1.00 TO 2UO.OU RA..OU5
PBIN0312 43.85 20.93 .00 11.06 25.00 10 600.00 RA-005
PBIN0314 79.21 '+1.67 .00 22.12 25.00 TO 627.00 RA-005
PBIOHI2 TO
P81S0412 31.30 '+3.28 .00 1.16 25.00 TO 700.00 TR-001
PB304 TO
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.KI CONTINUED PAGE: 22
EQUATIOill CP = A + 8T + CT**2 0/T**2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFERE.NCES
A AXI0**3 CX10**6 DXlO**-5 DEGREE.S CENTIGRADE
PO 5.87 1.33 .00 .1'+ 25.00 TO 12UO.00 LA-001,PE-U01
PDC03 16.35 20.06 .00 5.77 25.00 10 5UO.00 TR-OOl
PDO 3.30 14.19 .00 .ou 25.00 TO 5UO.OU LA-001
PDS 5.16 13.07 .00 -.21 25.00 10 5UO.00 TR-OO'.:!
PDS03 10.21 29.29 .00 .00 2~.00 TO 7UO.OU TR-OOl
PDS04 12,60 ~1.93 .00 .58 25.00 TO 5UO.00 TR-001
PDS2 10
RBN02 TO
RAN03 25.11 '+U.70 .00 .00 50.00 TO 160.00 MU-911
27.'+9 69.80 .00 .00 160.00 TO 22U.00
56.06 16.50 .00 .OU 22U.00 TO 281.00
39.00 .00 .00 .0\1 281.00 TO 310.00
51.61 2.02 .00 .00 310.00 TO 55U.00
RBoli TO
RBOII.H20 TO
RAOH.2H20 TO
Rf32C03 28.38 .00 .00 .OU 25.00 TO 26.00 LA-001
RB20 TO
RB2S TO
RA2S03 10
RA2S011 TO
RE 5.66 1.30 .00 -.00 25.00 10 1200.0U LA-'OOl,PE-001
RE02 TO
RE03 TO
RES2 TO
RES3 TO
RE207 TO
RE200 TO
RE2S7 TO
RH 5.'+9 2.0& .00 .01 25.00 TO 1200.00 LA-001,PE.-001
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DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.K) CONTINUED PAGE: 23
EQUATION CP = A + AT + CT**2 D/T**2
COMPOUND COEFFICIENTS TEMPEHATURE RANGE REFERENCES
A aXI0*-3 CXI0**6 UXI0**~5 UEGREES CENTIGRADE
RHC03 22.89 11..39 .00 5.77 25.00 TO 700.00 TR~OOl
RHO 9.8~ 5.53 .00 .00 25.00 TO 700.00 LA~OOl
RHS 11.70 ~.ijl .00 ~.21 25.00 TO 700.00 TR-009
RHS03 16.75 20.63 .00 .00 25.00 TO 700.00 TR~OOl
RHSO~ 19.~0 2.3.27 .00 .58 25.00 TO 7UO.OU TR-OOl
RH20 15.60 6.~7 .00 .00 25.00 TO 900.0U LA-DOl
RH203 20.72 13.7& .00 .00 25.00 TO 900.00 LA-OOl
RH2S 17.~7 5..35 .00 -.21 25.00 TO 9UO,OU TR~009
RH2S0ij 2~.90 2ij.21 .00 .58 25.00 TO 600.0U TR~OOl
RH2S3 26.31 10.ij2 .00 -.6~ 25.00 TO 9UO.OU TR-009
RH2IS0~)3 ij8.62 67.01 .00 1.7ij 25.00 TO 6UO.OU TR-Oul
RU 5.2ij 1.50 .00 -.00 ?5.00 TO 727.00 LA-OU1
7.20 .00 .00 .OU 727.00 TO 12UO.OU
RU02 TO
RU03IGAS) TO
RUO~(GAS) TO
RUS2 TO
S 5.~1 .00 .00 .00 25.00 TO 115.18 JA~UU1
7.~6 ~9.8~ 15.H .00 115.18 TO ijijij.60
3.39 6.86 ~.OO .00 ~~~.60 TU 1200.00
SB 5.50 1.76 .00 .00 2~.OO TO 6.30.90 LA~OU1.PE-UOl
7.50 .00 .00 .00 63U.90 TO 7UO.00
SB203 19.09 17.08 .00 .00 25.00 TO 900.0U LA-001
SB20~ 22.60 16.20 .00 .00 25.00 TO 700.00 LA~OOl
SB205 TO
SB2S3 211.20 13.20 .00 .00 25.00 TO 6118.00 KU~001.KE-002
SB2IAL20~)3 98.30 30.10 .00 23.77 25.00 TO 700.00 Tt~-OO~
S82(C03)3 58.25 ~1I.68 .00 17.31 25.00 TO 900.0U TR-OOI
SB2ICRO~)3 82.9~ .3~.28 .00 111.87 25.00 TO 700.0U TR~OOIl
SB2(CR20ij)3 10~.66 2~.67 .00 11.22 25.00 TO 900.0U TR-OOII
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.K) CONTINUEO PAGE: 2'+
EQUATION CP = A + BT + CT**2 D/T**2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFERENCES
A BXI0**3 CXI0**6 DXI0**-5 DEGREES CENTIGRADE
SF!2(FE20~)3 lijll.IIO 5.12 .00 50.51 25.00 TO 9UO.OU TR~UUij
SB2IMOO~)3 79.27 ~'+.78 .00 11.0ij 25.00 TO 7uO.OU TR-OO'+
SF\2IS03)3 39.82 62.38 .00 .00 25.00 TO 900.0U TR-001
SB21S0ij)3 ~6.99 70.30 .00 1.711 25.00 TO 9UO.00 TR-OOl
5B21TI03)3 70.ij8 i!0.U2 .00 10.ij9 25.00 TO 9U~.. OU TR~OO"
SB21V206)3 182.75 -1.~6 .00 56.86 25.00 TO 90lhOU TR~OOIl
S!32IWOII)3 85.98 22.87 .00 lij.39 25.00 TO 900.0U TR~OOij
SC 6.12 1.ij5 .00 .ij~ 25.00 TO 15UO.OU KR-001
SC203 23.16 5.6~ .00 .00 25.00 TO 17UO.OU LA-001
5C21C03)3 62.32 23.211 .00 17.31 25.00 TO 17UO.OU TR-U01
SC21S03)3 ij3.89 50.911 .00 .OU 25.00 TO 1700.00 Tt~~OOl
SC2(SO~)3 51.06 5~./J6 .UO 1.7.. 25.00 TO 17UO.OU TR-001
SI 5.80 .55 .00 1.09 25.00 TO 700.00 LA~001,PE-001
SJOIGAS) TO
SJ02 11.21 8.20 .00 2.70 25.00 TO 867.00 LA-001
111.ijO 1.9.. .00 .00 867.00 TO 1610.00
SJSIGAS) 7.25 2.ijl ~.78 .00 25.00 TO 17UO.OU JA-001
SIS2 22.80 -2.86 .UO 8.60 2~.00 TO 1610.00 TR~UO'3,JA-OOl
SJ(C03)2 ~5.18 11.12 .00 20.57 25.00 TO 1610.00 TR-001
511S0::l)2 25.03 3B.ijU .00 2.6'3 25.00 TO 867.00 TR-001
51(5011)2 29.81 113.68 ,00 3.85 25.00 TO 867.00 TR-001
5N ~.1I3 6.28 ,00 .00 25.00 TO 231.90 LA-001,PE-001
7.30 .00 .00 .Ou 231.90 TO 7UU.OU
5NC03 22.60 ':1..36 .00 5.77 25.UO TO 7UU.OU TR-001
SNO 9.55 3.50 .00 .00 25.00 TO 700.00 LA~001,NI:!-002
SN02 17.65 2...0 .00 5.16 25.00 TO 1200.00 LA~OOl,NB-001
SNS 8.ij8 7.ij3 . .00 -.95 25.00 TO 5811.00 LA~OOl,KU~OOl
9.78 3.7ij ,00 .00 584.00 TO 880.00
SNS03 16.116 18.6U .UO .uu 2~.00 TO 7UU.OU TR-001
-------
DATE 6 OCT. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.K) CONTINUED PAGE: 25
E!.IUA TI ON CP = A + OT + Ch*2 0/T**2
COMPOUN~ COEFFICIENTS TEMPERATURE RANGE ~EFE~ENCES
A BX10**3 CX10**6 DX10**-5 DEGREES CENTIGRADE
SNS04 18.85 21.24 .00 .58 25.00 TO 700.00 TR-OOI
SNS2 15.51 '+.20 .00 .ou 25.00 TO 700.0U LA-001,KU-00l
SNIAL.204)2 70.46 11.08 .00 21.00 25.00 TO 700.0U TR.004
SN(C03)2 43.76 14.13 .00 16.70 25.00 TO 1200.0U TR-OOl
SNICR04)2 60.22 13.20 .00 15.07 25.00 TO 700.00 TR-OO"
SNICR204)2 74.70 6.79 .00 12.63 25.00 TO 12UO.OU TR-OU4
SNIFE20,+)2 105.18 -10.13 .00 '+1.98 25.00 TO 1200.00 TR-OO'+
SNIMOO'+)2 57.77 14.19 .00 12.52 25.00 TO 7uO.OU TR-OO,+
SNIN02)2 3.59 53.8& .00 -4.94 59.00 TO 20.0.0U RA-005
SN(N02)4 5.75 lU5.10 .00 ..4.73 59.00 TO 200.00 RA-005
SN(N03)2 42.80 20.~3 .00 11.0& 25.00 TO &27.00 RA-005
S~J (N03) '+ 8'+.16 36.27 .00 27.28 25.00 TO 627.00 RA-005
SN(OH)2 TO
SN(OH),+ TO
SN(s03)2 31.'+8 32.60 .00 5.16 25.00 TO 1200.00 TR-OOl
SN(SO'+)2 56.26 37.88 .00 6.32 25.00 TO 12uO.OU TR-OOl
SNcTI03)2 51.91 '+.36 .00 12.15 25.00 TO 1200.00 TA-004
SN(V206)2 125.36 -8.52 .00 '+1.83 25.00 TO 1200.00 TR-OO'+
SN(WO'l)2 62.25 6.26 .00 1'+.1:':> 2:':>.00 TO 12UO.OU TR-OO'+
S02 7.02 9.75 -3.58 .OU 25.00 TO 12UO.OU LA-OOl
S03 6.90 20.37 -7.12 .OU 25.UO TO 12UO.00 LA-OOl
SR 5.61 1.35 .00 .01 25.00 TO 7UO.00 LA-OOl
SRIIL.204 ~8.1~ 5.'+" .00 ".73 25.00 TO 7UO.00 TH..OO'+
SRC03 21.41 8.56 .00 3.39 2~.00 TO 1UO.00 LA-OOl
SRCR04 33.62 6.52 .00 6.76 25.00 TO 1UO.OU TR-OO'+
SRCR204 4U.86 3.32 .UO 5.54 25.00 TO 1uU.ou TR-UO'+
SRFE204 38.79 15.87 .00 7.41 25.00 TO 700.0U TR-OO'+
SPM003 TO
SRM004 32.39 7.02 .00 5.4!! 25.UO TO 7uO.OU TR..OU4
SRO 12.33 1.12 .00 1.81 25.00 TO 7UO.OU LA-OOl
DIITE 6 OC T. 1971 HEAT CAPACITY ICAL/GMOLE/DEG.K) CONTI NUEO PAGE: 26
EQUA TION CP = A + 8T + CT**2 D/T**2
COMPOUND COEFFICIENTS TEMPERATURE RANGE REFEKENCES
A BX10**3 CXI0U& OX10u-~ DEG~E£S CE:NTIGRAOE
SRS 1'+.20 .00 .UO 1.59 25.00 TO 1UO.OU TR-009
SRS03 19.24 16.22 .00 1.81 25.GO TO 7UO.OU TR-001
SRSO'+ 21.19 13.30 .00 -.00 25.00 TO 12uO.Ou LA-OOI
SRTI03 28.23 2.0,+ .00 '+.56 25.00 TO 1500.00 LA-001.KU-001
SRV2D6 61.31 1.85 .00 16.71 25.00 TO 1UO.00 TR-004
SRWO'+ 3'+.62 3.05 .00 6.6U 25.00 TO 1UO.OU TA-U04
SR(H02)2 6.38 51.48 .UU -3.1" 5':1.00 TO 2uO.OU RA...005
SRCN03)2 28.10 39.42 .00 3.58 25.00 TO 621.00 TA-'313
Sf\(~103)2.'+H20 TO
SR(01!)2 1.64 ~~.'+O .00 .ou 25.00 TO 535.00 KE-909
36.50 .00 .00 .00 535.00 TO 921.00
SR(OH)2.H20 TO
SR(OH)2.8H20 TO
SR;>TI04 38.'+5 3.8'+ .UO 4.67 25.00 TO 15uO.OU KU-U01.LA-U01
SR3N2 TO
S(GAS) 5.97 -1.26 .'+1 .00 25.00 TO 1700.00 LA-OOI
T/I 6.2& .'12 .00 .30 25.00 TO 12UO.OU LA-OU1.PE-U01
TA~J 1.73 1.80 .00 .00 25.00 TO 527.00 KE-909.KU-903.
TO LA-908
TA2N TO
TA::>05 56.98 b.56 .00 5.95 2~.00 TO 1200.00 LA-OOl
H2S5 '+6.30 .95 .GO 4.88 25.00 TO 120C.OU TR-C09
TA2(C03)5 102.26 35.89 .00 34.8U 25.00 TO 12UO.OU TR-001
T1\2(503)5 71.53 82.06 .00 5.95 25.00 TO 12UO.ou TA-001
T/l2(S(";4)5 53.,+!! 95.26 .00 8.85 25.00 TO 1200.00 TR-OOl
TH 5.18 4.5'+ .00 .OU 25.00 TO 1200.00 L.A-001,PE-uOl
TH02 15.83 2.88 .00 1.60 25.00 TO 1200.00 L.A-001
THS TO
THS2 19.55 .6'+ .00 1.1& 25.00 TO 12UO.01J TA-009
TH(AL2Q4)2 68.64 11.56 .00 17.44 25.00 TO 7UO.OU TR-004
THI(03)2 ~1.9'+ 14.61 .00 13.14 25.00 TO 1200.0U TA-OOI
-------
DATE 6 OCT. 1971 HEAT CAPACITY CCAL/GMOLE/DEG.K) CONTI NUEO PAGE: 27
EC;UAT1JN CP = A + BT + CT....2 0/T**2
CO~1POUND COEFFICIENTS TEMPERATURE RANGE REFEKENCES
A BX10**:1 CX10U6 Dx10**-5 DEGREES CENTIGRADE
TIICCROII)2 58.110 13.613 .CO 11.51 2tJ,OO TO 7UO.OU TR~OUII
THCCK204)2 72.88 7.27 .00 9.08 25.00 TO 1200.00 TK..004
TH(FE204)2 10j.~6 -9.65 ,00 38.42 25.00 TO 1200.00 TR-004
TH(M004)2 55.95 14.68 .00 8.96 25.00 TO 7uO.OU TR-004
TH(S0.3)2 29.65 33.08 .00 1.60 25.00 TO 1200.00 TR-001
TH(S04)2 25.00 55.20 .00 .00 25.00 TO 6~7.00 CA-011
TH(TI0.3)2 50.09 4.84 .00 8.59 25,00 TO 12uO.00 TK-004
TH(V206)2 12~.54 -8.04 .00 ~8.27 25.00 TO 1200.00 TR-004
TH(W04)2 60.43 6.74 .00 11.19 25.00 TO 1200.00 TK-004
TH2So3 TO
TI 6.~8 1.13 .00 .6':/ 25.00 TO 1668.00 JA-OU1
TIc03 22.90 10.24 .00 7.02 25.00 TO 1200.00 TK-OOl
TIN 11.91 .94 .00 2.96 25.00 TO 1727.00 LA-908,t.00 TO 12UO.OU LA-OOI
U02S04 26.90 26.lIO .00 .00 2:').00 TO 500.0U OW-OOl
U03 22.08 2.54 .00 2.97 25,00 TO 6UO.00 LA-OOl
US TO
US2 15.20 8.70 .00 .00 25.00 TO 352.00 KU-OOI
UCAL204)2 72.00 10..10 .00 19.80 25.00 10 700.0U TR-004
UIC03)2 45.30 13, .35 .GO 15.50 25.00 TO 12uO.OU TR-001
UCCR04)2 61.76 12. '12 .00 13.87 25.00 TU 700.00 TR-004
l'(CR2:J4)2 76.24 6.02 .110 l1.'Ij 2:').00 TO 1200.00 TR-004
U(FE204)2 106.72 -10.Y1 .00 40.78 25.00 TO 12UO.OU TR-OO'l
UCM004)2 59.31 13.'12 .00 11.31 25.00 TU 700.00 TK-004
U(S03)2 33.01 31.82 .00 ~.96 25.00 TO 12UO.OU TR-001
U(S04)2 37.79 31.10 .00 5.12 2tJ.00 TO 12UO.OU TR-C01
U(TI0.3)2 53.4tJ 3.58 .00 10.95 25.00 TO 1200.0U TR-004
UIV2(6)2 126.'30 -9.30 .ce 40.63 2tJ.OO TO 12UO.00 TH-004
UIWQ'I)2 63.18 5.48 .00 13.55 25.00 TO 12UO.00 TK-004
U?S.3 TO
u308 67.50 8.83 .00 11.94 25.00 TO 6UO.00 KU-001
V 4.36 2.42 .00 ...28 2tJ.GO TO 1200.00 LA-001.PE-001
VC03 24..17 9.fJ6 .00 7.03 25.00 TO 12UO.OU TR-U01
VN 10.94 2.1U .00 2.21 25.00 10 1527.00 LA-908,K£-,:/09
va 11.31 3.22 .00 1.26 25.00 TO 1200.0U LA-OOl
-------
'-----
I
DATE 6 OC T. 1971 HEAT CAPACITY (CAL/GMOLE/DEG.K) CONTINUED PAGE: 29
EQUATION CP = A + AT + CT.*2 D/T**2
COMPOUr,jQ COEFFI C I E"NTS TEMPERATURE KANGE KEFEKENCES
A B)(10**3 CXlO**6 UX10u~5 UEGREES CENTIGRADE
VOS04 21.15 19.46 .00 4.52 12.00 TO 120.00 TK-OOl
VS 13.18 2.10 .00 1.04 25.00 TO 1200.00 TR-009
VS03 18.22 18.32 .00 1.26 25.00 TO 11UO.OU TR-001
VS04 20.61 20.96 .00 1.84 25.00 TO 12UO.OU TK-001
V:>03 29.34 4.76 .00 5.42 25.00 TO 1200.0U LA-OOl
V2'J4 29.89 .00 .00 .00 25.00 TO 12.00 LA-OOl
35.69 3.45 .00 7.89 12.00 TO 12UO.00
V:>05 46.51 3.90 .00 13.21 25.00 TO 610.00 LA-001,NB-003
45.58 .00 .00 .00 670.00 TO 12UO.OU
V2~3 34.93 1.40 .00 4.7!! 25.00 TO 12UO.OU TK-009
V;>S4 42.61 -.69 .00 6.15 25.00 TO 1200.0U TK-009
V'S5 63.11 -11.06 .00 17.26 25.00 TO 12UO.00 TR~009
V2(C03)3 68.50 22.36 .00 22.13 25.00 TO 12UO.00 TK-001
V2(S03)3 50.01 50.06 .00 5.4~ 25.00 TO 11UO.OU TK-OOl
V2(s04)3 57.24 5(.98 .00 7.16 25.00 TO 12UU.OU TR-U01
~J 5.85 .12 .00 .24 2~.00 TO 3311.00 JA-001
wo:> 15.49 3.58 ,00 2.80 25.00 TO 2121.00 JA-001
~J(13 20.81 3.81 .00 3.85 25.00 TG 771.00 JII-OOl
20.I$U 2.76 .UO -.lu 771.UO TO 1472.00
31.50 .00 .00 .00 1472.00 TO 1667.00
WS;:> 21.55 -.36 .00 2.91 2~.00 TO 12UO.OU TR-009
I.(C03):> 41.60 15.,H .00 14.34 25.00 TO ;;>721.()[) TR-001
.W(C03)3 57.4~ 23.13 .00 18.20 25.00 TO 1661.00 TR-001
W(S03)2 31.65 32.09 .00 3.34 25.00 TO 1uo.00 TR-001
~,( 503) 3 43.03 47.23 .00 4.80 2~.O[) TO 12UO.OU TR-UU1
~;(S04)2 36.43 31.37 .00 4.50 25.00 TO 12UO.00 TR-001
WIS04)3 50.20 55.15 .00 6.54 25.00 TO 1200.00 TR-001
Y 5.59 1.90 .00 -.29 25.00 10 15UO.00 KU-001
Y203 29.00 1.20 .00 4,78 25.00 TO 10 U 0 .011 KU-C01
Y2(C03)3 &8.71 18.80 ,00 22.09 25.00 TO 1000.00 TK-OO:"
OIlTE 6 oC T. 1911 HEAT CArllC ITY (CIIL/GMOLE/OEG.K) CONTINUED PAGE: 30
Ef,;UATION CP = II + 8T + CT**2 D/T**2
cor,'POUNO COEFFICIENTS TEMPERATURE RANGE KEFERENCES
A BXIO**3 CX10**6 UX10u-5 DEGREES CENTIGRADE
Y2(S03)3 50.,s3 46.50 .00 4.7!! 25.00 TO 10UO.00 TH-001
Y;;>(S0413 ~7.50 54.42 .00 6.51:! 25.00 TO lUUO.UU TR-001
7.N ~.33 2.42 .00 -.01 2~.00 TO 419.50 LA-001,PE-001
1.48 .00 .00 .00 419.50 TO 7UO.OU
7.NIIL204 36.11 5.56 .00 10.10 25.00 TC 700.00 TR-004
ZNC03 24.76 1.08 .00 7.95 25.00 TO 1.2uO.OU TR-001
ZNCRC4 32.99 6.62 ,00 7.14 25.00 TO 100.0U TR-004
ZlICR204 25.49 21.69 .00 .00 2~.On TO 7UO.OU LA-001
zr.IFE204 30.79 13.89 .00 ,00 25.00 TO 700.00 LA-001
ZNM004 31.76 7.12 .00 5,86 25.00 TO 7UO.00 TR-004
ZNO H."(O 1.;>2 ,00 2.16 ;>S.uO 10 12UO.OU LA-DU1
UJO*2ZNS04 45.82 42.79 .00 2.18 25.00 TU 100.00 TR-004
2rJS 12.1(, 1.24 .00 1.3b 25.00 TO 921.00 LII-001,KU-OO]
Z~ISO,s 1t!.bl 1:!7.?6 .00 1:!.1t! 25.00 TO 12UO.OU TR-U01
Z~:"04 11.0& 20.79 .00 .00 25.00 TO 727.00 LA-001,NI:!-003
l~!TI03 2t!.83 2.19 .00 5.66 25.00 TO 1200.0U TR-004
Z~'V206 65.56 -4.24 .00 20.51 25.00 TO 1200.00 TK-004
n;I'j04 33.99 3.15 .00 6.97 25.0(1 TO 1200.0U TR-iJ04
7.r! (NO?)2 5.75 ~1.58 .00 -2.76 5':1.00 TO 200.00 RA-005
n (1,03)2 44.96 HI.15 .CO 13.24 25.00 TO 621.00 P.A-005
zrl(fl.03)2.H2(1 TO
zr.; (r,03) 2. ::>d20 TO
7r: I I\0312.4H20 TO
ZtJ(r)03)2.f;rlI:!O TO
IN(OIl):> TO
7N?T r ell 3':1.!J0 5.54 .00 7.69 25.00 TO 1500.00 LA-001,Ku-U01
Zr-i3r12 19. ':13 20.1'.0 .00 .00 2~.00 TO 427.00 KE-90':1
ZP 6.83 1.12 .00 .91 <'5.00 TO 862.00 KU-001
1.'d1 .no ,00 .00 86~.OO TO 11UO.00
-------
DATE 6 OC T. 1971 HEAT CAPACITY (CAL/GMOL~/DEG.K) CONTINUED PAGE: 31
EQlJ.ATION CP = A .. RT + CT**2 0/T**2
COv'POUr~D CUEFFICI[NTS TEMPERATURE RANGE REFERENCE.S
A f3X10**3 CX10**6 DX10**-5 DEGHEES CENTIGRADE
ZR~: 11.10 1.68 .00 1.72 25.00 TO 1427.00 KE-909,KU-903,
TO L.A-908
ZR02 H..63 1.80 .00 .3..36 25.00 TO 700.0U LA-OOl
ZP~2 20..35 -.44 .00 2.92 25.00 TO 7UO.OU TR-OO'J
ZR(AL204)2 69.44 10.'H! .00 19.20 25.00 TO 700.00 TR-OOII
ZR(C03)2 42.74 13.53 .UO 14.90 25.00 TO 700.00 TR-001
7R(CR04)2 59.20 12.60 .00 13.27 25.00 TO 7UO.OU TR-004
ZR(CR204)2 73.68 6,19 .00 10.84 25.UO TO 7uO.OU TR-OOII
7R (FEU'4) 2 69.55 31..~1 .00 1'+.5i 25.00 10 1UO.OU 1R-001I
ZR(M'.J04)2 56.75 13.(,0 .00 1U.72 25.00 Te IU 0.0 U TR-OOII
ZR(N02)2 TO
. 7.R(N02)4 4.75 1U2.50 .00 -6.53 59.00 TO 2UO.OU RA-005
ZP(h03)2 TO
ZR(N03)2.61120 TO
ZR(~~C3)'1 8.3.14 .35.67 .00 25.48 25.00 TO 627.00 RA-005
ZR(OH)4 TO
ZR(OH)I.i.H20 TO
ZR(OH)4.2H20 TO
ZR(S03)2 30.115 32.00 .00 3.36 25.00 TO 7UO.OU TR-UU1
ZR(S04)2 35.23 37.28 .00 4.52 25.00 10 700.0U TR-001
ZP(TI0312 50.89 3.76 .00 10.35 25.00 TO 700.0U TR-OOII
ZP.(V20612 114.58 3.25 .00 33.17 25.00 10 7UO.OU TR-OOII
7.R(W04)2 61.23 5.66 .00 12.95 25.00 10 7UO.OU TR-004
ZR3r.:2 21.64 26.0i) .00 .00 25.00 10 527.00 LA-908,KE-909
-------
Radian Corporation
8500 SHOALCREEK BLVD. . AUSTIN, TEXAS 78758 . TELEPHONE 512 -454.9535
TECHNICAL NOTE 200-007-06
HIGH TEMPERATURE BEHAVIOR OF ANHYDROUS
AND HYDRATED NITRITE AND NITRATES
13 August 1971
Prepared by:
Terry B. Parsons
Nancy P. Phillips
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
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8500 SHOALCREEI( BLVD. . P. O. BOX 99iS . AUSTIN, TEXAS 79758 . TelEPHONE 512. 4S04.9535
Radian Corporation
8500 SHOALCREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 7B7S8 . TELEPHONE 512. -4S<4-~35
1.0
INTRODUCTION
1.2
Significance of the Nitrate-Nitrite Thermal
Decomposition Process
This technical note presents the results of a liter-
ature review on the high temperature behavior of metal nitrates
and nitrites. The findings of the review are discussed in
terms of their implications for the use of thermal decomposition
as a regeneration method in a nitrogen oxides removal process.
1.1
Literature Survey
Thermal decomposition is being considered as a possible
method of regeneration for the products of a nitrogen oxides
removal process. One way of evaluating nitrate decomposition as
a regeneration process is to examine the energy requirements,
i.e., to compare the relative magnitudes of the free energy
changes involved when different metal nitrates undergo decompo-
sition in a specified temperature range. This evaluation method
was applied in the thermodynamic screening of sulfate decompo-
sition processes for regeneration of metal oxide SO; sorbents
(LO-Ol7) .
Examination of the literature on nitrate-nitrite
decomposition was facilitated by the existence of several
reviews (ST-026, LE-005, SC-029, GA-038). K. H. Stern was
kind enough to provide a copy of the unedited manuscript
(ST-026) of his forthcoming NBS publication, "High Temperature
Properties and Decomposition of Inorganic Salts. Part 3.
Nitrites and Nitrates." This review covered the literature on
anhydrous salts published up to 1964 and some later publica-
tions. Chemical Abstracts was used to search the literature
In the case of nitrate decomposition, thermodynamic
screening based on simple well-defined decomposition reactions
is difficult to apply. A series of complex, interdependent
reactions take place during decomposition. Gaseous decomposition
products react with each other in a manner that can be repre-
sented by the series of reactions given in (1-1) through (1-5)
for pertinent information published after 1964. The review
by Gastwirt and Johnson (GA-038) was not obtained in time to
be evaluated. The dissertations of Lee (LE-005) and Schneller
(SC-029) contained detailed reviews for a limited number of
compounds.
NO + NOa ~ Na03
2NOa ~ Na04
Na03 + HaO ~ 2HNOa
Na04 + HaO ~ HNOa + HN03
NO + ~Oa ~ NOs
(1-1)
(1-2)
(1-3)
(1-4)
(1-5)
Some of the references treated in the reviews were
further consulted for more details. Many references not dis-
cussed by the reviewers were also consulted. In some cases,
only the abstract of a reference was consulted. In those
cases, the volume and number from Chemical Abstracts is given
in the bibliography. Details were gathered concerning experi-
mental methods, phase transitions, decomposition behavior and
products, and proposed reactions. These details were tabulated
in a consistent form for each metal nitrate and nitrite. The
tabulated data are presented and discussed in Section 2.0.
Lee reported (LE-005) that Cho and Johnson (CH-035) also
found nitrous oxide, NaO, among the reaction products of lithium
nitrate decomposition. The product, found using mass spectroscopy,
was not reported by many other authors as a decomposition product.
As pointed out by Lee (LE-005), (1) it probably wasn't noticed
since it is only produced in small amounts, and (2) if alkaline
absorption were used as the method of analysis, NaO would show
up as NO.
-2-
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asoo SHOAlCREEK BLVD. . P. O. BOX 99<48 . AUSTIN, TEXAS 78758 . TELEPHONE 512. -4S4.9S)~
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A computer program has been written (see Technical
Note 200-007-03) to calculate the existing number of moles of
each of the species appearing in the above equations under
given conditions of temperature, pressure and total chemical
NO and NOa. This program does not consider the effects of
reaction (1-5). The program was written to describe gas phase
conditions in aqueous scrubbers where the residence time and
temperature limits are such that the reaction in (1-5) is
kinetically limited. This may not be the case at the higher
temperatures encountered in thermal decomposition.
data base and the missing properties including high temperature
heat capacities have been estimated for the anhydrous salts
(see Technical Note 200-007-04). Therefore, the possibility now
exists of calculating equilibrium constants (free energies) for
any reaction involving oxides, nitrates, nitrites and the
gaseous species of interest. The problem of formulating a
representative reactfon still remains.
2.0
TABULATED DATA
Gaseous decomposition products also react with the
product oxides and nitrites in secondary reactions that may be
partially inhibited by removing gaseous products in a flowing
gas stream. However, the secondary reactions may also occur
in the melt where the gaseous products exist as bubbles before
they are evolved. Therefore removal of the product gases after
they have already left the melt would not entirely inhibit side
reactions.
The details collected from the literature concerning
nitrate-nitrite behavior are summarized in Table I. Temperatures
and enthalpies of crystalline phase transitions and melting
points are listed under the column heading "Transitions." Experi-
mental details of decomposition experiments, temperatures of
significance in the decomposition process, products identified
and reactions proposed are listed under the column heading
"Decomposition." References are given in the Bibliography in
Section 4.0. Table I is included at the end of Section 3.
The complications discussed above prohibit the formu-
lation of a simple, realistic, generalized decomposition reaction
for which a free energy change may be calculated that gives a
meaningful description of the decomposition process. With
careful evaluation of assumptions, valuable calculations may be
made. Stern (ST-026) and Kelley (KE-02l) have made equilibrium
calculations based on simplified reactions and involving some
assumptions about activities in the melt. The only gas phase
reaction considered was (1-5). Their calculations were limited,
however, by the lack of both high temperature heat capacity data
and standard state thermodynamic properties for some of the
nitrates and most of the nitrites. The reported thermodynamic
properties of the anhydrous and hydrated nitrates and nitrites
and the gaseous species have been collected and tabulated in a
The temperatures of significance listed in the
Decomposition Section should be considered carefully. "Decompo-
sition temperature" is not a meaningful description unless the
author has specified what he has observed as evidence of decompo-
sition. One accepted definition is "that temperature at which
the partial pressure of the gaseous decomposition products
reached 1 atmosphere." It is doubtful that any of the tempera-
tures listed in Table I refer to the decomposition temperature
so defined. Many are given as results of TGA studies and refer
to the temperature at which weight loss corresponding to nitrogen
oxides evolution began. Others simply refer to the temperature
at which some visible evidence of decomposition such as bubbling
or evolution of either Oa or brown NOa fumes was apparent.
-3-
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-------
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esoo SHOALCREEK BLVD. . P. Q. BOX 99.8 . AUSTIN, TEXAS 7ern . TELEPHONE 512 - 4S4.9S3S
Radian Corporation
esoo SHOALCREEK BLVD. . P. O. BOX ".0 . AUSTIN, TEXAS 7B7S8 . TELEPHONE 512. 4S4-953S
Others refer to the temperature at which the decomposition rate
was the greatest. Another accepted definition (KU-005) is the
temperature at which there is a sharp break in conductance
through a capillary tube containing the salt. Since molten
nitrates or nitrate-nitrite mixtures find some practical applica-
tions, many studies have been conducted to determine (1) the
lowest temperature at which nitrate ion begins to break down in
the melt and (2) the range of temperatures over which decompo-
sition occurs but is still slow enough that the melt can be
used in the process of interest. Kust and Burke (KU-005, KU-012)
have observed nitrite ion in pure NaN03 - KN03 eutectic melts as
low as 295°C, indicating that some decomposition has already
taken place. This type of information is valuable for determining
the onset of decomposition but not the temperature required for
rapid reaction rates.
or the ability to distort the anion which is determined by the
electronic configuration of the cation. Several authors (SH-017,
LA-OIl, TK-OOl, AL-006, BO-008) have noticed that thermal
stability increases with the decrease in polarizing power or
electronegativity from lithium to cesium or beryllium to barium.
The polarizing power is described quantitatively by the term
e/rB where e is the electron charge and r the ionic radius.
Obviously, as the ionic radius increases from lithium to cesium
and beryllium to barium the polarizing power decreases and the
ionic character increases.
3.0
DISCUSSION
Other indications of thermal stability have been
discussed. Tkach (TK-OOl) pointed out that melting points and
decomposition temperatures usually increase with heat of forma-
tion. Stern (ST-025) discussed the usefulness of free energy
functions for describing thermal stability. He developed a
correlation for the heat of the decomposition reaction forming
Na06 and metal oxide as a function of r},z/Z*. Z* is the effective
nuclear charge felt by the electron in a bond and r is the covalent
metallic radius. Stern (ST-026) and Bordyushkova, et al. (BO-OOB)
pointed out the difference in stability and behavior of ionic and
covalent nitrates. Stern's generalizations were as follows:
This section contains some generalizations that can
be made after examining the data summarized in Table I. It
also gives some explanations proposed by various authors for the
variations in thermal stabilities of nitrates and nitrites.
Some proposed mechanisms and the possible paths for nitrite-
nitrate decomposition are also presented.
Ionic nitrates, in which the nitrate ion
is a distinct entity (not distorted or
deformed) such as it exists in aqueous
solutions, melc to form stable liquids.
The decomposition of metallic salts of oxyanions has
been described by Stern (ST-025) as decomposition of the oxyanion
accompanied by change of the metal from occupying a nitrate to
occupying an oxide lattice. Such reasoning would lead to the
prediction that all nitrates (sulfates, carbonates, etc.) decompose
around the temperature at which the nitrate (sulfate, carbonate,
etc.) ion became unstable. Variations in thermal stability of
metal nitrates must therefore be explained by some property of
the metal ion. One such property is the cation polarizing power,
Some decomposition of the melt from
nitrate to nitrite occurs, and the
nitrites and nitrates are stable with-
in overlapping temperature ranges.
Therefore the decomposition path is
complicated.
-5-
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-------
Radian Corporation
B500 SHOALCREEK BlVD. . P. O. BOX 99-iB . AUSTIN, TEXAS 78758 . TElEPHONE 512. 045
-------
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-------
TABLE I - DECONPOSITION BEHAVIOR OF ANHYDROUS AND HYDRATED NITRITES AND NITRATES
TRANSITIONS DECO~IPOSITION
COMPOUND ~ ~ ~H(Kcal/mole) ~ ...li:.£L. Method/Cor.:mencs Pro due ts Reactions ~ DISCUSSION
1. LiNO, 220 SoL SI-026 300 Stable NO, NO. 2LiNO, ;t Li:aO + NO SI-026 Stern (SI-026) reports
350 Slow dccomposi- + NO, (1) the gaseous products
tiOD. oxidize the ni::rite to
>350 Norc rapid de- nitrate if they are not
composition. removed.
96 S-S PR-003 A thin 2.0 ern At 250 2LiNO, ~ Li,O + N'~h LE-005 The reactions were
226 SoL layer of mol ten co 350: found to be mainly homo-
nitrite was 0" N~, N.O" t! :\0 + :\02 (3) geneous (in the melt)
contained in a N,O, 0, rather than to involve
platinum dish L1N03, Reactions involving gaseous nitrogen oxides.
under a flow- LI,O. products: N:I 03 and N0:;t concen-
Lng argon at.. NO, g1 v- LiNO;j+ NOlO" ;! LiNO" crations in the mol ten
r.:osphcrc in cn off oj. 2NO (4) phase are very small;
a muffle fur- above both are consUII:cd in
nace. Tempera- 450. 2LiNO;l + ~;I g: O;! 2Li(~~ other reactions in the
ture was con- melt as soon as they
stant: 1°C. Li; 0 + 2NO; ;! LiNO~ were formed (reactions
Experiments 4, 5, and 6). Reae-
were done at + LiNO, (6) tion (7) was found to
250, 300, 350, 2LiNO, + 2NO ~ 2LiNO~ be strongly tempera cure
.:md 4500. + N, ( ) de;:»endent. The ",ice
Compositions of 2LiNO, ~ 2LiNO, + ~~) rn.nge of proportions of
the melt and gas Ni and i\O found at
phase were de- dlfferent temperatures
termined after is attributed to the
0, 1, 2, 3, 4, temperature dependence
5 and 6 hours. of this essentially
160 NO was first irreversiblt! reac::ion.
detected ilt 1600. The sequence or rcac-
Kinetic runs tions is 1n the order
o were not possi- 4, 5, 7 J arid 8. After
I ble:! at 4500 sinC2 II certain period, (7)
the reac tion becomes rate control-
vessel overflo"-Cd. ling. The rate 3t which
a steady dccoxr.posltion
,,'as obtained \\'as found
to depend on the solu-
bility of gases in the
melt. The mechani sm
for this decor.:position
appears to depend on
temperature and melt
composition. The stoi-
chiometries are differ-
~~5. at T~~O ~e~g~!o~n~t
450 is the only one for
which NO" could be de-
tected in the gaseous
products. This agreed
with the reports by
Pcncloux (PE.01S) that
a rapid, high te:n?era-
ture decomposition pro-
duced KO; while a slow,
low tc:aperature decom-
position produced ~O.
n".e solubilities of ~O
and N0;l in the u:elt can
(cont.)
TRANSITIONS DECO~IPOSITION
CO,IPOtJ:ID ~ !:!J!.£ I\!;(Kcal/mole) ~ ...li:.£L. Method/Comments ~ Reactions ~ DISCUSSION
,I.. LiNOa (cont.) probably account for
part of these results.
The deco;r.posi tion rato
WLlS considerably fnster
at 450, . and t\O;l was
detected in the gas.
The decomposition is
st111 slow at 350.
2. LiNO, 120 S-S SC-Ol2 293 Decomposi tion 0, LiNO" ~ LiNO, + %O~ SI-026 Stern reports oxides
170 s-s PR-003 begins slowly at ( a) of nitrogcrI can also be
230 S-S about 400 above fanned if container
253 SoL 6.04 SI-026 the mel ting material is not inert.
SC-012 point. Nitrite product dissolves
80-008 383-420 I>1easurable 0; in melted nitrate.
pressures achiev-
ed in this range.
>457 Rate is appre-
ciable only in
this range.
450,500 Nitrate still O~. N~O UN03 ~ LiNO, + %O~ CH-035 Tho rate constants for
stable. ( a) (90) were rr.easured at
LiNO, + LiNOb ~ LiS 0 450 and 500'C. Nitrous
+ 2N, (9) oxide (N20) was detected
in the gaseous products
using mass spectrcmetry.
I
I-' 3. LiNO,' 3H,,0 29.9 SoL 8.33 NE-004
I-'
I
4. NaNO, 162 S-S .299 AD-002 >330 Nitrite unstable N;03. 2NaNO, ;! Na:aO + NO SI-026 If the gas phase 1s
281 SoL 2.48 SI-026 above 330. NO. NOa J + NO, (10) continually removed. this
166 S-S PR-003 NaaO 15 the only reaction ttm:
283 SoL PR-003 occurs.
161 S-S .285 NO-005
330-380 Ni trate is Na, NO. 2NaNO; + 2NO ~ 2NaNO~ ~-026 These are the reac tions
formed. NaN03 + N, (11 involving the products
Na,O + ~N~~g,Nan~) NO and NO, and the re-
maining nitrite. The
nitrate is stable in
NaND; + NO:a t! NaN03 this temperature rango
+ NO (13) (~-~~6)~ unreactive
600-750 Nitrate begins 0, NaN03 ~ NaNO, + %Ot SI-026 The activation energy
to decompose ( 4) for this reaC cion has
to nitrite. been reported as 44.7
and 40.3 kcal.
600-750 Nitrite decorn- N;. 0:1 2NaNO~ ~ Na,O + Nt SI-026 The activation energy
poses to the + /2 0, ( 5) for this reaction has
oxide. been reported as 42.8
kcal. Decot:1position of
NO and KO~ to the ele-
ments has been consider-
ed kinetically limited.
(cont.)
-------
TRANSITIONS DECOMPOSITION
CO~:pOUND ~ !m! .H(kca1fr.:o1e) ~ ...l!:.fL Method!Cor::T1cnts ~ Reactions ~ DISCUSSION
4. NaNO, (cant.) A rnechanism of N; pro-
duction has therE:fore
been suggested which
involves the fonnatlon
of a super oxide which
decomposes to Ns; 0 and
0,
Study of the N;. NaO, Na,O + 3NO ~ 2NaNOt CH-036 In order to account for
action of NO NaNO, + iN, ( 6) the fortI1stion of nitrous
00 Ns;O. Na,O + 4NO ~ 2NaN0t oxide and N , reactions
(16) and (d~were pro-
+ N,O ( 7) posed.
The NaND; -NO" NO, NaNO. NaNO, + ~O~O ~ NaN0h8) 02-006 At temperatures above
sys t..::m ''''0'15 250, the rate of the
studied. reaction NO" - NO + l:iO;
150 No reaction. bGcomes appreciable.
NO production and :\0;
200 10% conversion consumption affect 01-
of NaND; to trite oxidation. The
NaN03. reaction proceeds to the
250 H.J..:dmum extent left rather than the
of rcaction. right.
> 250 Reaction (as
written) di-
minishes.
I
t-' 160 S-S SC-012 500 Liquid NaN03 NaNO, NaNO. it) ~ NaNO, (t) ST-026 The liquid nitrates and
N 5. NaNO,)
I 275 S-S 1.12 FE-003 still stab1a. + \0, (19) nitrites are reported to
be completely miscible
306 Sol 3.70 ST-026 600 Slow d\1composi- and arc: reported to for:n
tion of melt.
308 Sol BO-008 a "virtually ideal" soh..
600-750 Pseudo equili- tion (ST-026). The .qui-
brium between librium const<,!nts for
air and mel t 2NaNO. (s)- Na,0(s)+2NO,iY
containing + iO,(g) to 7000 K and
NaN03 CL"1d NaNDa. NaNO, (L)- NaNO, (t)+iO,
from 800 to 1000'K have
been calculated (ST-026).
510 Decomposition Same BO-008
begins .35 evi-
denced by
.:tppcarance of
.057. nitrite
in the melt.
6. Kl\O, 47 S-S 0.199 PR-003 410-460 Noticeable de- ~b' NO, 2KNO, ~ ~~O + NO, (20) ST-026 Caseous products react
AD-002 composition. wi th KNO, and K" 0 if
437 Sol PR-003 Inert atmos- they are not rE:moved.
phere with gas-
440 Sol ST-026 eous products
re1toved.
(cant.) (cant.) (cant.) (cant.) (cant.) (cant.)
TRANSITIONS DECOMPOSITION
CONPOUND T(OC) !m! AH(kca1/mo1e) ~ !i:.2L Method/Comments ~ Reactions
6. KNO, (cant.) 410-460 In air, without Na, NO, 2KNO,+ 2NO ~ 2KNO.
gaseous product KNO, + N, (21)
removal, nitrate Ka ° + 2NO; ;! KNO;
is still stable. + KNO. (22)
KNO,+ NO, ~ KNO,+(~~)
550-750 In oxygen atInos- KNO, + \0, iI KNO. (24)
b~:r~s n~~r~~~OID-
pose.
>800 Nitrite decom.. K"O KNO, - K"O + \N,+ \OJ
poses to oxide. (25
KNO:. in NO:. at- NO, KNO. KNo.+ NO, iI KNO,+(~~)
mosphere.
130 No reac tion as
wrl tten.
140 Considerable
reaction rate.
200 Reaction rate
is at a maximum.
I
t-' 7. KNO. 127.9 S-S 1.22 YA-004 530 Ne1t is stable KNO, KNO, (t) ~ KNO, (t)
w 334.3 Sol 2.30 in air to this + \0, (26)
I 113 S-S .56 ST-026 temperature.
123 5-S .72 650 Decomposition
128 S-S 1.3 begins in air.
334 Sol 2.3
~
ST-026
DISCUSSION
KND,) i5 stable in this
temperature range.
ST-026
Up to 600 the KNO, re-
mains s tab Ie. Between
600 and 750 the reae tion
is in equilibrium since
the KNO,) is unstable.
ST-026
02-006
The reaction is reversi-
ble with the maximum KNO"
formation at 200. Appa-
rently it is difficult
to establish equilibrium
since the rate of the
reaction NO:. t! NO + \011
becomes appreciable.
Above 200, then, the
amount of !
-------
TRANSITIONS DECOHPOSITION
COMPOUND ~ Im. ~H(l;0, (30) (No.9).
ta.ken as that
405.5 SoL 3.37 HU-012 at which .057.
nitrite could
be detected in
the melte
12. CsNO, '411,0 42.7 SoL RO-007
13. Bo(NO,), No evidence was found
in the literature for
the existence of this
compound.
14. Ba(NO.), 125 Decomposi tion Ba.O(NO'>.. SI-026 The nitrate is 0 hygro-
is rapid above NOa scopic solid.
this tempera-
ture.
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
COMPOUND
TRANSITIONS
~ Im. lIH(kca1/mo1e)
DECOMPOSITION
~
!J:.fL Method/Comments
175-200 This temperature
range was estab-
lished for de-
composition
from the thermo-
gram recorded
~;t: ~~a~~~g /min.
produc t8
Reactions
~
SH-Ol7
DISCUSSION
14.
Ba(NO.),
(cont. }
It was difficult to pre...
pare a crystalline
nitrate. Usually a
viscous mass was obtainEd
Th1s is the least stable
of the alkaline earth
nitrates.
15.
Ba(NO.),
.411,0
55-205
The TGA experi-
ments were car-
ried out 1n a
stream of air.
Gaseous products
were not anal~d
Salt began to
loose water of
hydration.
Maximum ra to of
weight Ipsa.
No further weight BeO
loss. Oxide
formed at this
temperature.
Decomposition
of the nitrat~
in NO was stud-
iad. Tho ni-
trite was pro-
duced as a
product.
Nitrite prod-
uct decomposese
WE-021
There was no evidence
(no breaks in tho therm-
ogram) for formation of
the "nhydrous ni trate.
55
460
I
I-'
VI
I
16.
118 (NO, ),
Not des-
cribed.
118 (NO~), + 2NO SI-026
" Mg\NO, ).+ 2NO, (31)
The existence of the
anhydrous nitrite is
uncertain. It appeared
as an intennediate in
the decomposition of the
nitrate in NO.
107
17 . Mg (NO,),
'211,0
Method not
described.
NO I N0at
N,
Mg(NO,), ;I 1180 + ~~~~)
N,O. " NO + NO, (33))
Mg(NO ) + 2NO
;I MgtN~, ),+ ~NO (31)
2M!;CH4NO, "Mg(NO.).
+Mg(NOa a \3,,)
Mg(NO~).+ 2NO
;I Mg\NU,),+ N, (34)
LE-005
Lao (LE-005) stated that
tho 1905 Investigations
of Ray and Gangul1 (com-
plete reference not giv-
an in LE-005) indica tad
the nitrite decomposes
at a low temperature.
Lee olso discusscd the
work of Oza and Dipali
(OZ-009) carried out at
llOoC. The overall
stoichiometry was found
~y 2~gh + t~~~o~~n~~~
Apparently temperatures
reached were never high
enough so that decompo-
sition of the nitrate
could occur. It was can-
c1udad that tho extent
of reaction (34) was val)'
~~~~; ~1~: ::~il ~~d
-------
COMPOUND
TRANSITIONS
~ !XES. 6H(kcal/mole) .l\2h-
DECOMPOSITION
~ Method/C01TI1Ients ~
327 The solid is
reported to bo
stable up to
this temperature.
The melt 18 re-
poreed to be un-
stable, but 00
mel ting point
was given.
Decomposi cion
occurs at this
temperature
if nitric ox"
ide is present.
Reactions
~
sr-026
DISCUSSION
18. Mg(NO,),
Not given.
Stern reports that the
stability depends 00 the
gas phase. Decompositio n
may occur at temperatures
lower than 327, Stern
calculated equilibrium
pressures for:
118 (NO,), ~ Mg0+2NO, +\0,
(3)
The calculations indica-
ted decomposition would
be complete between 500
and 600'K (327'C\
127
I
t-'
a>
I
19. ~(NO,), 130 SoL RD.007
. 1100
20. ~(NO,). 90 SoL 9.8 LA-008 60 Begins losing Final
. 1100 water of hy- Produce:
dracion. 1180
80-90 Endothermal
effect (SH-018).
85-90 Endothermal
effect (BE-036).
125-180 Unidentified
thcmal effect
(SH-018).
145-150 Endothermal
effect (BE-036).
230 Formation
NS(N03)j .2H,O
(BE-O 6 .
240 Formation
I1g(NO ) '1100
(WE-ohj.
310 Formation
~~i~~')' (WE-
370 Formation
~fg (NO.). (BE-
036).
430 Formation
1180 (BE-036).
455 Formation
1180 (WE-021).
WE-02l
BE-036
Three thermogravimecric
studies have been re-
ported for the hexahy-
drate (BE-036. SH-018.
WE-On). The te"'pera-
tures reported for heat
effects are in fair
agreement. N'o reactions
were proposed however
and nei ther the gaseous
products nor the inter-
mediates were analyzed.
The results agree fairly
well with Stern's esti-
mate of the range of
stability for the nitrate
I1g(NO,), ~ MgO + 2NO.
+ %0. (35)
KE-02l
Kelley (KE-021) stated
the hexahydrate is tho
fOml that crystallizes
from water at ordinary
temperatures. He cal...
culated the free energy
(cont.)
TRANSITIONS DECOMPOSITION
Cm:J>OUND T('C) ~ 6H(kcal/mole) ~ ~ Methbd/C01TI1Ients ~ Reactions ~ DISCUSSION
20. ,(NO.), of the dehydration reac-
. 1100 ~~on a~~ ~ggIK~50fh~0~~ta
(cont.)
indicated that dehydra-
tion would be com~lete
near 450'K (l72'C .
Free energy calculations
for (35) indicated a
decon:position p,ressure
of 1 atrn would be reach-
ed at 288'C.
21. Ca(NO.). 266 S-S sr-026 267-315 Decomposl tlon Mainly Ca(NO.), ~ CaO + NO sr-026 Stern reports (36) and
360 S-S sr-026 pressures were NO + NO. (36) ~37) were the reactions
measureable ln Ca(NO ) + 2NO or which decomposition
392 Sol ST-026 this tempera'" ~ Ca~N~.).+ ~NO (37) pressures were measured.
ture range. Reaction (36) should
probably be written
Ca(NOa)a ;! CaO + NaO~
(36)
Na03 ;! NO + NOa (32b)
However t the temperatures
at which the decomposi-
tion was studied were
~~~O;o~~~. ret~~~e~a~~lf;
inconsistent with the
I accepted idea that n1...
t-' trate-nitrite melts are
" ~gl~~irg66 :~:~~e t~~~~
I
melting point. The re-
ported transition points
were taken from heating
curves and the nature
of the phases was not
described (sr-026).
370-480 Reaction (3B) NO, N, Same as (36) and (37). sr-021> Stern and l.ee both dis..
becomes 1m- as well as LE-005 cussed the 1953 work of
portant. Ca(NO ),+ 2NO Oza and Oza. Only small
t! Ca~N03)a+ N, (38) amounts of Ng were de-
tected in agreement with
the reports of early
workers. This was ac-
counted for by the ex-
hf:h:;i~~;~~~t~~es the
reverse of (37) becomes
more important and there
exists less ~o to react
as in (38). Note that
the reaction involving
the oxide and ~Oa' such
as reaction (33) for Mgo,
was not proposeC!.
(cont.) (cont.) (cont.) (cont.) (cant.)
-------
TRANSITIONS DECOMPOSITION
CO~!POUND !!.:& ~ 6H(kcal/mole) ~ l!:.£L Ncthod/Comrnents Products Reactions ~ DISCUSSION
21. ca(I'O')5 420-450 The decornposi- NO, N, 4Ca(NO~), ~ 2Ca(NO,), SI-026 Stern and Lee also both
(cont. tion in this + 2Ca + 2NO + N, LE-005 commented 00 the rate
temperature (39) studies of Protsenko and
range was stud- Bordyushkova published
led in argon, in 1965. The overall
air, and under stoichiometry in argon
vacuum. Rcac... was given by (39). Th.
tion (39) be- nitrate is still relative
comes important ly stable in the tempera-
in this range. ture range studied. The
decomposition rates in
air and vacuum were
greater than in argon.
Rate constants and an
activation energy tolere
calculated for (39).
Tempera- ~&: ~o: 2CaO + 4NO, ;! Ca(N03 ~a LE-005 The relative amounts of
tures + Ca(NO,), (40 the products formed in
above Ca(NO,), ~ Ca(NO,)~ this range depend 00 the
the dc- + 0, (1) temperature ~nd the dura-
cornposi- tion of decomposition and
cion the amount of nitrite
tempera- undergoing decoJ'lposition
ture of (LE-005). Lee suggests
the ni- that ultimately the ni.;
trate. trite decomposition ratc
is dependent on the rate
of reactions involving
I Ca(NO.), and CaO in the
..... melt.
00
I 22. Ca(I'O,), 'H,O The nitrite, Mostly Ca(NO,), i! CaO + NO OZ-003 Oza stated that earlier
mixed wi th char- NO. + NO, (36) workers have noticed
coal, was evac- ~~de N:o. C + NII03 t! CO~+ N~O nitrite decomposition
usted and heat- beginning at 330 and 36Q
ed in stages to CO, only (42) His work showed that the
4000. The gas- at 280. C + 2NOg t! CO:a+ 2ND ~~~O:~~~i 2~~n w~~gir;s ~t
eous products CaCO,,; (43)
were analyzed CaO. C + 2NO ~ CO,+ Nt4~ evolved. It is probably
as well as the slO\" at that temperature
solid residue. and could go unnoticed
80 Dehydration CaO + CO, ~ CaCO, (45) if the nit rogen oxides
reacted in the t;.el t.
(3/4 the water). In the presence of char-
280 CO, first cvolv- 2CaO + 4NO, t! Ca(N2Q ~a coal, however, the pro-
ed. Also NO and + Ca(NO,), (. duct nitrogen oxides
N;;;. N;: 0 ana1y- would rather react to
sis not perform.. form CO2 than react with
ed. Nitrite de- CaO or Ca(NOa):I. In
composition be.. fact, nitrate was found
gan at this in the residue on1y in
temperature. 4 hour experiments at
350 ~~'N~b ~~~~~~~: 4100 when smaller
amounts of charcoal were
added.
400 NO and Na evolv- A further result is th<1:
ed in greater the nitr
-------
CO:1POUND'
23. Ca(NO.).
I
I\)
o
I
CO~!POUND
23. C(~~~~~5
I
I\)
I-'
I
TRANSITIONS
~ ~ "'{(kcal/mole) ~
561 SoL 5.09 LA-OOS
TRANSITIONS
T('C) 1m.!!. ~H(kcal/mole)
~
DECO~OSITION
250-350
575
475
(cont.)
~ Method/Comments
No experimental
measurements
performed.
~
CaO pellets were
packed into an
absorption cham-
ber and 10% NO,
10 N; was c ireu..
laced at a rate
of J.9 moles/hr.
The rate of reac-
tion (40) is max-
imum 10 this
temperature range.
Ca(~O,), is oxi-
dized to Ca(NO')g
beginning at 250 .
Lazarini and co-
workers cited
575°C from an
earlier publica-
tion by Addison
as the temperature
at to/hleh bubbles
appeared in a cal-
cium nitrate melt.
Lazarini also cited
this temperature
from Duval's TGA
measurements as the
one at which decom-
position began. He
stated that it is
commonly found that
alkaline earth n1-
traces begin to de-
compose at tempera"
tures below cheir
melting point.
Ca(N03}; was pre-
pared by drying the
tetrahydrate at 120
or 1600 C for 24 hrs.
The decomposition of
the anhydrous sal t
was studied on a
(cont.)
DECO~OSITION
!!:..£L Method/Comments
thermobalsnce at
a heating r3tc
of 51:1 C/min. Gas-
eous resc tion
products were
removed by a
flowing stream
of N;.
Decomposition
began at this
temperature.
455
Products
Isothermal meas"
urements of the
variation of
weight 1055 with
time were made
at 440, 450, 460
and 475. Gaseous
produc ts were
removed.
CaO.
gaseous
products
not ana-
lyzed.
r~l~~~e~e~::~-
sing at 120 and
200 were used to
trOduce the an-
Th~r~~~~;~~i-
tion wa5 stud-
ied at tempera-
tures below the
melting point
(470 to <550).
Caseous products
were removed
onl~' ,pprln9~-~l\~,ly.
)":;':-:'-,1':" J
g~,~O.
net ther
N;. N;O
nor N;O.
could
be detec-
ted. The
condensed
phase was
not stud..
ied.
Reac tions
Ca(NO,), ;! CaO + 2NO,
+~. (47)
2CaO + 4NO, ;! Ca (N(40~). AT-010
+ Ca(NO,). 0)
Not given.
Reactions
None g1 ven.
None given.
~
LA-Oll
BO-009
~
ST-026
DISCUSSION
Stern (ST-026). findins
no data published prior
to 1964 on decomposition
'of the anhydrous salt,
calculated thermodynamic
data for reaction (47)
from 25 to 527'C.
A dissociation pressure
of 0.6 atrn was calculated
for 527'C although the
reported mel ting point
is 561'.
The rate of absorption
of NO; on CaO was stud..
led and the products
were the nitrate and the
nitrite. These results
are in contrast to those
found at 0° C by Oza for
absorption of a mixture
of NO and 1'\0;. OZa re-
ported no nitrite forma-
tion at all.
LA-Oll
(Addi-
son)
LA-Oll
(Duval)
LA-Oll
From the thermogram it
was evident that weight
loss began at 455°C. It
was not possible to
carry out the decomposi-
tion at the 5°C/min.
heating rate because
(cont.)
(cont.)
DISCUSSION
spattering occurred.
Therefore, it is not
known at what tempe.ra-
ture the residue con-
sisted of oxide.
From the shape of the
weight loss curves ob-
tained isothcnnally, a
physical description of
the decomposition mech-
anism was obtained.
First the nitrate begins
to decompose to a limit-
ed extent. Then it be..
gins to melt and the
weight loss curve be-
comes linear. Cas bub-
bles were observed in
the melt. ~inally the
solid phase (CaO) crys-
tallizes from the melt
and at the same time the
weight reaches a constant
value. According to
Lazarini I S mechanism,
the rate of decomposition
is limited by diffusion
of the g3seous decompo-
sition products (bubble~
at the phase boundary.
It is stated that the
surface area is reduced
by melting and then re-
mains constant, 80 that
a constant decomposition
rate results.
The decomposition was
slow at 470, but small
increases in temperature
caused a great increase
in reaction rate. The
amount of oxygen evolved
was constant throughout
the reaction. The pro-
duction of NO went
through a minimum in the
middle of the reaction j
at the same time, a max-
imum in NO, production
occurred.
-------
TRANSITIONS DECOHPOSITION
COHPOUND !C.£l. !m! 6H(kca1/mole) ~ ~ Method/Comments ~ Reactions ~ DISCUSSION
23. Ca(NO,~, Decomposition was
(cont. continued by
raising the tcm-
perature (still
belmv the melt-
ing point) until
00 morc g3S cvo-
lution was 00-
ticed. The de-
composition was
slow. 00 melting
~~c~~;;~~r;~~ the
pro due t was in
the fo~ of well
distinguished
crystals.
The dccomposi- Not Not given. SH-017 No comments were made
tion was stud- given. in the abstract con-
ied by thermo- earning tho composition
gravimetry at of the residue or the
a heating rate gaseous production.
of 6.9c Imin.
480-5DO The dccornpo-
sition was
found to take
place in this
I temperature
N range.
N DTA "'35 used lIoi trous None given GO-014 See discussion for
I to study Ca(N03)2 fumes" Sr(NO,).. (No. 26).
dccornposi tion.
The heating rate
was 15°C/min.
End otherms were
recorded at 552,
609. and 642.
550 Fusion
581 Rapid bubbling.
642 Rapid evolution
of nitrous
fumes.
24. Ca(NO,), 'nH,O The follm~ing Not des- None given. GL-008 This work was done in a
ten'perature cribed. study of the evaporation
ranges of sta- and crystallization of
bility were solutions containing
found for the nitrates I carbonates I
hydrates. and sulfates.
26-126 Tctrahydrate
126-215 Trihydr ate
215-315 Dihydrate
315-435 Y~nohydrate
(cont.) (cone.) (cont.) (cont.) (oont.) (oont.)
TRANSITIONS DECOMPOSITION
CO}!POUND !C.£l. !XE£ 6H(kca1/mo1e) ~ ....!.!:..£L Method/Comments ~ Reactions ~ DISCUSSION
24. Ca(NO,), .nH,O 435 Anhydrous ni-
(cont.) trate
>500 Nitrate decem-
posi tion.
Ca(NO,), ~ CaO + ~~~~ KE-021 Kelley reported the tet-
+ .1.;0, rahydrate crystallizes
from water at ordinary
temperatures. This is
in agreement wi th Gla..
dushko (GL-008). Kelley
also states that the
tetrahydrate can be de-
hydrated wi thout decom-
position and that the
dehydration sequence in..
vol ves the tetrahydratc I
the trihydrate and the
dihydrate with no forma-
tion of the monohydrate.
These results are in
contrast to those of
Gladusko (GL-008) who
reported the formation
of the tr,onohydrate in
the range 315-435.
Kelley calcuLated the
free energy of (47) os
a function of tempera-
I ture up to abou t 600. C.
N He found that the de-
W composition pressure
I becomes 1 atrn at 544°C
if the Na forming reac-
tion is neglected.
:rherroogravimet- CaO. gas None given. WE-021 Wendlandt's results for
ric analysis was phase the range of stability
used to study not stu~ of the anhydrous salt
the dccomposi- ied. ~~~~~s~~~h (~~~~g8):
tion of the tet-
rahydrate. The However, no evidence of
heating rate r:lonohydratc format ion
was 5°C/min. and was found. The tempera-
a slow stream of tures of formation for
air was passed the cri- and dihydrates
through the fur- were quite easily dis-
nace. The £01- tinguished from the heat--
lO\ving tCJ:1pera- 1n8 curve. Note that
Cures of interest Lazarin! reported he
were noted. was unable to carry out
50 Began losing the decomposition at a
water. heating rate of SOC/min,
130 Formation the same as used by
Wendlandt I because of
Ca(NO,),' 3H,0 spattering.
160 FOl11lstion
Ca(NO,),' 2H,0
(cont.) (cont.)
-------
TRANSITIONS DECOMPOSITION
COMPOUND ~ !II!!. l>H(kcal/mole) ~ ....!.crL Method/Cotm\cnts Products Reactions ~ DISCUSSION
24. Ca(NO.~. 'nllo° 220-425 Anhydrous salt
(cont. stable in this
r~gion.
645 No further
weight loss.
25. Sr(NO.). 274 S-S ST-026 264 Decomposition Not given Sr(NO~? ;!SrO+NO ST-026 Stern and Lee both
285 S-S measurcable at by Scern + N . (48) LE-005 cOtIlI1cnt on the work of
this tempera- or Lee. sr(NO~)b+ NO. Oza and Patel. Both
421 SoL ture. (49) the gas phsse and tre
385 SoL 550 Decomposition ~ Sr N .).+ N. condensed phases were
Sr(NO~)&+ 2NO analrzed. The mechanism
temperature ~ Sr N .).+ N. (50) in (,8) through (52) was
reported by aza
(ST-026, LE-005) SrO + 2N05 + %0. proposed. The equilibria
i! Sr(NOa ::I (51) in (50) and (51) are
640 Oxide formation apparently quite tempera-
NO. ~ NO + %0. (52) ture dependent. Oza
pointed out that for (51)
the equilibrium is 00 tho
side oE nitrate forma-
tion up to 6400 and ox-
ide fomation above that
temperature. Stern re-
marked that far an
carlier decomposition
study carried out at tem
peraturcs up to 369, no
N form.1::ion was reported
.
I He concluded that reac-
N tion (50) does not become
~ important until higher
I temperatures are reached.
The kinetics When 4Sr(NO.). ~ 2Sr(NO?)~ LE-005 The kinetic study of
were studied nitrate + 2SrO + 2NO+No (3 ST-026 Protsenko and Bordyush~
at 420 and 450 is sta~ Sr(NO.). ~ Sr(NO.)~ kova was discussed by
where the ni - bIe: NO, + %0. ( 4) Lee and Stern. The over-
trate is still NO"" SrO, all rcaction ,...as repo:.-ted
stable. Sr(NO.).. as (53) while (54) was
At high- proposed to account for
er tem': the presence of oxygen
peratures: in th~ reaction products.
°2, N2, This differs from the
NO, N02. work of Oza who proposed
SrO, and that oxygen was produced
Sr(NO.).. by the dissociation of
NO. as in reaction (52).
26. Sr(NO.). 645 SoL 10.65 LA-008 615,672 Stern cited ST-026 Stern reported that there
ST-026 these tempera- was disagreement on the
618 SoL ST-026 tures as those temperature of both the
reported by melting point and the
605 SoL ST-026 dif ferent beginning of decorr.posl-
605 LA-OIl authors for tion. He found no detail.
SoL the beginning cd studies on the decom-
570 SoL of decomposi- position of the anhydrous
645 'SoL tion as evi- salt published up to1964.
denced by
(cont.)
26.
COMPOUND
Sr(NO.).
(cont. )
TRANSITIONS
T('C} !II!!. 6H(kcal/mole)
DECOMPOSITION
~
!!:£L Method/COimlents
bubbles appear-
ing in the melt.
~
Reactions
~
DISCUSSION
TCA was used to
study the de-
composition of
the anhydrous
salt at a heat-
ing rate of
6-9°/minute.
Decomposition
temperature
None
given.
None given.
SH-017
Calcium and barium ni tmtes
were also studied in this
work. The decomposi tion
temperature for the stron-
tium salt should be'be-
tween that for the calcium
and barium salts. Shargo-
rodskii found, however,
that strontium nitrate
~:~:~~~~~e a~h:n h;t~h~r
calcium or barium.
580-600
680
TGA was used at
~f h5:~~~fn~~;~
Gaseous products
were removed by
a flowing stream
of nitrogen.
First notice-
able weight loss.
Constant weight.
Isothermal meas-
urements of
weight loss vs.
time were maae
at 480, 500,
520 and 540.
None
given.
Nona given.
LA-Oll
Lazarini proposed the same
course of reaction as that
described for the decom-
position of calcium ni-
trate: some decomposition
before the melting point,
melting with decomposi-
tion, and crystallization
of the oxide. The fact
that decomposition occurr.
ed before the melting
point was suggested co
account for the discrep-
ancies in reported mel t-
ing points.
480
I
N
I.n
I
280
TGA was used at
~f h5~X~g'mi~~~e.
Reaction products
were removed in
a slow stream of
air. Thermal
effects were
noted at the
following tem-
peratures.
~~~f~o~~ ~~t~
temperature.
Rapid weight
loss.
Constant weight
of unknown com-
position.
No furthar weight
108S. oxide form-
ed.
None
g1 ven.
None 8i ven.
WE-oil
./
;~~i~o:~~:;t~~~b~~ ~~e
the range 440-510 is un-
known. The percent weight
loss did not correspond
to either formation of
the nitrite or a basic
nitrate. It is interest..
ing to note that Lazar!ni
reported no weight 108s
~~e t~o~~O ~f b~~ ~:r~~:r cite
publication according to
:~~c~O~;dw a~e~80gosition
280-440
440-510
64S
-------
._~-~~--
TRANSITIONS DECOMPOSITION
COMPOUND I!:.£l !m. lIH(kcal/mole) ~ ..1.!:..£L Method/Comments ~ Reactions ~ DISCUSSION
26. Sr(NO,~. Dl'A was used to Nitrous None given. GO-014 A physical description
(cant. study the de- fumes. of decomposition was given
composition. for calcium, strontium
The heating and barium nitrates. At
rate was 15'C/ temper stures up to 50a
minute. Tern.. above the melting point
peratures for bubbling occurs. About
endotherms were 50a above the temperature
620 and 726. of first visible bubbling.
618 Fus ion decomposition to the oxide
and nitrogen oxides occurs
635 Slight evolu- accompanied by a strong
tion of brown endotherm and rapid evolu-
nitrous fumes. tion of nitrous fumes.
672 Vigorous bub..
bling.
715 Rapid evolution
of brown nitrous
fumes.
27. Ba(NO.). 203 S-S ST-026 250 Decomposition At low Ba~N~b)' ~ BaO + NO, ST-026 Decomposi tion has been
230 S-S has been noted tempera" (55) LE-005 observed as low as 250aC,
as low as this tures, Ba(NO,),+ 2NO ~ Ba(NO,)., which is probably why
262- Sol temperature. mostly + 2NO (56) there is wide disagree..
284 400 The resc tion NO and ment in reported values
between BaO and a little BaO + 3NO ;t Ba(NOt), ~~:~~udi~~i~~ f~~~~40'C
NO; becomes N,. At + %N, 57)
I tempera- Ba(NO,), ~ Ba(NO,)~ showed rate to vary in
N important above tures the order air> vacuum >
0\ this tempera.. high e- + 0, ( 8) argon.
I ture. nough
525 The nitrate for tha
begins to slow.. nitrate
~h1~e~:~~;:- at to de..
compose
ture. NO~ and
~is~re
formed.
The decomposi.. At 400' See reactions 55..58.. OZ-002 This work was reviewed
tion was studied the by Lee and Stern, but
over the range products many of the results were
400-550. The are mas t.. not discussed. OZ8 con-
effects of time, ly NO eluded that the reactions
mass of starting with some occur in the melt since
material, and NO, and with increased mass of
addition of n1.. ~~6' ~~e starting material more
trate were also nitrate is produced and
studied. amount of less nitrogen oxides are
400 Reaction is NO, in- produced. Reaction (57)
slow. creases. was proposed as the methoc
of N:a production w1Jh the
550 Nitrate decom.. reaction occurring mainly
position be.. in the melt. Reaction
comes imporcant. (57) was found to take
(cant.) (cant.) (cant.) (cant.) place at 200'C.
(cant.) (cant.)
TRANSITIONS DECOMPOSITION
COMPOUND I!:.£l !m. ~H(kcal/mole) ~ ~ Method/Comments ~ Reactions ~ DISCUSSION
27. Ba(NO,). A TGA study un... Gaseous 2Ba(NO,), ~ Ba(NO,)~ PA-013 These studies were per-
(cant.) der vacuum was products + BaO+ J,N, (5) formed under nonequili.
carried out from not ana.. Ba(NO,), ;1 BaO + ~~g, brium conditions with
90 to 700'C. lyzed. + %0, gaseous products remcwed.
Gases were re- Reaction (59) is just
moved from the the sum of 2 times (55)
condensed phase. plus (56) plus (57).
The solid pro.. Reaction (60) was pro"
ducts were posed for nitrate de-
studied using composition but was not
IR methods. verified experimentally.
The following
was found ~
90-150 Nitrate forma-
tion wi th
stoichiometry
as in reaction
(59).
150-450 Constant weight.
450-600 Weight loss,
oxide fOnTIation
according to
proposed reac"
tion (60).
The reaction Ba(NO ) + 2N,0. OZ-007 Reactions (61') and (62)
bet,.,Ieen N:a O. - BatNb,),.:. 2N.Ot should also be considered
and Ba(r\0a)a . 61) in the mechanism for ni..
I was studied be.. B~O B:(~~~', - Ba(N~~~, trite decomposition since
N low 350 and ~~:y m:i~~t ih~e ni~~~~e in
"-I that of Na O.
I + BaD below reaction is not apprecia"
500. The dura" ble until 300 and the ox-
tion of each ide reaction becomes
reac tion was appreciable at 200.
30 minutes.
28. Ba(NO,). 595 Sol 6.0 LA-008 525-550 Slow decom.. Ba(NO,), ~ Ba(NO,), ST -026 Decomposition of the
588 Sol GO-014 position has + 0, (58) liquid jus t above the
been observed overall: melting point is slow.
in this tem.. Decomposition pressures
perature Ba(NO,), ~ BaO + 2N~ for (60) were calculated
range. + %0, (60 by Stern up to 800' K and
extrapolated to 1100' K
and by Kelley (KE-02l).
rtrA was used None None given. GO-014 The value for melting
to study the given. temperature is low~r than
decomposi tion the value reported 1n
of barium several compilations.
nitrate. The No decomposition was
following were noticed up to 588, which
noted. is in disagreement with
< 587 No thermal the work of Oza (OZ-005)
effects. who reported nitrite
formation at 525.
588 Fus 10n (cant.) (cant.) (cant.) (cant.)
(cant.)
-------
TRANSITIONS DECOMPOSITION
COMPOUND T(OC) !m t,H(kcal/mole) ~ ~ Method/Comments ~ Reactions ~ DISCUSSION
28. Ba(NO.~. 605 Slight bubbling.
(cont. 661 Slight evolution
of 01 trauB fumes
(NO.).
692 Rapid evolution
of 01 traus fumes
(No..>.
TGA was used to Not Nooe g1 ven. SH-017 Barium nitrate began to
study the de- given. decompose before stron-
compos! tion at tlum nitrate according
a heatin, rate to thla a tudy .
of 6-9'C minute.
555-600 Thla was estab-
l1shed as the
decomposition
temperature.
TGA was used to BaO, None given. LA-Oll Bao.. 10 still stable at
study the de- BaO. 500 in N. and 540 in 0..
compos! cion. and 1 t is B lwsys the reac-
Reaction pro- tion product. The BaD
ducts were re- which results is oxidized
moved by a by the 02 produced from
nitrogen stream. No.. dissolution. The
Some isothermal rate of decomgosltioo
rate measure.. was said to be limited bY
ments were transfer of gas bubbles
I carried out at' through the gas-soUd
N 460. 480 and interface.
CD 500.
I
495 Decomposition
temperature in
N; atmosphere.
540 Decomposition
temperature 10
0. atmosphere.
29. 'l1tanium No evidence for the
Nitrite existence of this com-
pound was found.
30. Ti(NO.). 58 SoL ST-026 58 Stable at least TiO.. NO. None given ST-026
up to this tcm- O.
perature.
31. Vandium No evidence was found for
Nitrite the existence of this
compound.
TRANSITIONS
DECOMPOSITION
32.
COMPOUND
Vanadium
Ni trats
TlOC) !m.!! ~Hlkcal/mole) ~
33.
Chromium
Nitrite
34. Cr(NO.>.
35. Cr(NO.>. . 9H" 0
I
N
\0
I
~
Method/Comments
60
TGA was used in
a vacuum and in
N. atmosphere.
Rapid decompo-
sition begins.
The rate of
decomposition
is greatest at
this point.
The first plat-
eau correspond...
ing to Cr30.
was reported at
this tempera-
ture.
100
zoo
96
Lowest sample
temperature at
which HNOa va-
pors were ob-
served.
First cnda..
thermic effect
caused by the
mel ting of the
salt in its
water of crys..
tallization.
Interval dur-
ing which
second endo-
thermal effect
occurs. This
is due to the
simultaneous
boiling of the
melt and decem...
position of the
nitrate.
}'1aximum concen-
tration of HNO~
vapors (4. 76X)
recorded at this
temperature..
< 120
120-160
130
~
~
Reactions
DISCUSSION
No evidence was found for
the exis tence of this com...
pound.
No evidence for the
existence of this com-
pound was found.
Cr. 0.
None given..
ST-026
Stern reports that
although no stable inter-
mediate was observed be-
low 2000 C in the thermo-
gram. the decomposition
may have involved a series
of unstable oxide nitrates.
None given.
KA-022
Spectra...
metric
analy sis
of gas-
eous pro"
ducts
showed
traces
of HNO..
the con...
centretion
of which
increased
with in-
creasing
tempera-
tura.
-------
~
COMPOUND
35. Cr(NO.). '9H.,0
(cont.)
TRANSITIONS
!.C£l. !x2.2. 6H(kcal/mole)
~
I
IN
o
I
36. Manganese
Nitrite
37. Mn(NO.).
DECOMPOSITION
..!!.:.£L Method/Comments ~ Reactions ~ DISCUSSION
TGA apparatus Analysis None given. WE-02l In the interval 250-380.C
was employed in of the a plateau was reached in
;ht~n:;~dhe:~~h gas phasa the thermotram. The com-
was not position 0 this .phase
;~fo~i~~n~f A carried was unknown; however t the
out. author states that it did
slow stream of not correspond to a basic
air was passed nitrate.
through the
furnace.
55 Salt began to
lose water of
hydration.
55-250 A rapid weight
loss was ob-
served 10 this
range.
250-380 Constant. weight.
380-445 Funher weight
loss.
445 Constant weight
Crg03 formed.
Decomposi tion Crn(OH)3n-lN:O nCr(NO.). '9H.,0 MA-042 The author stated that
to a basic 01- ~ Crn(OH)'n-lNO. ~~~~:~~s d~~~h~~;~;~~
trD;tc was HNO., H.,O
carried out in + (3n-l)HNO. (g) nitrate intermediates.
presence of re- + (6n+l)H.,0(g) By not allowing the de-
ducing agent composition to go to
such as alcohol (63) complction. the stable
or acctone to intermediates were iden-
prevent conver- tified.
sion of Cr(IlI)
to Cr(VI).
No evidence for the exis-
tence of this compound
was found.
-160 Decomposition Mno. Mn(NO.). ;t MnO.+ 2N~ ST-026 Stern reported that con-
begins. NO, (64 DE-024 flicting opinions exist
180 Another study Mn01.. ~~ ~~: ;~l:c~ie ~on:~~r60n
at 10-' tmJ Hg and Gatehouse (AD-004)
resulted in this characterized it as
decomposi tion cavalent, but Dehnicke
temperature. and Straehle (DE-024)
230 Rate of decem- reported that the salt
position is had considerable ionic
greatest at character.
this tempera.. Some disagreement olso
ture when exists on the composition
reaction is of tha oxide produced by
carried out thermal decomposition.
in an atmosphere Stern gives reaction (64)
of dry N..
TRANSITIONS DECO~IPOSITION
COMPOUND ~ !xI!.!!. flHCkcal/molc) ~ ..!!.:.£L Ncchod/Commencs ~ Resc clons ~ DISCUSSION
37. .1n(NO,~. > 50 Some decomposi- KA-023 Absorption of NO, by MoO,
(cont. tion of the ni- was studied. The results
trate occurs. showed that the absorp-
tion efficiency decreased
with increasing tempera..
ture due to product de-
composition beginning at
50.C.
38. Mn(N~ .411,0 37.1 SoL RO-007 TGA study of Mn(NO,>. '4H~0 LU-Oll Lumme and Raivio (LU..Oll)
stability and - Mn(NO.).' H,O stated that during inves-
kinetics in + 2H.,0 (65\ tigations of n-hydrates
static air. carried out by Duval (DU-
50-184 16.6% measured Mn(NO,). 009) and Dubois (DU-007,
weight less .2H.,0 DU-008), no stable inter-
corresponding mediate hydrates were
to partial de.. detected. Dubois found
hydration. ~~o~r~:r:gi:e a~m~80~
184-279 Weight loss Mn0a. Mn(N03). .2~0 300.C, which. changed to
(58.57.) H.O, NO. ~ MooO. + 2H., +2NOt Mn,O, and Moo,O, at higher
66) t~mperatures. Duval re..
279-528 Constant ported the product at
\V'eigh t" 70QoC as Mn301"
The activat1.on enerries
528-635 Weight 10s5) Mn;03) MnO. ~ ~Mn.O.+ tOt for reaction ('65), (66 ,
(10.27,). O. 67) and (67' were reported
to ba 9.3 % 0.3, 23.7 %
I 0.5, and 45.7 % 2 kcal!
IN mole respectively.
....
I A pyrolysis LU-Oll This investigation was
study in a (HE-014) done by HegedUs (HE-014)
.honnal acmes- and reviewed by Lwr.me and
phere" gave t11C Raiv10 (LU-Oll) . No sta-
£olloHing rc- ble 'intermediate hydrate
suIts: was detected in this
50-230 Decomposition ~-MnO, study. The l-f.n0a stable
of tetrahydrate temperature range was
during this found to be lower than
temperature that re)orted in reference
interval. (LU-011 .
450-580 Further decem- (1-MnaO"
posi tion.
39. Mn(NO.). 25.8 SoL 9.61 MA-025 22-51 Melting of the Spcctro- None given. KA-022
'6H.,0 RO-007 nitrate in its metric
LA-008 water of erys- analysis
tallization. of gnscous
117-61 Boiling of the products
melt occurred showed
along wi th traces of
partial rcmov- HN03, the
a1 of the water. eoncentra..
tion of
(cont.) (cont.) (cont.) (cont.) (cont.) (eont.)
-------
TRANSITIONS DECOMPOSITION
COMPOUND !..C.:£l !ms. AH(kca1/mo1e) ....!!2h.. ~ Method/Comments Produces Reae cions ....!!2h.. DISCUSSION
39. Mn(NO,). 145 Temperature at which None g1 ven. KA-022
'6HgO which first HNO, increased
(cant.) vapors were ob- with in-
served. creasing
186 Dccornposi tion tempera-
of the sample ture.
became inten-
sive, followed
by cooling to
168.
215 Temperature at
which maximum
concentration of
HN03 vapors re-
corded (1.16%).
Mn(NO,). '6HgO(t) KE-021 Using heats of formation
;! MnO.+ 2NO.+ 6HgO(t) reported in the Ii cera..
ture, Kelley calculated
(68) overall heats of decompo-
Mn(NO,) , '6H,O(t) sitlon (reactions 68 and
69) at 298.2°K. He also
;! MnO,+ 2NO.+ 6HgOiA) estimated free energies
(69) and equilibrium pressure-
temperature relationships
associated witb the SSIDe
reactions.
I 40. Ferrous No evidence for tho exis-
I.N Nitrite tence of this compound was
N found.
I
41. Ferrous No evidence for the exis-
Nt trate J tence of this compound was
Anhydrous found.
42. Fe (N0il). 60.5 SoL RO-007 No information concerning
. 6Hg the decomposition of this
compound was found
43. Ferric No evidence was found for
Ni tri te the existence of this
compound.
44. Fe(NO.). 35- SoL AN-008 100-250 Sample decom- AN-OOa DTA analysis of catalyst
100 posed over this mixtures gave these reA
range in a DTA suIts. The article was
study. not available in English.
and the identity of the
compound for which these
data were reported 1s
questionable.
(cant.) (cont.) (cant.) (cont.) (cant.) (core .)
TRANSITIONS DECOMPOSITION
COMPOUND !..C.:£l !ms. tJI(kcal/mo1e) ....!!2h.. ~ Method/Comments ~ Reactions ....!!2h.. DISCUSSIC~
44. Fe (NO.). Room Slow dec~posl- LO-014 This investigation was
(cant.) Temper&- tion occurs. the first successful
ture attempt to isolate the
- 70 RApid decomposi- Fea O. compound. It was report-
tion occurs ad to be a yellw-brown
under reduced involatile solid having
pressure. low thermal stability.
Stern (ST-026) reported
that anh?;drOus ferric
nitrate ad only been
prepared as the vola tile
edduct Fe (NO.), . N. 0, ,
although Fe(NO.), might
exist in the vapor stato.
45. Fe(NO,>. 50.1 S.L RO-007 The s tabilL ty and LU-010 Lumme and JunkkarLnen
.91100 kinetics of decOt1)o (LU-010) reported an
position were i~~~v:t~~6 ~:l'~o~; and
studied using TGA
~~~~ ~f h~~5~~'hr. a reaction order of 0.55
in an atmosphere for reaction (71).
of sta.tic air.
50-139 Partial dehydra- Fe(NO.>' Fe(NO,). '9~0
tion occurs (18.9 '5HgO ~ Fe(NO.),' HgO
:t wt. loss.) +4HgO (70)
139-405 Further weirht ....e.o&, Fe(NO,), '5H~
I loss (74.4% . NO~, 0' - "Fe~o,+ 5 °
I.N an Hg +3N .+ ,/,0. (71)
"" 405-850 Constant weight.
I
84 First HNO:s Spec tro- Nono given. KA-022 The HNO:s observed at
vapors were de.. metric 840 C could have been
tected. analysos an impurity attached to
<120 Endothermic of gas- the original sample and
effect due to eQUS pro- does not necessarily
melting of the ducts mean that nitrate decom-
showed position had begun
salt in its traces of
water of crys- HN03 va-
tallization. pars.
120-160 Interval during
which simultan-
eous boiling of
the melt and de-
composition of
the nitrate
occurred.
163.5 Greatest HNO:s
vapor concen-
tration (11.52%)
was observed at
this poin t.
(cant.) (cant.) (cant.) (cont.) (cant.) (cant.)
-------
------ - ------------------ --------...---------...--------
TRANSITIONS DECOMPOSITION
COMPOUND T('C) ~ ~H(kcal/mo1e) ~ J..C.£L Method/Comnents Products Reactions ~ DISCUSSION
45. Fe(NO,), TGA study emp10>," None given. WE-02l This investigator t in
.9H.0 ing a heating contrast to Lumme (LU-OlO),
(cant.) rate of 5.4'C/ did not observe a stable
min. A slow intermediate hydrate or
stream of sir anhydrous nitrate.
removed the
gaseous products.
The following
thermal effects
were observed:
35 Salt began to
lose water of
hydration.
445 Constant. weight
achieved.
This TGA study 3:0~6 H. 0 ~ 2HNO, (7 2) KE-026 This behavior of this
in air was compound was described
carried out in as unique in that no red-
two parts: 1. brown NO. fumes were
Programmed detected. The author
heating rate of proposed that the NOa
5.6' C/min.. and formed, if. any, reacted
II: Extended with excess water vapor
I run lasting .... according to reaction
IJJ 84 hours over a (73).
~ 43D' tempcra- No stable intermediate
I ture span. was detected in either
fo~ ! eo to run. The final product
o C : was analyzed by X-ray
diffractionj the result
100-150 Weight .10ss be- was in agreement wi th
fan during this all other studies with
nterval.> the exception of that of
25D Decomposition Duval (DU-010) discussed
below.
approaching Note the lower decom-
completion position temperature
350 Cons tent weight a.-Fe.Os :t~:e~P~~~~!~~O~a~:. the
as shown on
thermog rom.
Run II (20-450'C):
20-100 Weight 10s5 be-
gan during this
interval.
200 Decomposition
fairly complete.
215-450 1.1'4 weight 1000 a.-Fe. Oa
recorded during
this interval.
38 Begins to lose 1100. NO, None given DU-010 The final product report..
water of crys- ed by Duval 10 in dis-
tallization. agreement with the re-
aults of other investiga
(cant.) (cant.) (cant.) (cont.) (cant.) tara (KE-026. (cant.)
TRANSITIONS DECOMPOSITION
COMPOUND T('C) !m£. AH(kcal/mole) ~ !.C..£L Method/Comments ~ Reactions .J!2!..... DISCUSSION
45. Fe (NO.). 120 Red fumes given DU-010 LU-010. WE-02l). The
.98,0 off. Decompo- temperature at which
(cant.) sition begins. constant weight is reach-
144 Reaction becomes ed 1s .... 100-150 degrees
intense. lower than that reported
in several of the studies
160 Reaction slows (LU-010. WE-02l) although
down as it in fair agreement with
approaches this the third (KE-026).
temperature.
Last traces of
n1 trogen oxides
observed.
311-1000 Constant weight. Fea O.
46. Co(NO,), -100 Decomposition NO, ST-026 Stern regards the eX18-
begins tenee of this compound
as doubtful.
47. Co(NO.), 100-105 Decomposition COa 0. None given. ST-026 No intermediate 10 formed
begins. in the decomposition.
-170. Conflicting
270 reported tem-
peratures at
which rate of
decomposition
is a maximum.
I 180 Decomposition Co:) 0. , DE-024
IJJ in a vacuum NOa' 0;
V1 occurs at this
I temperature.
48. Co(NO,), -33 S-S 1.7 PO-012 rtrA study Car- None given. SA-026 Note that the thermal
'61100 20 S-S 0.7 PO-012 ried out with effect at 150-180' C
0.1-0.15 g reported in this investi-
57 SoL RO-007 samples. Heat- gat ion corresponds to the
lng rate was decomposition temperature
15-17'C/min. for the anhydrous salt
The fallowing reported by Dehnicke and
thennel effects Straeh1e (DE-024). No
were observed: explanation was made in
55-60 Melting in the abstract for the
water of crys- affect at 250-80. It was
tallizatlon. 8180 reported that an
exothermic effect occurre:l
150-180 Evolution of NO, but the abstract does not
gaseous product. state at what temperature
250-280 E~dotherma1 it took place.
"£feet.
280-80. FInal product COa 0.
10 stable.
(cant.) (cant.) (cant.) (cant.) (cant.) (cant.)
-------
TRANSITIONS DECOMPOSITION
COMPOUND T(.C) Im 6II(kcal/mole) ..!!L.... .:!!:£L Method/Comments ~ Reacclons ..!!L.... DISCUSSION
48. Co {NO, ), The decomposi- LV-009 This study elso generatsd
'611,0 tion wes studied the activation energies
(cont.;) under air and for resction (73) in
dynamic nitrogen stetic eir end dynamic
atmospheres us- nitrogen atmospheres.
ing TCA. Ths Thsy ara 9.7 ,. 1 and
~:~~~:s h~e~~~C/ 11.4 ,. 1 kcel/mole re-
spectively.
min. Aftsr losing ell its
In air. the weter of hydretion be-
thermogram show- tween 50 end 233.C, the
ed the following: selt decomposed diractly
50-233 38.7~ we18ht Co (NO.)., Co(NO),' 6'i0 to Co30..
1088. 11,0, - Co{~O,),+ 11,0
(73)
233-280 52 .6~ weight ColO., CO{NO&)~ - V,Co.Ot
loss. NO., 0. + 2N, V,O, 74)
280- - Constent weight.
800
The nitrogen
etmosphere ther-
mogram was simi-
lar:
<50-227 34. 2~ weight Co{NO,).. Reaction (73)
loss. 11,0
227 -315 54.9~ weight CoaO.. Reaction (74)
I 1088. NOa. 0.
Ii.) 315- - Constent weight.
0\ 800
I
22-51 Endothermel ef- Spectra- KA-022 This study was reviewed
feet due to metric by Lumme end Junkker1nen
melting of the analysis (LU-009) who reported
nitrate in the of gas- similar results.
water of crys- eous
tallization. products
118-51 Endothermic showed
effect caused traces
~hs b~~t~n~i~~ of IINO,
vapors.
removal of
part of the
water of
crystallize-
tion.
138 First appear-
ente of HNOa
vapors.
190-245 Intense decom-
position.
217.5 Temperature at
which greatest
concentration
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
TRANSITIONS DECOMPOSITION
COMPOUND T(.C) Im AH(kcal/mole) ..!!L.... .:!!:£L Mathod/Comments Products bactlons ..!!L.... DISCUSSION
48. Co(NO')t (n~~J ~:~o~:-
'611,0 cont.) corded.
235 -40 Unexplained
thermal effect.
TGA was us ad to None given WE-021 Wendlandt reported no
study this com- intermediate breaks in
pound. The heee- the decomposition curve.
ing rate was S .4° He also noted thet the
CImino A slow minimum oxide level tern-
s tream of air perature mr cobalt ni-
wes pes.ed through trate wes the lowest of
the furnace. all 15 compounds studied.
50 Dehydration be- His results are similar
to those given by Lumma
gins. (LU-009).
290 Oxide level Co.D.
reached.
TGA was used for NO..I100 KE-026 Constent weight is not
two types of r.una Co. O. echieved et any stege
in eir. Typa I before complete decompo-
runs were pro- sition to cobalto-cobaltic
grammed runs at oxide.
:f h;~~~~m~:~e An increase in tlme, or
slower heating rate, w..
from 20 to 1040. C. found to lower the decom-
Type II wes en po.1tion temperatura.
I extended run
Ii.) lesting 53 hours
.... from 20-350.C.
I TVI>e I Run:
350 Decomposition to
C03 0.. complete.
TVI>e II Run:
ISO Red-brown fume..
210 Decomposition
complete.
49. Ni{Ne,). 220 Temperature at 5'1'-026 Thi8 compound i8 reported
which decompo- AD-OOS to be slightly volatile.
si tion in vac- ~~ ~~c~~~P~;~~O~~l r:~~~ior
uum occurs.
260 ~~~~n:n 1:n ~aseou8 N; 0.. . Addison
AD-005) stete. that
reaction of the carbonyl
argon atmos - with liquid N.O. rasult.
phere up to in formation of the oi-
this tempera- trete.
ture.
50. Ni{NO.), 260 Decomposition Ni{Ne,). 5'1'-026
begins at thi.
temperature.
105 Decomposition NiO KA-014 Kalincbenko. without 011>-
occur.. ing . reference, (cont.)
-------
~--
TRANSITIONS DECOMPOSITION
I
COMPOUND 1m !m. AH(kcal/mole) ~ ~ Method/Comments ~ Reactions -!!L DISCUSSION
SO. Nl(NO.~. reports thst decompositiO'l
(cont. occurs at a much lower
temperature than that
reported by Stern (ST-026).
He 8180 states that dis-
agreement exists concern-
;~~~e w~~~eratu~e
correspond to the various
phases and the composition
of the phases.
51. Ni(NO,>. 56.7 S-I,. RO-007 MA was carried SA-026
out with 0.1-
'61100 SO Sox. SA-026 0.15 g samples.
55 Sox. KA-014 Rote of heating
wes 15-17' CImino
~he t~h:~:~~am
showed 5 peaks:
50 Melting in
water of crys..
tallization.
136.7 Dehydration Ni (NO.),
.3N.0
270,275, Further dehy-
340 dration takes
I place.
W 800 Final product NiO
CO identified.
I
TeA. study C.Dr- KE-026 The slower heating rate
ried out in air resulted in lower decom..
in two parts: position temperatures
1. Progrmmned and the formation of a
run employing stable intermediate not
a heatin, rate detected 10 the tempera-
of 5-6'C min. ture programmed run. The
from 20 to author states that evo-
4010'C. lution of NO, fumes prior
to 250°C suggests that
200 Weight loss 1100 nitrate decomposition
corresponding starts before 4 moles of
to slightly water are evolved.
more than one
H,O.
<250 Red brown f\mles NO,
400 Decomposition NiO
essentially com.
plete.
>400 Constant weight.
II. Extended run
lasting 77 hours,
36 minutes from
(cant.) (continued) (cont.) (cont.) (cont.) (cont.)
51.
COMPOUND
~~~Ng. >.
(co~t.>
TRANSITIONS
~ !I2!. 6H(kcal/mole)
.J!!t:..
55
10
I
W
'1.16Ni~OH),
NiO
-------
Co.'iPOUND
51. Ni(NO.>.
. 6H., 0
(cont.>
TRANSITIONS
~ !I2!. IIHCkcal/mole) ~
..!!:.£L !lethod/Comments
TGA we. used in
a slow stream of
air. Gaseous
products were
not enelyzed.
Loss of water of
hydration.
R.spid weight
loss.
Formation
Ni (NO.>.
R.spid weight
loss
Cons ~ent weight.
50
50-205
205
>205
505
32-51
Experimental
details not
given in' ab-
stract.
Melting in
water of hy-
dration.
Partial de-
hydration
Observation
of HN03 va-
pors.
Decampod tion
of nitrate.
Greatest con-
centration of
HN03 vapors
observed .'
Unexplained
thermal
effect.
127 -162
138
I
.p-
O
I
162-259
235
290-337
52.
CuNO.
53. CuNO.
54. Cu (NO. >.
DECOMPOSITION
~
a_ctions
None given
....!!!!:...
DISCUSSION
NiO
WE-02l Only one stable hydrate
intermediate was observed.
Spectra-
photo-
metric
analysis
of gas-
eous
products
showed
traces of
IINO.
vapors
None given
KA-022
No evidence for the for-
mation of this compound
WeS found in the litere-
ture.
No evidence for the for-
mation of this compound
was found in the litera-
ture.
Stern (ST-026) states
that there are conflict-
ing reports concerning
the existence of this
compound.
TRANSITIONS DECOMPOSITIONS
COMPOUND ~ ~ J\H(kcal/mole) ~ ..!!:£L Mechod/Commencs ~ Reactions ~ DISCUSSION
55. Cu(NO.>. 255 SoL ST-026 <227 Vaporization of NO; J 0; None given. ST-026 , Stern reports that the
180- S-G 15.E the solid snlt. vspor pressure of Cu(NO,).
200 Only the solid has been determined.
phase undergoes
decompo 5i tion
1n this range.
>227 Both solid and
vapor decompose
above this tem..
perature.
325-75 R.snge 'of study CUO, NO., 'Cu++ + NO; ;t CuO + Net KU-012 The mechanism and kinetics
In equ1molar O. (76) of decomposition in alks-
melt of NaNO. - NO! + NO; ;1' 2NO. + %O~ li metal melts were stud...
KN03. ied. CuO was found to
(77 cetalyze reaction (77).
The author concluded that
possibly CuO might cata-
lyze any acid-base reac-
tion in nitrate solvents
where No:r Ion i8 the
...termedlate spee1'es.
Other metal oxides mi8ht
act similarly.
56. Cu(NO.>. '3H.,0 This study wes LU-008 The actlvatioo energies
carried out by for reac tions (78) and
means of TGA at (79) were calculated to
~£ h~~~~g'mf~~e be 13.2 ,. 2 and 48.4 ,. 2
I kcel/mole respectively.
.p- in static air. The reaction orders were
I-' 86-250 39. n weight Cu (NOJOH Cu(NO ). '3H.0 also determined.
I 'Some disagreement exists
loss. HNO. - Cu(~O.>OH + 1IN0t concerning the composi-
250 Basic salt 11.0 + 2H.,0 78) tion of the intermediate
formed. as reported in earlier
250-305 46.8% weight CuO Cu(NO.>OH - CuO + IINO. papers. Lumme ane! Junk-
1088. (79) karinen (LU-008) state
305-550 Thermogram that most investigators
agree that some sort of
shows nearly basic nitrate i8 formed
constant weight. at 250 heving s composi-
corresponding tion of either Cu(NO.). .
to CuO forma- OH,.. or Cu(NO.)(OH). .
tion. However Keely and !innor
(KE-026) report no basic
intermediate formation.
TGA was used 1n KE-026 Decomposition was com-
two types of pleted at a lower tom-
experiments. perature when the heat-
hJf~cm 20 to ;~~u~:~~ w~~ :~~~;~~~a~~~
the formation of an
200-250 Most of water :Jc0' CuO, oxynl trate was found.
10ss occurred N .
during this
interval.
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
-------
COMPOUND
~6. Cu(NO.). '311.0
(cont. )
TRANSITIONS
!!:fl ~ AH(kca1/mo1e)
~
DECOMPOSITION
350
~ Method/Cotments
210
70
70-165
165
I
~
....
III 165-325
I
325
120
-200
203
310-446
> 400
Ce»!POU!'D li:£l.
56. Cu(NO~).'31\P
(cant.)
TRANSITIONS
~ ~H(kcal/mole)
~
Decomposi tion
essentially
complete.
II. 35 (tram 20
to 0:
Decomposition
complete
The decomposi..
tion in a slow
stream of air
was studied
using TGA "Ii th
a hcating rate
of 5.4'C/min.
The gaseous
pro clue ts \"ere
not analyzed.
Salt began to
dehydrate.
Rapid weight
1055.
Break in the
curve corres-
ponding to a
basic nitrate.
Further decom-
posi tion was
observed.
CuO level.
r1J:A was employ-
ed by this in-
vestigator. l'o
l1ttcr.Jpt \"'as made
to analyze pro-
ducts or propose
rncchanist:ls. The
~C~~!g'm~~~e was
Dissolution.
Initial appear-
coce of nitrous
fume 5 .
Rapid nitrous
fumes.
UfA curve showed
a change from
endothermal to
cxo~hcrm.11.
1'0 further visi-
ble reaction.
Products
Cu,O(NO.),
CuO
DECOMPOSITION
Reactions
None given.
- 480
~ Method/CoTmlents
~7 .
Cu(NO.).
'~H.0
SOL
8.7
LA-008
24.4
58. AgNO.
I
~
N
I
85-140
(cant.)
Peak of exother-
mal portion of
curve with grad-
ual decrease to
761 'C.
Weight of sample
befoue and after
heating was meas-
ured in four
different atmos"
pheres.
Range of study.
1. Unsealed
Vessel J restrict-
ed air flow.
II.
sel.
III.
sel.
Sealed ves-
Open ves-
Decomposition
took place in
a va.cuum; NO:a
evolved was
trapped in a
chilled receiv-
ing nas k.
(cant.)
~
~M. NO,
(cant.)
Reactions
AgNO,
or
AgNO.
~ Ag + NO, (80)
-Ag+NO+J,O,
(81)
2~~g, ~ Ag + AgN~h)
3AgNO, - 2Ag + AgNO,
+ NO,+ NO (8;»
(cant.)
SC-029
(Diver&)
SC-029
(Div-
ers &
Shimiel-
zu)
~
DISCUSSION
WE-021
This investigator also
reported the fortr.3.tion
of a basic nitrate inter-
mediate, although dif-
ferent in cCJ.:1position
from those mentioned
above.
GO-014
~
DISCUSSIO:l
LU-008
This paper does not deal
directly with the hexahy-
drate, but rather with
the trihydrate. However
in a brief discussion of
reported intermediates
in the decomposition of
both sal ts t the authors
stated that formation of
the basic salts
Cu(NO.),.." (OH)"'38 and
Cu(NO.),.. (OH),.. had
been reported. It was
also noted that the de-
composition behavior of
the hexahydrate in air
and vacuum is quite dif-
ferent from that of the
trihydrate. No further
details were given.
A survey of the Ii tera-
ture on AgNO~ decomposi-
tion WaS prepared in 1969
~~9~: WTh;c~~~~;~~s (;~-
this survey are g1 ven
here in chronological
order.
The earliest study led
the investigation to the
followin8 conclusions:
No AgO was formed. The
nitrite decomposed ac-
cording to reaction (80).
If NO~ is not removed t
it reacts with the sample
to form AgNO. and NO.
These results indicated
that 0/3 of the nitrogen
in the original sample
went to NO~, and y 3
formed nitrate and nitric
oxide. From the informa.
tion gained in several
side experiments, it was
concluded that AgN03
fomed from Ag and NO;.
No reaction between
(cant.) (cant.)
-------
COMPOUNO
58. 4NO.
(cont.)
TRANSITIONS
~ !I2.! AH(kcal/mole) ~
DECOHPOSITION
..!.C:fL Method/Commenta
~
Reactions
~
DISCUSSION
811 ver 01 cr1 te and NO;
was detected even after
prolonsed contnct.
Samples were ~N~i) + NO. ~ 4NOt84) SC-029 Oswald. 1n contrast to
heated rapidly (Oswald) .Divers (above). found
in vacuum system. that ,NO and NO do
100 Rate:. of decem- react 84 L In a~dition.
pas! j.~on was he studied the rates of
decomposition at various
s10,,". temperatures. The solid
130 Noticeable rate products of decomposition
of decomposi- were found to be predom-
tion. inanely silver, with
200 Rapic' jecomposi- traces of 4NO.. No sU-
tion. ver nitrite was found.
I. Study carried 4NO. ~ 4 + NO. (80) SC-029 Under the first set of
out at 1950 un- (Cen- experimental conditions t
der vacuum. gas- ter- resction (80) went to
eous products szwer completion. However, 1£
remove. and the gaseous products re-
II. Decomposl- ~N~i) + NO. ~ AgNOt 84) Chedn- malned 10 contact with
aki) the sample, the overall
tion carried reaction was (82). which
out under pres- 2~~g, ~ 4 + 4N~h) is the sum of (80) and
sure. (84). Reduction of NO.
4 + NO. ~ AgNO, (85) to NO was visually ob-
served during the course
I of the decomposition.
./"
W
I Reaction (84) was in-
Dry NO. was passed 4No,,+ NO. ~ 4NO~84) vestigated. A waight
~~~~s ,,:~oi06~r 7 + NO incrcas.a corres)ondlng
to 85.1% of (84 was
observed. Attempts to
observe the reverse of
resction (84) failed.
Kinetic measure- 99.7'1: 4NO. ~ 4 + NO. (80) SC-029 The results of this stu-
ments of AgNO. NO~. ~~g. ~ 4 + 4N~~2) 031um...- dy along with those of
decomposition O. 'I: NO thal & Centnerszwer and Checin-
were made by sbJd)o- at 1 mtn. Chedn- ski (above) confirmed
ing either volume 100'1: NO aki) thet (80) occurred .!.!l
change or pres.. at 1 at:m. VACUO) while at atmos-
sure change. The pn.Frc pressure (82)
composition of occurred. A combination
the gas was ana.. of these two reactions
1yzed as a func- took place at inter-
tion of pressure. mediate pressures. They
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
COMPOUND
58. AgNO.
(cont.)
TRANSITIONS
T(.C) !I2.! 6II(kcal/mole) ~
DECOMPOSITION
..!.C:fL Method/Comments
Products
Reaetions
...!!h...
DISCUSSION
Microscopic
study of decom-
position.
SC-029
( Schaum
and
Becker)
8180 found that increas-
ing the pressure resulted
in a decreased initial
velocity, and that lower
decomposition temperaturES
occurred at lower pres-
sures. They obse~ved an
induction period 1n the
interval from 150 to 195.
C at constant pressure.
Activation energies were
measured 10 this range.
They found that the de-
composition varied
according to the method
by which the crystals
were grown.
4.
4NO. ,
NO
2AgNO. . Ag + .AgNOa
+ NO (u2)
SC-029
( Randell,
Manov,
and
Brown)
A study of the thermody-
namics of decomposition
at atmospheric pressure
according to reaction
(82) was carried out by
equilibrium vapor pres-
sure measurements. The
results confj.rmed that
tha activities of 4NO..
Ag. and AgNO, can be
taken as uni ty. The
relative amount of AgNO.
in contact with 4 +
~N~tg~ih~~~~d e~~e~~v~n
the vapor pressure of NO.
I
./"
./"
I
128
This was re-
ported .as tha
beginning of
decomposi tion
9f pura 4NO..
4.0,
NO. NO.
24NO, ~ Ag. ° + NO
+ NO. (86)
SC-029 Reaction (86) had been
(Oza) r.ropoaed by Oza as tha
'primary stage" of ni-
trite decomposition. He
attempted to detect sil-
ver oxide 1n the decom-
position products of both
pure AgNO. and a mixture
of 4NO. and As O. No
4.0 was found In either
case. He cone 1uded that
(82) wes the primary
stage. but that NO and
N°in a;~~~~:~ ;~~e~i;:~t
he was able to isolate
4 0 by dec01J1posing the
nilrite in pure ox~gen
for 4 hours at 130 C.
re~c~~~~e(8'~~r)ew:~
proposed to account for
the products found.
The sUver. oxide formed
(cont.) (cont.)
As. AgNO. 4NO.+ NO ~ 4NO.
4NO. ,NO. + NU. (87)
NO. . 4NO. + IJO. ~ AgNOI
(u8)
(cont. )
(cont.)
(cont.)(cont.)
-------
TRANSITIONS
TC'C) .~ 6HCkcal/mo1e)
DECOMPOSITION
COMPOUNU
58 . AgNO.
(cont.)
~
...!.!:£L. Method/Comments
~
Reactions
Ag.O + NO. - Ag.o.
+ NO ~89)
Ag O,NO,NO. AgNO
+' AgNO. ~90)
~.~+ NO. - AgN0h1)
..!!!L
OISCUSSION
in the priml'ry decomposi-
tion reaction was said
to rese t wi th NO to pro~
duce mainly AgNO~.
90
Decomposi tion
temperature.
SC-029
(Bo1dy-
rev &
Erosh-
~~4)
The effect of crystal
size on the rate of char...
mal decomposition was
investigated. An optimum
size was reported. The
temperature range studied
for decomposition was 70
to 105.
th~t d~~~~r~~~e~~t~h:S
rate of decomposition
between large and small
crystals was much less
thsn the difference at
low temperatures.
SC-029
(Bo1dy-
rev) &
Erosh-
kin,
1966)
The effect of additives
on AgN02 decomposition
was investigated. NiO
and Ni::! 03 were reported
to accelerate the reac-
tion; VoOa. ThOa, CdO,
and W03 had 00 effect;
AggO, CuI, and Li:aO de-
creased the rate.
I
~
VI
I
The kinetics of Ag,
t~e7IDal decompo... NO~
51 tlan were
studied under
vacuum '-lith con-
tinuous evacua-
tion. The ir-
radiated and
unirradiated
samples were
placed in a
quartz or aIu...
"minum boat.
SC-029
This investigation of the
kinetics of thermal de...
composition of AgNO.
employed both unirradla-
ted and irradiated salts.
The decomposition curves
were linear in the 15 to
45% weight loss region.
The contacting envelope
mechanism waS verified
by microscopic observa-
tion, and a kinetically
descriptive equation was
derived. Exposure to
cobalt...60 gamma radiation
had an unusual stablU.zJng
effect on the salt; a
::~~:r~S~h~:S ph~~~:~~n~O
120 Decomposes at Ag, NO.
this tempera"
ture. TCA was
used.
(cont.) (cont.) (cont.) (cont.)
SI-026
PA-013
Stern reports that the
investigation of the
decomposition of this
salt is in the prelimin-
ary stages. The kinetics
(cont.)
(cont.)
TRANSITIONS DECOMPOSITION
COMPOUND ~ I:tl!!. ~HCkcs1/mole) ~ ~ Method/Comments ~ Reactions ~ DI SUC SSION
58. AgNO. are reported to be first...
(cont.) order I and an activation
energy of - 25kJ/mole
has been reported.
128 AgNOa begins to Ag,O, 2AgNO, - Ag. ° + N~86) 02-006 Oza studied the action
decompose form- NO, snd + NO~ of NOa on AgNOa and its
ing ABaO, NO, NO. decomposition products.
and NOa. Reaction (91) is nagligi-
130 AgN01> oxidized AgNO.s . ~N~1> + NO. - AgN0h4) ble at 130°C but contri-
butes considerably at
by N , to AgNO.. Bnd NO higher temperatures.
130 and Si1 ver oxide Ag.O + NO. - AgNO~91) Reaction (86) is not con-
above resets with NO;. +Ag sidered to be the true
decomposi tion mechanism
by ttIany investigators
because no Ag;O is de-
tected in the reaction
products.
59. Agl/O. 160 S-S 0,66 RO-007 >127 Ag.O is very 2AgNO. ~ Ag.O + 2NO~ ST-026 Stern reports that the
0.609 LA-008 unstable above + '.i0. (9 ) decomposition equilibria
SI-026 this tempera" 2NO. a 2NO + O. (93) of this system is compli-
0.57 ture. cated by the thermal
0.55 AD-002 210 AgNO. me1 ts. 2AgNO. - 2Ag + 2NO~ instability of Ag.O. De-
+ 0. ( 4) composition is reported
159.4 5-5 0.561 RE-006 240-250 Decomposition Ag.O - 2Ag + !.i0. (95) to be negligible below
210 2.76 JA-013 becomes its melting point, but
SoL appreciable. becomes appreciable above
I 209.6 SoL 2.96 JA-012 it. Partial pressures
~ 210 SoL 2.98 ST-026 for AgN03 decomposition
(J\ were calculated at 298,
I 214 SoL GO-014 400, 500, 600, and 700'K.
5~7o~o~a5. ~09s:~de a~t
427'C - 1.94 atm.
~~a' 0., PA-013 Kinetic: studies showed
that there was an indue-
either tion time at lower
Ag or ~58f~)a;~r~~ ~;c;e~~~~ at
Ag.O with increasing tempera..
ture. At relatively
g;~~n~~~:r~~d~~~i~~
period, the decomposition
was first order. At
520°C, the activation
energy was reported to be
- 14 '" 2 kCel/mo1e.
In'A was used GO-014
from 50 to
744 at heating
rate of 15'C/
min. No pro-
duct anal~SiS
(cont.) (cont. (cont.) (cont.) (cont.) (cont.)
-------
TRANSITIONS DECOMPOSITION
COMPOUND !C.£l. ~ llH(kcal!mole) ~ !!:.fL Nethod/Comments ~ Reactions ~ DISCUSSION
59. AgNO. was performed.
(cont.) 214 Fusion
305 Rapid bubbling
occurred.
469 Rapid nitrous
fumes were ob-
served.
TGA was used.
444 AgN03 was report- Ag, "n1- DU-Oll This decomposition tem-
ad to be stable trous perature is 1n general
up to this tem- vapors". agreement with most other
perature J at HNO. studies (PA-013, GO-014).
which sudden vapors. However Stern reports a
evolution of much lower value.
01 trous vapors
occurred.
608 Formation of
metallic silver.
60. Zinc No evidence for the
Ni trite existence of this com-
round was found in tho
Iterature.
I 61. Zn(NO.). 100 Stable up to Zn(NO.). ;I Zno + 2No. ST-026
.po this point. + \0. (96)
" 240 Slight decom-
I pos! tion.
>240 Decomposition Zno,
becomes in- NOg, 0Il
creesingly
rapid.
62. Zn(NO.). 36.1 SoL RO-007 TGA was used to Zno None g1 ven WE-02l The gaseous decomposition
'6HgO study the decom-- product was assumed to
position of this be NOg slnce the reaction
hydrated nitrate was carried out in a
in air. The slow stream of air.
heating rate was
5.4'C/min.
40 Salt began to
dehydrate.
160 Intermediate
product, Zn(NO.).
340 Constant weight.
formation of ZnO.
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
TRANSITIONS DECOMPOSITION
COMPOUND I!:£2. ~ 6H(kcel/mole) ~ ~ Method/Comments ~ Reactions ~ DISCUSSION
62. Zn(NO.). rtrA was used to NO.. HNo. None g1 ven. GO-014
'6~0 study the beha..
(con .) vi or of this
salt from 40 to
740. A heating
rate of ISoC/min.
was employed.
42 Hydrate dissolu-
tion.
281 Slight IIn1trous
fume s II (brown
~~!drd nitric
332 Rapid IInitrous
fumes".
470 Thermal reaction
complete.
25-30 Thermal effects SH-OIS The abstract of this
120-160 were reported at paper stated that the
290-295 these tempera- thermal effects record-
- tures from a ed were due to dehydra"
TGA study. tion. fusion. or decom-
position. A comparison
of these results with
those above shows the
~i~;;t:f~~~~o~~~~:~~y is
I t&e second corresponds
.po to dehydretion (WE-02l),
00 and the third to nitrate
I ~~m)~ition (GO-014.
63. Cd (NO. ). . PR-OIO This compound slightly
contaminated with the
basic salt is reported
to decompose slowly 10
air with evolution of
nitrogen oxides and for..
mation of a water-insolu-
ble mass containing a
mixtura of basic salts.
64. Cd (NO.). TGA study from PR-OIO
'2HgO 0 to SOO'C.
44 The dihydrate HgO
melts with
pardal loss of
water.
119 Dehydration
complete Cd (NO.).
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
-------
TRANSITIONS DECONPOSITION
CO~!POUND I..L:fl ~ 6H(kcal!mole) ....!!£L.... ..1J:£L Nethod!Conments ~ Reactions ....!!£L.... DISCUSSION
64. Cd(NO,), 247 Endothermic Basic
'2H,0 effect due to salts.
(eont.) nitrite decem..
position and
fonnation of
basic salts.
328)341 Decomposition
of b3Sic snIts.
371.7 Forn:ation of CdO
final product.
65. Cd(NO,). 360 SoL 4.3 ST-026 300 Rapid decompo- CdO. NOa, 2Cd (NO,), ;! 2CdO ST-026 The decomposition 15
s1 ticn takes 0, + 4NOa+ 0; (97) reported to be reversible
place above and to yield 00 inter..
this tempera- mediates.
ture.
BA-040 The effect of 5 moleX
addition of Ni, Pb, Zn.
and Ag nitrates 00
Cd(N03); decomposition
was investigated. All
additives were reported
to have decreased the
decomposition tempera-
ture from 360°C to 335-
45° C and to have 10-
creased the rate of
I rese tion. Note that 360"C
~ was reported by Stern
\0 (ST-026) as the melting
I point.
66. Cd(NO,). 59.5 SoL 7.8 RO-007 TGA was used in None given WE-02l The gaseous produces
.41100 this investigD.- were assu:Iled to be NO:!
tion. The heat.. since the resction took
ing ratc Has 5.4°C/ place in air.
1I1in. and the
reac tion took
placc in a slaw
stream of air.
The follo"ing
temperatures
of interest were
reported:
50 Salt began to
lose water of
hydration, fol-
lowed by rapid
weight loss.
220-280 Constant weight. Cd(NO.),
> 280 Nitrogen oxides
evolved.
435 Oxide level CdO
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
TRANSITIONS DECONFOSITION
CONFOUND I..L:fl ~ ~H(kcal!mol.) ....!!£L.... ~ Hothod/Comments Products Reactions ~ DISCUSSION
66. Cd (NO. ), The method em.. None given GO-014
.4H.0 ployed in this
(cont.> study was MA.
The standard
employed w,']s
alumina and the
~~:tg~c/~i~.
Both thermograms
and visual ohser-
vations were
reported.
66 Hydrate solution.
345 Slight "nitrous"
furccs (bro"n NO, ~
379 Rapid IInitrous"
fumes.
540 Decomposition
complete.
30-50 This TGA study SH-018 The abstract of the paper
110-200 resulted in did not specifically ide".
350-80 three thermal tify the thermal effects.
effects. It stated that all effects
were due to either dehy..
dration. fusion, or de...
composition. If compared
to the results above
I (WE-02l. GO-014). it
VI appears that the first
o effect is due to fusion
I of the nitrate in its
water of crystallization
The second effect corres.
ponds to dehydration. and
the last to nitrate
decomposi tion.
67. Al(NO.), No evidence for the
existence of this com..
pound was found.
68. IJ.(NO,>, ST-026 This compound has been
prepared by vacuum sub..
limation of its adduct
:;t~ ~fi~t~ p~~d~~n~~nsed
-78°C. None of its pro-
perties have been meas-
ured as yet.
69. Al (NO, >, '911a0 150-450 Temperature alumina AB-003 ;i:~ ;:~~r:;~~e~a~~~d
range in the rea~ liNO"
tion chamber in H;O. N;Oa in this study to deter-
(cont.) which (ig'i>~~~osi- (cont.) ) mine optimal conditions
(cont.) (cont. (cont.)
-------
---
TRANSITIONS DECOMPOSITION
CmlPOUND IC.£l ~ ~H(kcal/mole) .J!!L... ~ Method/Comments ~ Reactions .J!!L... DISCUSSION
69. Al(NO.~. '91\,0 ticn occurred for n1 crogen recovery
(cont. in the presence in the form of HNO.. It
of steam. was found. chat 1n the
presence of steam, N:.0a
was formed which is easily
converted to HN03.
DTA was used. Al(NO.).' 9Ho0 DR-002 This study was undertaken
70-400 Deeh endotherm J to determine the sequence
wit 3 parts: 70-100' of phase conversions dur-
ing thermal decomposition
70-110 I. Dehydration Al(NO.). Al(NO.).' 6H.0 10 air. The dependence
to lower hydrate. .6Ho0 1 of the rates of these
110-120 II. Removal of Ho0 160-180' processes on temperature
hygroscopic was also of interest.
moisture. nAl.O.' mN.O.' pHo° ~~~e f~;~i~~ : me~~~~al
160-180 III. Decompo- 1 200-400' analysis. ~lgh tempera-
sition to basic ture X-ray diffraction,
salts. Al.O. amorph. (98) IR spectroscopy. optical
>200 Formation of a- ~~h:;:~lograPhy. and
morphous sub-
stance.
390 Completion of Al:l°a
decomposition
and formation
of oxide.
Al(NO.), .9Ho0 Al. (OH). 3Al(NOt)~'9~0 MA-042 The decomposition was
was held at a NO. ~ A13 ° >aN . halted at this tempera-
I temperature of + HNO. (8)+ 19H.~~ ture to determine the
VI 150 for 5 to composition of the stable.
..... 10 hours until (99 intermediate basic nitrma.
I evolution of
HN03 vapor
ceased.
95 First appear- Spectro- KA-022
ance of HN03 metric
vapors. analysis
<120 Melting in of gas-
its water of cous
crystallization. products
showed
120-160 Simul taneous traces
boiling of the of HNO..
melt and de-
composition of
the nitrate.
137 Naximum con...
centration
(6.78%) HNO.
vapors record-
ed at this
temperature.
308-336 Unexplained
endothermic
effect. (eont.) (cont.) (cont.) (eont.)
(cont.) (cant.)
TRANSITIONS
CONPOUND !!:£l !xE.! 6II(kcal/mole)
69. Al(NO.). '9Ho0
(cont.)
DECOMPOSITION
....!!!h...
~ Method/Comments
TGA was us ed to
study the decom-
position in air
~;~~ bf h5~Z:g,
min. The follow...
ing temperatures
of interest were
reported:
Slow loss of
water.
~
Reactions
.J!!L...
WE-021
DISCUSSION
No evidence for the
anhydrous nitrate or any
other stable intermediate
was found in this. tudy .
No analy-
sis of
gaseous
products.
None given.
50
Ho°
90
460
Weight loss
became rapid.
Oxide level.
Al.O.
70. Gallium No evidence for the
Nitti te exis tence of this com-
pound was found.
71. Ga(NO.). 40 Dehydration Ga(NO.). ST-026 Stern reported th.t this
200 Formation of Ga.O. compound was probably
oxide prepared by dehydration
of the hydrate under
vacuum at 40'C. A large
fraction of the salt was
reported to have been
I 200~c~ted to Ca.O:. at
VI
N
I 72. Indium No evidence for the
Ni tri te existence of this com-
pound was found.
73. !n(NO.). 90 Compound is ST-026 Thi. nitrate was prepared
stable at leaat at 90'C.
up to this
temperature.
74. TINO 169 S-S ST-026
186 SoL
75. TINO. 61.2 S-S 0.239 ST-026 266-340 Experimental NO 2TlNO. (c) ~ Tl.O(e) ST-026 Ve~or pressure data for
143 S-S 0.91 rente of vapori- + 2NO. (g) + '0. a) the ran~e 490-612'K are
zat on study. reporte .
210 SoL 2.1 In addition to 00)
WE-02l decomposition.
205 SoL 2.26 TINOa was found
ST-026 to vaproize a8
(Kleppa the salt.
6< Me-
Carthy)
(cont.) (cant.) (cont.) (cont.) (eont.) (cont.) (cant.) (cant.) (cont.)
-------
t
I
75.
COXPOUND
TlNo.
(oont.)
76. Germanium
Nitrite
77.
Germanium
Nitrete
78. Tin Nitrite
I
V1
U,) 79. Sn(NO.).
I
80. Pb(NO.).
TRANSITIONS
!C£l ~
75 S-S
143 s-s
91
AHCkoel/mole) ..!!L
NE-003
SOL
DECONPOSITION
~ Nethod/COtm1ents
~
TlNO. ,
~O
Reactions
..!!L
WE-02l
DISCUSSION
50
&nall amounts of
absorbed water
were 109 t.
Anhydrous form.
Nitrogen oxides
were evolved.
Incernlodlate
level of unknown
composition.
Continued weight
loss until term-
inotion of oxpor-
iment.
The study was done with
TGA in a stream of air:
The unknown species re-
ported in the 460-505.
ranga reportedly did not
correspond to e1 ther
Tl 0 or Tl, O. . Further
wel~ht loss beginning at
505 C indioates that the
intermediate is either
volatile or decomposes
lnto volatile products.
60
265
460-505
505-725
No evidence for the
existence of chis com-
pound has been found.
No evidence for the
existence of this com-
pound wee found.
No evidence for the
existence of this com-
pound has been found.
ST-026
98
Decomposition
begins.
SnO.
ST-026
No intermediate oxide-
n1 trate was found.
TGA was used
with continuous
removal of gas-
eous produc ts .
Decomposition
products wore
analyzed using
IR and UV spec-
troscopy. Cas-
eous pI' oducts
were also
analyzed.
Weight loss.
Constant weight. Pb(NO.)..
Stoiohiometry PbO,
corresponded to NO
2PbO and Pb(No.). .
300-320 Weight loss.
3~b~~~b)t Mb(N~i61) PA-Ol3 ~~W ti::s s~~~~;ei~~e;~en-
mediate formed between
320 and 450. The stoiohi.
ometry indioeted that tho
~~~~~~~ ~~: :~~~~}~.,
pointed out that the ni-
trite should be unstable
at that temperature since
it begins to decozr.poso
as low as 150. The faot
that lead Was found to
undergo some oxidation
(final produot PbO,. 7)
indicated that reaction
(102) oould havo taken
place:
Pb(NO.).+ 2NO ~ PbCNO )
+ 2NU. (102)'
Reaotion (102) would
(.ont.) (oont.)
110-230
230-300
(ooot.)
(oont.)
(oont.)
(oont.)
TRANSITIo.~S DECONPOSITION
CONPOUND !C£l !XI!.S. ~HCko.l/mole) ..!!L ~ Method/Ccnm1ents ~ Reactions ..!!L DISCUSSION
80. Pb(NO.~. 320-450 Constant weight. account for the presence
(oont. Product not of nitrite. Since pro-
identified. duct gases were removed
450-500 Waight loss. NO not the rosc tion would have
evolved. to take place in the melt.
500 Constant weight. Pb01.,.
Product iden-
tified as PbO,. 7
81. Pb(NO.). The decompo8i- Final 6Pb(NO.). ;! 2Pb(NO.). ST-026 Stern described the work
tion was studied Produc ts : .2PbO + 8NO. + ~~03a) of Neumtlnn and Sonntag
by measuring the ~~b: 0., and the original article
total pressure ~p~~~~&), .~~~~O (~. El.kt., 39, 799 (1933)J
and analyzing Intome- was not cons\Uted. In
tho solid phases. discos: + 2NO:+.oIJO. (103b) oontrest to PatU (PA-
Product gases Pb(NO.). 013) see below, Neumann
were continually .2PbO, Pb(NO.). '5PbO ;! 6PbO and Sonntag found no
removed. :~~~g~). + 2NO.+ oIJO, (1030) oxidation of lead. Their
266-359 The product was .Overall: identification of the
basic nitrate intermcdia
Pb(NO.). '2PbO. 6Pb(NO ). ~ 6PbO + which they formulated
352-462 The produc t we s + 12N&.+ 30, (103d) as 3PbO' N~ O. agrees wi th
Pb(NO.). '5PbO. or, the stoic 10metry found
415-536 The product was Pb(NO.). ;! PbO (l~~~' ~~0:!6~1 f~~ ~~~rf~~g~e-
PbO. + oIJO, composi tion. The pro-
duot 6PbO'N O. or
Pb(NO.). '5PgO, steble
I 1n the range from 352 co
V1 ~~~de~~me~l~~a~~e t~~-
./:- termedlate found by Patli
I in tho renge 320 to 450.
TGA was used Final None given. WE-02l The intermediata found
with a stream of produc t: by Wendlandt did not
air to remove PbO. have the same composition
gaseous product&. Inter- as those of Neumann and
The heating rate mediate: Sonntag. The final pro-
was 5.4°C/min. Pb(NO.). duct was PbO, in agreo-
245 Beginning of .PbO ment with Neumann but
slow weight not with PatU.
loss.
370-435 Rapid weight
loss and evolu-
tion of nitrogen
"'xides.
435 Dreak in the
thennogram.
Composition
corresponded to
PbtO(NO.)~ or
~~r~Od~it~~'
stability.
(oont.) (oont.) (oont.) (oont.) (oont.) (oont.)
-------
TRANSITIONS DECOMPOSITION
COMPOSITION ~ ~ t\H(kcal/mole) ~ ...:rcrL Nethod/Comrnents ~ Reactions ~ DISCUSSION
81. Pb(NO.~. 435-575 Rapid dccornposi-
(cont. tion.
575- Constant weight.
PbO Has the
product.
TGA was used Final None g1 ven PA-013 Pat!1 also investigated
with continuous product: the decomposition of lead
removal of gas.. PbO,.. nitrate, but he did not
cous produc ts. publish details of the
Solid products results. He did report
tvere analyzed by that the final product
lR and UV spec- ~~~i~~~i~~m~~~~ t~~~e P~~r:
troscopy.
230- ? Constant weight. dation took place. He
Composi tion not cited the work of Vratny
and Gugliorta (J. i~m'
reported. Nucl ., 25, 112"9" ( ]
No other details InWhich It was reported
reported. that significant oxide..
tion took place during
Pb(NO.). decomposition.
The results are clearly
in disagreement.
82. Bismuth No evidence for the exis-
Nitrite tence of this compound
was found.
I
V1 83. Bi(NO.). The reaction LA-024
V1 was studied on
I a thermobalance
with a heating
ratc of 5° C/min.
90 Decomposition
begins.
100-250 Rate o£ decorn..
position at a
maximum.
560 Oxide formed Bia03
84. Bi(NO.). '5Ho0 40 The nitrate HN03, LA-024 An intermediate oxynitrab!
melts in its BiONO. was reported in this s tu-
water of erys.. dy. Note that the rate
tallization; of reaction increases at
~~~:n ~~t . is 100° C for both the penta.
hydrate and the anhydrous
100 Rate of decom- nitrate (see above). The
position be- same oxide is observed as
a £ioa1 product at approx.
comes very fast imately the same tempera-
at this point. ture.
(cont.) (cont.) (cont.) (cont.) (cont.) (cont.)
TRANSITIONS DECOMPOSITION
COHPOUND ~ ~ ~H(kcal/mole) ~ ...!E£L Method/Comments ~ - Reactions ~ DISCUSSION
84. Bi(NO.).'5Ho° 180 Reaction slows
~c.ont.) down.
600 Oxide level Bi,O.
..49 Loses water of DU-011 The exact identity of
crystallization. the original substance
49-600 Slow weight was not given, but from
loss. comparison with Bi(NO.).
'5H.0 (LA-024). it
--600 Forms oxide. Bi.O, appears to be the penta-
hydrate.
85. BiONO. 190 Stable up to LA-024
this point.
500- Constant weight. Bi.O.
86. BiONO, 'Ho0 TGA was used in WE-021 No stable anhydrous
a stream of air BiONO, intermediate was
at a heating detected. Both this
rate of 54°cl hydrate and its anhydrous
minute. form reached the oxide
50 Loss of water level within 5'C of each
of hydration other in two separate
experiments (LA-024.
505 Constant waight Bi. O. WE-02l) .
reached.
87. Zirconium No evidence of the forma-
I Nitrite tion o£ this compound
V1
C1\ was found.
I
88. Zr(NO,). ST-026 This compound has been
~~eb:r~~r~gy~;o~~~~~~~d
89. ZrO(NO,). '5Ho0 TGA study at ZrO:a WE-027 No stable intermediate
haating rata of was observed.
45' C/minute.
575 Oxide formed.
90. Molybdenum
Nitrite No evidence for the
existence of this com-
pound was found.
91. Molybdenum No evidence for the
Ni trate existence of this com.
pound was found.
92. Tungsten No evidence for the
existence of this com-
Nitrite pound was fOW'ld.
-------
COMPOUND
93. Tungsten
Ni trate
94.
Hafnium
Nitrite
95.
Hafnium
Nitrate
96. Tantalum
Nitrite
97. Tantalum
Nitrate
I
V1
...a
I
TRANSITIONS
!.!:£l In!!. 6H(kcal/mole) ~
DECOMPOSITION
~ Method/C=ents
~
Reactions
~
DISCUSSION
No evidence for the
existence of this com-
pound was found.
No evidence for the
existence of this com.
pound was found.
No evidence for the
existence of this com-
pound was found.
No evidence for the
existence of this com-
pound was found.
No evidence for the
existence of this com-
pound was found.
-------
Radian Corporation
4.0
AB-003
AD-002
AD-005
AL-006
AN-008
AT-OIO
BA-040
8500 SHOALCREEK BlVD. . P. O. BOX 9948 . AUSTIN. TEXAS 7815B . TELEPHONE 512 ~ 4504.9535
Radian Corporation
8500 SHOALCREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 1B7S8 . TELEPHONE 512. 04S4.9535
BIBLIOGRAPHY
BE-036
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BO-008
Adams, M. J. and J. E. House, Jr., Trans. Ill. State
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BO-009
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52:8703d.
BO-OIO
CH-035
Anokhin, V. N., ~ al., "Thermal Decomposition of
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CH-036
DE-024
Atroshchenko, V. I., G. K. Goncharenko and S. G.
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DR-002
Bagov, 1. Kh., "Gravimetric and Thermographic Analysis
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Chern. Abstracts 69:24066b.
-58.
Berg, L. G., I. A. Borukhov and M. T. Saibova,
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~. Chern. ~ 40(7), 1386-90 (1967).
Bousquet, Jean and Michel Doumeng, "Studying the Gas
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Dehnicke, Kurt and Joachim Straehle, "Preparation and
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Decompo-
~.
-59-
-------
Radian Corporation
asoo SHOALCREEK 'alVD. . P. O. sox 99~8 . AUSTIN, TEXAS 18158 . TELEPHONE 512 .1j>4.9S3S
Radian Corporation
5SOO SHOALCREEK BLVD. . P. O. sox 99~a . AUSTIN, IEXAS 7BTSa . tELEPHONE 512. «504.9535
DU-010
DU-011
FE-003
GA-038
GL-008
GO-014
HE-014
JA-012
Duval, C., "Thermal Stability of Analytical Standards
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JA-013
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JO-015
Fermor, James H. and Arne Kjekshus, "Entropies and
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KA-013
Gastwirt, L. E. and E. F. Johnson, "The Thermal
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Matt-
KA-014
Gladushko, V. 1. and P. T. Shevchenko, "Evaporation
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Kotedr Tekhnol. Neorg. Veshchestv, Nauch Uchrezhd.
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KA-022
KA-023
Gordon, S. and C. Campbell, "Differential Thermal
Analysis of Inorganic Compounds. Nitrates and
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and Their Subgroups," Anal. Chern. ll, 1102-9 (1965).
KE-021
Hegedus, A. J., Acta Chim. Acad. Sci. Hungaricae,
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Janz, George J., D. W. James and J. Goodkin, "Heat
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KE-026
-60-
Janz, G. J. and F. J. Kelly, "Fusion and Prefusion in
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Kalinchenko, I. I. and A. I. Purtov, "Thermal
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Kalinchenko, 1. 1. and A. 1. Purtov, "Thermal
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~.
Karavaev, M. M. and I. P. Kirillov, "Thermal
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Ucheb.
Chern.
Kainz, G. and J. Mayer, "Absorption of N02 on Mn02 in
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Kelley, K. K., "Energies and Equilibria in the
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I. Chem. Eng. ~~, 297 (1963).
-61-
-------
Radian Corporation
KU-005
KU-012
LA-008
LA-Oll
LA-024
LE-005
LO-014
LO-Ol7
LU-008
LU-009
Radian Corporation
esoo SHOALCREEK BlVD. . P. O. BOX 9948 . AUSTIN, TEXAS 11758 . TELEPHONI: 512. <4S4.9S3S
B500 SHOALCREEK BlVD. . P. O. BOX 99-48 . AUSTIN, TEXAS 18158 . TELEPHONE 512 - 4S4.9S3S
Kust, R. N. and J. D. Burke, "Thermal Decomposition
in Alkali Metal Nitrate Melts," Inorg. Nuc1. Chem.
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Kus t, R. N.
Copper (II)
Solvents, "
and J. D. Burke, "Autocatalysis in the
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LU-OlO
Landolt-Bornstein, "Kalorische Zustandsgrossen,"
1(4), Springer-Verlag, Berlin, 1961.
Lazarini, Franc and Brapko S.
Decomposition of the Alkaline
Monatsh. ~. 97(5), 1318-25
Brcic, "Thermal
Earth Nitrates,"
(1966).
Lazarini, Franc and Branko S. Brcic, "Thermal
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Monatsh. ~. 100(4), 1260-5 (1969).
LU-Oll
Lee, Augustine Kwok Kwun, Kinetics and Mechanism of
the Thermal Decomposition of Molten Anhydrous Lithium
Nitrite, Dissertation, Princeton Univ., 1968.
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Nitrate," Chern, Communications, 1968 (20), 1208 (1968).
MA-042
Lowell, Philip S., g a1., "Selection of Metal
for Removing SOl! frOm Flue Gas" I&EC Process
,-
and Develop. 10(3), 384 (1~7l).
MU-012
Oxides
Design
Lumme, Paavo and Kauko Junkkarinen, "Thermogravimetric
Studies. Part IX. Thermal Stability and Kinetics of
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Bromide Anhydrate, Nitrate Trihydrate and Sulphate
Pentahydrate in Nitrogen," Suomen Kemistilehti A
41(4), 122-8 (1968).
NE-003
-62-
Lwnme, Paavo and Kauko Junkkarinen, "Thermogravimetric
Studies. Part VIII. Thermal Stability and Kinetics
~f Decomposition of Cobalt (II) Carbonate Anhydrate,
Chloride and Nitrate Hexahydrates, Bromide and Iodide
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gen," Suomen Kemistilehti A 41(4), 114-21 (1968).
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the Decomposition of Ferrous Chloride Tetrahydrate and
Sulphate ~eptahydrate and Ferric Chloride Hexahydrate,
Nitrate Nonohydrate and Sulphate Hexahydrate in Static
Air and of Ferrous Chloride Tetrahydrate in a Dynamic
Nitrogen Atmosphere," Suomen Kemistilehti A 41, 220-25
(1968).
Lumme, Paavo and M. Raivio, "Thermogravimetric Studies.
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tion of Manganese(II) Chloride Tetrahydrate, Bromide
Dihydrate and Iodide Monohydrate in Air and Nitrogen and
of Manganese(II) Nitrate Tetrahydrate and Sulfate Hernihy-
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Newns, D. M.
of Entropies
Reference to
and L. A. K. Stave ley, "The Significance
of Transition in Salts, with Special
Nitrates," Chern. Rev. 66(3) 267-78 (1966).
-63-
-------
NE-004
Radian Corporation
OZ-009
Radian Corporation
esoo SHOAlCREEK BLVD. . P. O. BOX 9'HS . AUSTIN, TEXAS 78758 . TELEPHONE 512 - "504-9535
NO-005
NY-002
OZ-002
OZ-003
OZ-004
02-005
OZ-006
02-007
8500 SHOALCREEK BLVD. . P. O. BOX 99-48 . AUSTIN, TEXAS 79758 . TELEPHONE 512. 4s.4.9535
Nede1jkovic, Lj., ~. Anorg. A11g. Chern. 357(1-2),
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PA-Ol3
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PE-015
PO-Ol2
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PR-003
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PR-OlO
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PU-002
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RE-006
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RO-007
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SA-026
-64-
Oza, T. M., and N. L. Dipa1i, I. Indian Chern. Soc.,
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.Q.i: 62110u.
]i. Acad. Sc i.
Chern. Abstracts
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69:32604r.
-65-
-------
Radian Corporation
SC-012
SC-029
SH-017
SH-018
ST-025
ST-026
TK-OOl
TR-006
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6Sro 5HOALCREEK BLVD. . P. O. sox 9948 . AUSTIN, TEXAS 7B758 . TELEPHONE 512. 454.'rS3S
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WE-02l
Schneller, J.. W., Thermal Decomposition
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Studies of
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WE-027
Shargorodskii, S. D. and 0. 1. Shor, "A Study of the
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YA-004
Shargorodskii, S. D. and O. 1. Shor, "Thermal Decompo-
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46, 645 (1969).
of Cations on the Thermal
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Properties and
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Wendlandt, Wesley W., "The Thermal Decomposition of
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Yagfarov, M. Sh., "A New Method for the Measurement
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-67-
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.
.
TECHNICAL NOTE 200-007-09
MATERIAL BALANCE CALCULATIONS FOR NOx
AQUEOUS SORPTION IN A PACKED TOWER
7 June 1971
Prepared by:
Terry B. Parsons
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
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-------
Stream A[NO(g),NOo(g),N2J
Stream B[NOo(g),NoJ
I
N
I
HoO, NaOH
REHFATER
NO(g),NOo
SCRUBBER
No, Hg ° (g)
H ° NaOH, NO, NO~
o ,
FIGURE 1
N~ ,NO(g) ,NO~g)
To Gas Analyzer
Condenser
-------
Radian Corporation
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NO and NOg in the liquid phase are obtained by measuring
nitrite and nitrate.
In Equations 1, 2, and 3 the following symbols have been
used:
The material entering and leaving the scrubber is
expressed in gram-moles of NO and NOa per minute. The number
of moles per minute was calculated from measured concentrations
and from flow rates obtained from corrected rotameter readings.
The calculations are discussed in more detail in the following
sections.
W
mass rate of flow per second
CR
coefficient of discharge, a function
of Reynold's number
Ac
annular area of the rotameter
2.0
GAS ENTERING THE SCRUBBER
g
acceleration due to gravity
The gas flow rates were measured using rotameters
calibrated with air at 77cF and 1 atm. However, nitrogen was
used as the carrier gas in the actual experiments so a correctiol
was needed for ,the molecular weight (density) difference. The
calibration was carried out at a pressure of 1 atm or 29.9 inches
mercury. The flow measurements were conducted with pressure
differences of up to 6 inches of mercury gage so that a pressure
correction was also necessary. The magnitude of the corrections
was calculated by considering Brown's* equations for mass rate
of flow of a fluid through a rotameter.
P
gas density
Vf
volume of float
Af
maximum cross sectional area of float
Pf
density of float
For an ideal gas:
[2gp(Pf - p)VfJ~ (1)
W CRAo Af(l - ~/A~)
Ii!! CRAo[2gpPfVf/AfJ~ (2)
CtAcp~ (3)
p/M
n/V
P/RT
(4a)
or
p
PM/RT
(4b)
where M is the gram molecular weight.
Substituting (4b) into (3):
* Brown, G. G., et a1., Unit Operations, p. 162, John Wiley
and Sons, New York, (1952~
W
C~Ao(PM/RT)~
(5 )
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-4-
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We wish to express the rate of flow in terms of moles rather
than mass, so (5) can be rewritten:
W/M
C~Ao(rJT)~
(6)
The factors for pressure corrections were calculated from
Equation 7.
(P/29.9)~
-
1 + (b,P/2)/29.9
(7)
where P is the pressure at which experiments were conducted and
6P is the pressure drop measured in inches of mercury.
The rotameter calibration curves were in units of standard
cubic feet per hour. The factor for conversion to gram moles
per minute, including the correction for the difference in
molecular weights of air and nitrogen, is 2.04xlO-g. It was
found that the maximum temperature correction would not exceed
.007% so a temperature correction was not applied.
Gas entered the preheater in two separate streams,
each having a slightly different flow rate. The flow rates were
converted from units of standard cubic feet per hour to total
moles per minute, so multiplication by the concentration of NO
or NOg in each stream gave the rate of flow in moles chemical
NO or NO; per minute. One entering stream contained both NO
and NO; as shown by DR and UV analysis. The other entering
stream was assumed to contain NOg only, however, the stream was
not analyzed for NO. A summary of the calculations for gas
entering the scrubber is given in Table I.
-5-
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TABLE 1
GAS ENTERING THE SCRUBBER
Flow Rates r:J in Concentrations in ppm Entering
total moles/minute NO NO~ moles NO 106 moles NO~ 108
Stream A Stream B Stream A Stream B Stream A Stream B minute x minute x
RUN ~A ~B NOA NOB NOaA N09B = NOANA+ NOBNB = N09A~A+ N09p~~
NO.
1 .2936 .2483 350 120 256 102.76 101.03
2 .3873 .3182 350 120 265 135.60 130.80
3 .4938 .3877 350 120 265 172 .80 162.00
I
a-
I
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3.0
GAS LEAVING THE CONDENSER
The two entering streams were combined in the
preheater before entering the scrubber, so the total gas flow
leaving the scrubber was just the sum of the two entering rates.
Again the concentrations were measured using IR and UV analysis.
The gas stream leaving the scrubber, however, was saturated with
water vapor which had to be removed since it interferes in the
IR analysis. The water vapor was removed in a condenser in
which some of the NO and NOg were also removed. The calculation
of moles of NO and NOg removed per minute in the condenser is
discussed in Section 5.0. The calculations for moles chemical
NO and NOg leaving the condenser per minute are summarized in
Table II.
4.0
LIQUID LEAVING THE SCRUBBER
The amount of NO and NOg leaving the scrubber in
the scrubbing liquid was calculated by multiplying liquid flow
~te in ml water per minute by the concentrations of nitrate and
nitrite measured using wet chemical methods. The liquid flow
was not varied in the three experiments. Nitrite and nitrate
are related to chemical NO and NOg as discussed in Section 1.0.
The calculations for chemical NO and NOg leaving in the
scrubber liquid are summarized in Table III.
5.0
NO AND NO~ LEAVING IN THE CONDENSATE
The amount of chemical NO and NOg leaving in the
condensate in moles per minute was calculated by multiplying
the number of ml water condensed per minute by the concentra-
tions of nitrite and nitrate in the condensate. The condensation
rate in ml HgO per minute was calculated as follows:
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TABLE II
GAS LEAVING THE CONDENSER
G Flow (tot~l moles) Concentration Material Leaving the Condenser
as m1nute (ppm)
RUN Nout = ~A+ NB moles NO x 108 = NoutNO moles NO~ x 108 = NoutNOa
NO. ....wL .1& minute minute
1 0.5419 180 97.5 97.54 52.84
2 0.7055 190 97.5 134.05 68.79
3 0.8815 210 97.5 185.12 85.95
I
00
I
TABLE III
LIQUID LEAVING SCRUBBER
Concentration
RUN W = Liquid Flow (mg/ t)
NO. (m1 H~O/minute) NO; NO:
1 710 4.00 1.70
2 710 4.15 1.80
3 710 4.58 2.05
I
'"
I
M~~eria1 Z~~r;~'mi~u~~exS~o~~bing Liquid
J!.Io- - ~1NO- J!.Io - - ~NO- C - NO; - NO; C ~O;
~ - II 3 - . 3 NO - 2NOa =
+ 3~O:
2
61.74
64.05
19.47
20.61
21.14
21. 72
60.08
62.95
70.69
23.48
23.61
70.56
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moles ~O condensed
minute
(mole~ ~O(g»). - (mole~ HoO(g»)
m1nute 1n m1nute out
moles ~O(g)
minute
p*
total moles gas ('~)
minute PN
o
-
The total pressure is assumed to be closely approximated by
PN + P~ 0' and it is assumed to be 1 atmosphere. p~ 0 is
a .~ a
the vapor pressure of water in mm of mercury at the temperature
of interest. The temperature entering the condenser was 102°F
and it was 60°F at the condenser outlet.
Substituting (9) into (8) gives:
moles ~O(g) condensed
minute
plelo
( H~O
760-plOo
HoO
peO
H~O )
760-p8(j
HoO
total moles gas
minute
.056 Nout
where Nout is the gas flow leaving the scrubber. The condensation
rate in m1 ~O/minute is obtained by multiplying by the molecular
weight of water and assuming a solution density of 19/m1. The
only experiment for which the condensate was available for chemical
analysis was Run 2. The calculations are summarized in Table IV.
-10-
(8)
(9)
(10)
(11)
-------
RUN
NO.
I
~
~
I
w = m1 H~~ Condensed
m~nute
(.056)(18)(~ t)
ou
1
2
0.5454
0.7111
3
0.8892
TABLE IV
NO AND NO~ LEAVING IN THE CONDENSER
Concentration
(mg/ t)
~~
1.5
558.0
Material Leaving in the Condensate
(moles )
minute x 108
~O; = ~ ~O; = ~ ~O = ~o; 2 NO: ~Oe = NO; ~ 3NO;
.0232
6.40
-3.19
9.61
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6.0
SUMMARY
The results of the calculations discussed in Sections
2 through 5 are summarized in Table V. The chemical NO and NOs
entering the scrubber should equal the sum of (1) chemical NO
and NOa leaving the condenser, (2) chemical NO and NOs in the
condensate, and (3) chemical NO and NOs in the scrubber liquid.
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TABLE V
MATERIAL BALANCE SUMMARY
Scrubber Liquid
Gas In 6 Gas Out of + Li;Uid Out 6 + Condensed '"
(mo1e/min x 10 ) Condenser (mole min x 10 )
Run 1 NO 102.76 97.54 + 2 1. 14 + ? 118.68
N02 101. 03 52.84 + 60.08 + ? 112.92
Run 2 NO 135.6 134.05 + 21.72 + (-3.2) 152.57
I
.... N02 130.8 68.79 + 62.95 + 9 140.74
w
I
Run 3 NO 172.8 185.12 + 23.61 + ? .. 208.73
N02 162.0 85.95 + 70.56 + ? 156.51
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TECHNICAL NOTE 200-007-11
Selected Values for Equilibrium Constants
Used in the Aqueous Equilibrium Formulation
10 September 1971
Prepared by:
T. B. Parsons
Engineer/Scientist
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL FNGINEERING
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1.0
INTRODUCTION AND BACKGROUND
2.0
ACTIVITY COEFFICIENTS
In order to analyze process performance and design
equipment for aqueous alkaline sorption processes it is
necessary to develop a mathematical description of vapor-
liquid, ionic, and liquid-solid equilibria which take place
in the process. Radian has developed a vapor-liquid-solid
formulation which calculates the equilibrium distribution
among the various gaseous, aqueous, and crystalline species
present in aqueous alkaline scrubbing processes. Part of the
data required for this formulation are the values of thermo-
dynamic equilibrium constants and activity coefficients at
varying temperatures for the reactions and species of interest.
The model was originally developed to describe limestone wet
scrubbing processes for SOa removal. In order to extend the
model to describe alkaline scrubbing processes for NO. removal,
equilibrium constants for the following reactions had to be
added:
In the equilibrium formulation presently in use,
equilibrium constants are defined in terms of activities
(fugacities) of the reactants and products. The activities
are the product of a molality and an activity coefficient.
The activity coefficients, Yi, are correlated as a function of
ionic strength. The correlation form is the equation given in
equation (4), where A and B are constants determined by the
dielectric constant of the solvent, I is the ionic strength and
Zi the ionic charge for the ith species.
log Yi
a -I~
AZ. [ 0 ~
1 l+Ba.I
1
+ b.IJ + U.I
1 1
(4)
HN03 (g) ~ HN03( t) (la)
HNO 3( t) ~ H+ + NO~ (lb)
HNOa(g) ~ HNO:a(t) (2a)
HNOa(t) ~ H+ + NO; (2b)
NO(g) t! NO ( t) (3)
The parameters ~., b., and U. are characteristic of the ionic
1 1 1
or uncharged species. For ionic species Ui is zero, and for
uncharged species Z. and b. are zero. The values for ~. and
1 1 1
bi were chosen so as to obtain a curve of log Yi vs. I that
closely agreed with those published by Garrels (GA-003), Klotz
(KL-OOl), or Davies (DA-OOl) for the different ionic species
of interest. For all uncharged aqueous species, Ui was chosen
to be 0.076 from Garrels' value for HaC03. Nitrate and hydrogen
ion activity coefficient parameters were p~eviously selected
for the limestone based process description. For the alkaline
scrubbing model, therefore, activity coefficient parameters for
NO;, HNOa(t)' and HN03(t) ~emained to be specified. The nitrate
ion parameters were used to calculate nitrite ion activity
coefficients. The value Ui = .076 was used for the uncharged
species HNO:a(t) and HN03(t)'
In addition, activity coefficients for the species HNOa(t)'
HN03(t)' NO;, NO~, and NO(t) were needed. This Technical
Note documents the selection of equilibrium constants and
activity coefficients from the literature for addition to the
aqueous ionic equilibrium formulation.
It should be pointed out that some mean ionic
activity coefficient data for alkali metal nitrites exist
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(RA-026, CH-04l) which could be correlated using an extension
of the mean salt method developed by Radian to obtain nitrite
ion activity coefficient parameters (see Technical Note 200-403-
22). In addition, Davis and deBruin (DA-012) critically
evaluated all the data published concerning HN03 and calculated
a consistent set of activity coefficients. Finally, Schmid
and Krenmayr (SC-015) have investigated the activity coefficient
of HNOa as a function of ionic strength for the equilibrium
HNOa(t) ~ Na03(t) + HaO.
The following paragraphs describe how each
equilibrium constants were selected or re-calculated
in the equilibrium model.
of the
for use
3.1
Nitric Acid Dissociation Constant
Radian has proposed further work to update the
aqueous equilibrium model and increase its accuracy by including
data such as those described above. The rather detailed process
of data analysis required (see Technical Note 200-403-22) as
well as the application of the equilibrium model to process
design are, however, beyond the scope of Contract EHSD 71-5.
Five references were consulted in selecting a value
for the dissociation constant and temperature dependence of
the constant for nitric acid. Hood and Reilly (HO-014) used
proton magnetic resonance to measure the degree of dissociation,
a, with some assumptions made concerning the proton shift of the
undissociated acid. The equilibrium constant was calculated
from determinations of a at 0, 25, and 70°C, using equation (5),
a form of the Ostwald Dilution Law. Yu is the activity coefficient
of undissociated HN03, a is the activity, and Cs is the stoichio-
metric molar HN03 concentration.
3.0
EQUILIBRIUM CONSTANTS
= aH+aNO;
K Yu
Cs(l-a)
(5)
Publications reporting experimental measurements of
the equilibrium constants of interest were found by consulting
I
the compilation of Sillen, Stability Constants of Metal-Ion
Complexes (SI-OOl). This compilation covered the literature
up to 1960 and did not include data for vapor-liquid equilibrium
constants such as those needed for reactions (la) and (2a).
Chemical Abstracts was also used to obtain these data and to
obtain information published after 1960.
Log Kyu was extrapolated to obtain K at infinite diluti01 .
Activity coefficients for 25°C had to be used to calculate
activities at 0 and 70°C. The authors found 6Ha98 for the
dissociation reaction to be -3.3 kcal/mole from a plot of log K
vs. ~. Their K values are given in Table I. The values in
parentheses resulted from calculating the proton shift for
undissociated HN03 by assuming the degree of dissociation at
50 mole % HN03 is zero. If the proton shift is obtained using
other data for a published by Krawetz (KR-012), the higher K
values (not in parentheses) result.
The literature had to be evaluated to insure that,
if possible, constants were selected which were based on (1) data
extrapolated to infinite dilution (1=0) and (2) activities
rather than molalities. Data giving the temperature dependence
of equilibrium constants were also necessary.
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K =
(YSCs r
Y C (l-a.)
u s
° °
~r(Tr) and 65r(Tr) are the enthalpy and entropy of the
dissociation reaction at the reference temperature, Tr' which
is 298.15~. Helgeson separated the variable ~;(T) into a
contribution due to electrostatic interaction, bS;(Tr)' and a
contribution due to nonelectrostatic interaction, 65~(Tr)' The
electrostatic entropy contribution was described as a function
of temperature using the Born or Bjerrum expression for the
linear relationship between the free energy of dissociation
and the dielectric constant of the solvent. The nonelectro-
static entropy contribution was described as a function of
temperature using equation (14)
a pK value greater than HN03 or HN03 should have a pK value
smaller than the indicator, which has a pK value of -3.3.
Davis and deBruin (DA-012) measured the partial
pressures of HN03 over 2-l6M solutions and calculated a set of
mean ionic and molecular activity coefficients which were
consistent with some previously published data for higher con-
centrations. He used the data of Krawetz (KR-012) and Hood and
Reilly (HO-014) for a.. Using these coefficients, the dissocia-
tion constant was calculated according to equation (11)
(11)
~~ (T) = bS~ (Tr) + JT
Tr
bCp ° (T)
n
T
dT
(14)
9
where (YSCS)9 = (Y%C%J and Y is the activity coefficient and C
the molality. The molality of stoichiometric HN03, Cs' is
defined in equation (12) where u stands for undissociated.
In equation (14) the non electrostatic contribution
to the heat capacity of dissociation bCp~(T) is defined by (15).
C s = Cu + C %
(12)
9
bCpno (T) = a. + I3T + AT
(15)
The value obtained by Davis and deBruin for K at 25°C was 18.8 %
2.3. The data for a. were edited to obtain this value and the
authors pointed out the need for more accurate data.
The coefficients a. and 13 and the factor 65~(Tr) were obtained by
least squares fits of reported data. The A coefficient was
ignored.
lIF;(T) = ~;(Tr) - Tr65;(Tr)
T
- J
Tr
°
~r (T) dT
(13)
Helgeson applied the method to many dissociation
reactions. For the case of nitric acid, he used the data of
Krawetz and Hood and Reilly as well as that of Noyes (NO-Oll)
and Young et al (YO-007). He felt it was necessary to edit
the data and exclude one of the high temperature points based
on a personal communication that the nitrate ion disproportionates
above 250°C. For the case of nitric acid ~;(Tr) and ~;(Tr)
were also obtained by a least squares fit of the data. The
value obtained by Helgeson for ~~(Tr)' -4,100 cal/mole, was
the same as that obtained by Young (YO-007), using the data
of Noyes (NO-Oll) and Krawetz (KR-012). Hood and Reilly,
-8-
Helgeson (HE-001) gave a theoretical treatment of a
method of estimation of the temperature dependence of log K for
dissociation reactions. The method is based on equation (13)
which describes the free energy of the dissociation reaction.
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however, obtained a value of -3,300 cal/mole.
concluded that more high temperature data are
determine log K(T) and 6R;(Tr).
Helgeson
required to
KA
[H+] [NO;]
[HNO a]
II
C \meas
AO ( AO- Ameas)
(17)
log K = 6.557 - 320.88 (~)- 0.01359T
(16)
In (17), C is the concentration in moles/~, AO is the
conductivity of HNOa at infinite dilution, which is the sum of
conductivities of H+ and NO;, and ~eas is the measured
conductivity. The units of KA were moles/liter. The activity
coefficients for each of the species were not taken into account.
The results are given in Table II. The authors calculated a
heat of dissociation of 4,480 cal but they did not specify the
temperature or the method of calculation.
In a compilation of ionization constants published
in the same year-as the theoretical work of Helgeson (HE-001),
Barnes, Helgeson, and Ellis (BA-050) gave equation (16) for
the temperature dependence of log K for nitric acid dissocia-
tion up to 300°C.
This equation was based on the data of Young (YO-007) and
Hood, Reilly and Redlich (HO-038). It gives a value of
log K = 1.43 at 25°C. This value was used by Radian in the
equilibrium formulation.
TABLE II
Results of Klemenc and Hayek (KL-007)
for the Dissociation Constant of HNOII
3.2
Nitrous Acid Dissociation Constant
The work of Klemenc and Hayek (KL-007), Vassian and
Eberhardt (VA-all) and Lumme and Tummavuori (LU-005, TU-007)
was reviewed in order to select an equilibrium constant for
nitrous acid dissociation.
~ K(moles/ t)
_4
O. 3.2 :I: 0.3 x 10
_4
12.5 4.6 :I: 0.4 x 10
:I: 0.6 _4
30. 6.0 x 10
Klemenc and Hayek measured the conductivities of
solutions of HIIS04 and Ba(NOII)a at 0 and l2.5°C. In order to
calculate the dissociation constant of HNOa, the nitrite
conductivity at infinite dilution was also needed. It was
determined by measuring conductivities of KNOll solutions of
varying concentrations and assuming KNOll is completely disso-
ciated. Published transport numbers of H+ and ~ were used to
calculate their conductivities at infinite dilutions. The
data were used in (17) to calculate the dissociation constant.
During investigation of complex formation between
cadmium and nitrite ions, it was necessary for Vassian and
Eberhardt (VA-Oil) to take into account the dissociation
constant for nitrous acid. They used a solution of .0226F
KNOa adjusted to ionic strength 1.0 and .07 and pH 3.25. They
measured ~NO spectrophotometrically at 358 m~ which is one of
II
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the wavelengths of maximum absorption of HNO:a (WA-015). Their
results are given in Table III. Note that these investigators
also ignored the activity coefficients of NO; and HNO:a.
TABLE IV
Nitrous Acid Dissociation Constant
of Lunune and Tununavuori (LU-005, TU-007)
TABLE III
-L K (moles/ J,)
.07 15.5 x 10-4
_4
1.0 15.9 x 10
tOC K
15 5.97 x 10-4
25 7.24 x 10- 4
7.94 -4
35 x 10
Results of Vassian and Eberhardt (VA-Oll)
at 25°C for the Dissociation Constant of HNO:a
The temperature dependence was also calculated and
is given in (19). The data are valid up to 38°C.
log K = -5.8554 X 103 (~) - 60.571 x 10-3T + 34.558
(19)
Lunune and Tununavuori (LU-005, TU-007) measured the
dissociation constant of HNO:a by performing potentiometric
titrations at 15, 20, 25 and 35°C in solutions of sodium
nitrite, nitrate, and perchlorate at varying ionic strengths.
Their values were extrapolated to zero ionic strength using
equation (18),
3.2
Vapor-Liquid Equilibrium Constant for Nitrous Acid
The only data found for the nitrous acid vapor-liquid
equilibrium were published in 1929 by Abel and Neusser (AB-006).
(-1.023)I~
pK = pKo +
1 + aI~
+ BI
(18)
The authors carefully conducted numerous equilibrium
experiments in which they measured concentrations in both the
gas phase and the aqueous phase. From the aqueous phase
measurements, they provided sufficient data for calculating the
activities of HNO:a(t)' H+, and NO;, since the dissociation
constant of HNO:a(t) is known. Since activity coefficients for
these species were unknown at the time, Abel and Neusser's
equilibrium constant was reported in concentration units.
which in effect takes into account the activity coefficients
since it is of the same form as semi-empirical correlations
of log y vs. I. The results, given in Table IV, were used
in the equilibrium model.
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The gas phase data were reported in units of
concentration of nitrogen +3, which includes both HNOa(g) and
Na03()' Therefore a correction had to be made for the amount
of Na~3( ) present. After some recalculations, it was therefore
Possiblegto determine K1 = ~O /~O ,the vapor liquid
au.) a(g)
equilibrium constant, from the data of Abel and Neusser.
nitrosylsulfuric acid formed by reaction of the absorbed +3
nitrogen with HaS04 was titrated with permanganate.
3HNO a
~
H+ + NO~ + 2NO + H20
(20)
Abel and Neusser's calculations did not take into
account activity coefficients of the species of interest or
equilibrium constants for the possible aqueous phase reactions.
In addition, they did not correct for the equilibrium concentra-
tion of Na03 in the vapor due to equation 21. Fortunately the
authors published their experimental findings in detail and it
was possible to recalculate the vapor-liquid equilibrium
constant using the Radian aqueous equilibrium model. The
aqueous equilibria of importance for the system are given in
(25) through (28).
Abel and Neusser used a solution of KNOa and HN03
under 1 atm NO which was bubbled through the closed, constant
temperature system to suppress the decomposition of nitrous
acid according to reaction (20).
[Equation (20) is simply the sum of two times (21) plus two
times (22) plus (23) plus (24)].
2HNO a ~ Na03 + H20 (21)
Na03 ~ NO + NO 2 (22)
2NOa ~ Na04 (23)
Na04 + HaO ~ HN02 + HN03 (24)
HNO 3 (.e) ~ H+ + NO~ (25)
HNO 2 (.e) ~ H+ + NO; (26)
KNO 2 (.e) ~ K+ + NO; (27)
KNO 3(.e) ~ K+ + NO~ (28)
After allowing two days for the system to reach equilibrium,
they measured (1) NO~ content in the reaction vessel using
permanganate titration and back titration with oxalic acid and
(2) the hydrogen ion concentration. The gas in equilibrium with
the aqueous phase was absorbed in concentrated sulfuric acid.
At the conclusion of the experiments nitrogen was bubbled through
the gas absorption flask to drive off the "strongly held"
dissolved NO which had a solubility of 46.9 mg/.e. The
When the aqueous model was originally programmed and
the equilibrium constants were selected some simplifications
were made (LO-007, p.80). It was anticipated that in lime-
stone wet scrubbing processes, the amounts of sodium and
potassium would not be accurately known. Further, it was
recognized that the complexes of sodium and potassium are
"relatively weak and of the same order of magnitude". Some
examples are given in Table V.
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TABLE V
Dissociation Constants (SI-001) for
Complexes of Sodium and Potassium
Reaction Log K
NaSO~ +t Na+ + SO~ -.72
KSO~ ~ K+ + SO: '-.96
NaNOs + - .4 .1
~ Na + NOs :!:
KNOs +t K+ + NO~ .23 :!: .03
Therefore, there was no provision made for calculations
involving potassium. Instead, the constants for sodium were
used and any potassium present was treated as the equivalent
amount of sodium.
The data of Abel and Neusser were recalculated in
the following manner. The measured molalities of NO;, NO~ and
K+ were input to the equilibrium model and the ionic strength
and activities of HNOa(t)' H+, and NO; were calculated. It
was assumed that KNOa is completely dissociated. The authors
conducted experiments at ionic strengths of .2, .65, .7, .95,
1.25, 1.45, 2.5 and 3.5. Only the data taken at ionic strengths
of 1.45 and below were used in Radian calculations (data from
Abel and Neusser's Tables 1 through 6). The data were taken
from columns 5, 7, 8, and 9 of the Tables. About 40 data
points were used. The results are given in Table VI,
-15-
-------
Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 7B757 . TELEPHONE 512.454.9535
TABLE VI
Results of Calculations
Using the Data of Abel and Neusser (AB-006)
in the Radian Aqueous Equilibrium Model
-16-
-------
Z9 JUN 71
'-I
I
29 JUN 71
00
I
11:11:!>2'263
502 .0.00000
C02 .0.00000
S03 -0.00000
NAZO .7.!>0000-02
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH .
1111\:!>3.7'19
S02
C02
S03
NA20
.0.00000
-0.00000
-0.00000
"'7.50000-02
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH -
N20!> -1.00000-01
HCL -0.00000
MOLAL\TY
6011/'-02
2.659-13
\.'/~7-UI
\.~'I9-01
5.636-15
5.203-03
2.366-0'1
"\.137-U2
'I.8'l0-0\
RUN 112
INPUT HOLES
CAO
H20
-0.00000
=5.57'1'18+01
H.HPERATURE
I1GO -0.00000
N203 86.380g0-02
ACTiViTY COEffiCIENT
9.93'1-01
8.3u7-U\
7.'1'17-0\
6'3'18-01
7.558-0\
\.036+00
\.036+1;10
1.036+00
6.3'18-01
1'°36+00
1.29'1
MOLECULAR WATER. 9.993'1'1-01 KGS.
IONIC STRENGTH. 2.00375-01
RES. [.N. .
-6.106S-IO
N205 -1.00000-01
HCL -0.00000
MOLALITY
6.\1'7-02
2.65,/-13
1.9'17-01
1.'1'19-01
5.636-1&
5.20'1-03
2.366-0'1
1.137-02
'1.890-0\
AQUEOUS SOLUTION EQUIll8RIA
ACTIVITY
.
5.°01-02
\.91,10-\3
1.236-01
\.095-01
S.1I37-\!;
5.3(19-03
2.'I!;0-O'l
7.215-03
!;.Ot.'I-OI
RUN 113
INPUT MOLES
CAO
H20
"'0.00000
85.57392+0\
TEMPERATURE
MGO -0.00000
1>1203 ,,5.82500-02
ACTiviTy COEFFICIENT
9.93'1-01
8.)(17-01
7.'1'17-01
6.3'18-01
7.5&8-01
1.036+00
\,U36+00
\.036+00
6.3'18-0\
\.036+00
1.29'1
MOLECULAR WATE~ . 9.992'1'1-01 KGS.
AQUEOUS SOLUTION EQUILI8RIA
ACT\V\TY
5.0al-02
1.980-13
\.236-0\
\.0'/5-0\
5.837-15
5.3'10-03
2.'150-0'1
7.2\5-03
5.065-0\
IONIC STRENGTH" 2.0039'1-0\
25.000
OEG, C
25.000
aEG, C
RES. E,N, .
-\,700-10
-------
29 '"'UN 71
I
~
\0
I
29 ,",UN 71
IPII:5",132
S02
C02
S03
NA20
-0'00000
-0'00000
-0,00000
-3,95000-02
COMPONENT
H20
H+
OH-
NOJ-
NA+
NAOH
NAN03
HN03
NOZ.-
HN02
PH -
11:11:55,0'16
S02 -0'00000
C02 -0,00000
S03 ,,0,00000
NA20 -3,95000-02
I
N
o
I
N205 -1,00000-01
HCL -0,00000
MOLAL I TY
1,26'1-01
1,2/)7-13
1,972-01
7,6'10,.02
1.'139-15
2.780-03
",952-0'1
5,5', J-03
",956-01
RUN 105
INPUT /'IOLES
CAO
H20
"0,00000
-5.56898+01
TEMPERATURE
25,000
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITY
1.050-01
9,5117-1"
1,2!:>2-01
5,775-02
1.'190-15
2,879-03
5,128-0'1
3.5,,0-03
50132-01
MCoO ..0,00000
N203 -","3000-02
ACTIVITY COEFFICIENT
9,93'1-01
8.3u7-01
7,'1'18-01
6.3!>1-01
',559-01
1,036+UO
1,036+00
1,036+00
6,351-01
1'036+00
,979
MOLECULAR WATER.. 9,97713-01 KGS,
RES, E'N, -
N205 -1,00000-01
HCL. -0.00000
COMPONENT
H20
H+
OH-
NO.1-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH -
IONIC STRENGTH. 1,99970-01
RUN 103
INPUT MOLES
CAO
H20
-0,00000
-S.561)70+01
TEMPERATURE
25,000
/'IGO -0,00000
N203 -'1,15000-02
MOLALITY
AQUEOUS SOLUTION EQUiliBRIA
1,21>'1-01
10287-13
1,972-01
7.6'10-02
1,'139-15
2,780-03
'1.952-0'1
5.513-03
'1,956-01
ACTIVITY
1,0<;0-01
9.586-1'1
1,252-01
5,775-02
1,'IY()-15
2,879-03
5,128-0'1
3,5~0-03
5,132-01
ACTIVITy COEFfiCIENT
9,93'1-01
8,307-01
7,,,,,8-C)1
6,351-01
7.559,.01
1,036+00
1,036+00
1,036+00
6,351-.(JI
1.036+00
,979
MOLECULAR WATER.. 9,971>63-01 KGS,
RES. E,N, -
IONIC STRENGTH - 1,99980-01
OEG. C
"3.505-11
OEG, C
-3.61""11
-------
03 AUG 71
11:0'3:ln.205
SO~ =0.00000
C02 =0.00000
503 =0.00000
NA20 =3.'35000-02
N205 =1.00000-01
HCL =0.00000
I
N
I-'
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 AUG 71
11:09:~8.63~
S02 =0.00000
C02 =0.00000
503 =0.00000
NA20 =9.80000-02
I
N
N
I
CO"IPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
MOLALITY
1.26~-01
1.287-13
1.97:!-01
7.641-02
1.439-15
2.781-03
~.953-04
5.574-03
1+.956-0].
RUN 102
INPUT MOloES
CAO
H20
=0.00000
=5.56827+01
TEMPERATURE
/oliGO =0.00000
N203 =3.72000-02
ACTIVITY COEFFICIENT
9.934-01
8.307-01
7.448-01
6.351-01
7.559-01
1.036+00
1.036+00
1.036+00
6.351-01
1. U36+l'U
.979
MOloECULAR WATER = 9.97585-01 KGS.
N205 =1.00000-01
HCL =0.00000
1.631
MOLALITY
2.811-02
5.791-13
1.933-01
1.094-01
1.590-14
6.703-03
1.071+-04
2.421-02
~.761-01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
1.050-01
9.585-111
1.252-01
5. 776-0:~
1.1190-15
2.880-03
5.129-01+
3.540-03
5.133-01
IONIC STRENGTH = 1.99995-01
RUN 107
INPUT MOLES
CAo
H20
=0.00000
=5.57228+01
25.000
DEG. C
AQUEOUS SOloUTION EQUILIBRIA
ACTIVITy
2.336-02
4.306-13
1.221-01
1.429-01
1.657-14
6.91+8-03
1.113-04
1.529-02
4.935-01
RES. E.N. =
-1.506-09
TEI'iPERATURE
/oliGO =0.00000
N203 =1.88000-02
ACTIVITY CnEFFICIENT
9.932-01
8.312-01
7.1+37-01
6.316-01
7.51+6-01
1.037+00
1.037+00
1. 037+00
6.316-01
1.037+00
MOloECULAR WATER = 9.99362-01 KGS.
IONIC STRENGTH = 2.05425-01
25.000
DEG. C
RES. E.N. =
2.666-11
-------
03 AUG 71
11:0'3:49.517
SO~ =0.00000
CO~ =0.00000
S03 =0.00000
NA~O =9.80000-02
I
N
c..>
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
1'102-
HN02
PH =
03 AUG 71
11:09:49.886
SO~ =0.00000
CO~ =0.00000
S03 =0.00000
NA~O =1.40000-02
N205 =1.00000-01
HCL =0.00000
1.631
MOLALI TY
2.811-02
5.791-13
1.933-01
1.89Lf-Ol
1.598-14
6.703-03
1.0H-04
2.421-02
11.761-01
RUN 106
INPUT MOLES
CAn
H2o
=0.00000
=5.57207+01
TEMPFRATURE
MGO =0.00000
N20~ =1.67000-02
ACTIVITY COEFFICIENT
9.932-01
8.312-01
7.437-(;1
6.316-01
7.5Lf6-01
1.037+00
1.0:H+OO
1.037+00
6.316-01
1.037+00
MOLECULAR wATER = 9.99324-01 KGS.
IONIC STRENGTH = 2.05432-01
",,205 =1.00000-01
HCL =0.00000
I
N
~
I
COMPONENT
H20
H+
OH-
1'103-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
MOLALITY
1.763-01
9.229-14
1.994-01
2.716-02
3.663-16
9.972-04
6.975-04
4.027-03
4.'387-01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
2.336-02
11.306-13
1.221-01
1.429-01
1.657-111
6.949-03
1.113-011
1.529-02
11.936-01
RUN 109
INPUT MOLES
CAn
H2o
=0.00000
=5.55382+01
25.000
DEG. C
RES. E.N. = --1.034-11
TEMPFRATURE
MGO =0.00000
N203 =1.81500-02
ACTIVITY COEFFICIENT
9.933-01
8.300-01
7.11115-01
6.342-01
7.556-01
1.036+00
1.036+00
1.036+00
6.3112-01
1.036+00
.8311
MOLECULAR wATER = 9.911523-01 KGS.
IONIc STRENGTH = 2.011121-01
RES. E.N. =
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
1.465-01
6.870-14
1.265-01
2.0:;2-02
3.794-16
1.033-03
7.225-04
2.5511-03
5.166-01
25.000
DEG. C
-1.1111-09
-------
03 AUG 71
11:09:50.861
502 =0.00000
C02 =0.00000
503 =0.00000
NA20 =1.40000..02
I
N
VI
I
COMPONENT
H20
H+
011-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 AUG 71
11:09:51.230
502 =0.00000
C02 =0.00000
503' =0.00000
NA20 =0.00000
COMPONENT
H20
H+
OH-
N03-
HN03
N02-
HN02
I
N
0'\
I
PH =
N205 =1.00000-01
HCL =0.00000
'~OLALITY
1.763-01
9.228-14
1.994-01
2.716-02
3.663-16
9.972-04
6.975-04
4.027-03
4.9IH-01
RUN 108
INPUT MOLES
CAn
H2o
=0.00000
=5.55364+01
TEMPERATURE
MGO =0,00000
N203 =1,63500-02
ACTIVITY COEFFICIENT
9.933-01
8.308-01
7.1145-01
6.342-01
7.556-01
1.036+00
1.036+00
1.0;%+00
6.342-01
1.036+00
.834
MOLECULAR WATER = 9.94490-01 K&S.
N205 =3.17500-01
HCL =0.00000
MOLALI TY
6.322-01
2.267-14
6.308-01
6.074-03
1.466-03
5.000-01
AQUEOUS ~OLUTION EQUILIBRIA
ACTIVIT~
1.465-01
6.870-14
1.265-01
2.052-02
3.794-16
1.033-03
7.225-011
2.554-03
5.166-01
IONIC STRENGTH = 2.01427-01
RUN 12
INPUT MOLES
CAD
H20
=0.00000
=5.59128+01
25,000
DEG. C
AQUEOUS SOLUTION EQUILIBRIA
IIC T I V IT Y
5.914-01
1.E.77-14
2.940-01
6.784-03
6.835-04
5.584-01
RES. E.N. =
-1.263-11
TEMPERATURE
MGO =0.00000
N203 =8.92500-02
ACTIVITY COEFFICIENT
9.793-01
9.354-01
7.399-01
4.662-01
1.117+00
4.662-01
1.117+00
.228
MOLECULAR WATER = 9.97101-01 KGS.
IONIC STRENGTH = 6.31507-01
25.000
DEG. C
RES. E.N. =
-4.155-12
-------
03 AUG 71
11:09:51.86ij
S02 =0.00000
CO~ =0.00000
S03 =0.00000
NA20 =0.00000
COMPONENT
H20
H+
OH~
N03-
HN03
N02-
HN02
I
f',)
-..J
I
PH =
03 AUG 71
11:09:52.177
S02 =0.00000
C02 =0.00000
SO:l =0.00000
NA20 =0.00000
COMPONENT
H20
H+
OH-
N03-
HN03
N02-
HN02
I
f',)
00
I
PH =
N205 =3.17500~01
HCL =0.00000
r~OLALI TY
6.323-01
2.~67-14
6.308-01
6.075-03
1.46b~03
5.000-01
RUN 13
INPUT MOLES
CAn
H20
=0.00000
=5.59083+01
TEMPfRA TL1RE
MGO =0.00000
N203 =8.48000-02
ACTIVITy COEFFICIENT
9.793~01
9.354~01
7.399~01
11.662-01
1.117+00
4.662~01
1.117+00
.228
MOLECULAR WATER = 9.97020-01 KGS.
IONIC STRENGTH = 6.3155B~01
RES. i:.N. =
N205 =3.17500-01
HCL =O.ouoOO
MOLAL! TY
6.323-01
2.267-14
6.308-01
6.076-03
1.466~03
5.000~01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITY
5.915-01
1.677~14
2.941-01
6.785~03
6.835~04
5.585-01
RUN 11
INPUT MOLES
CAD
H2o
=0.00000
=5.59065+01
TEMPERATURE
MGO =0.00000
N203 =8.30000-02
ACTIVITY COEFFICIENT
9.793-01
9.::I5ij-(11
7.399-01
11.661-01
1.117+00
4.661-01
1.117+00
.228
MOLECULAR WATER = 9.96987-01 KGS.
~QUEOUS ~OLUTION EQUILIBRIA
~CTIvITy
5.915~01
1.677-14
2.941-0l
6.7IJ6-03
6.035-04
5.585~01
IONIC STRENGTH = 6.31578-01
25.000
25.000
RES. L.N. =
DEG. C
-1.293-11
OEG. C
~3.ij04-12
-------
. .
03 AUG 71
11:09:52.q90
RUN 14
INPUT MOLES
TEMPERATURE
25.000
DEG. C
S02 .=0.00000
C02 =0.00000
S03 =0.00000
NA20 =0.00000
N205 =3.17500-01
HCL =0.00000
CAn
H2n
=0.00000
=5.59035+01
MGO =0.00000
N203 =8.00000-02
AQUEOUS SOLUTION EQUILIBRIA
COMPONENT
H20
H+
OH-
N03-
HN03
N02..
HN02
MOLALITY
ACTIvITy
ACTIVITY COEFFICIENT
9.793-01
9.35q-01
7.399-01
4.661-01
1.117+00
4.661-01
1.117+00
6.323-01
2.267-1Q
6.309-01
6.076-03
1.466-03
5.001-01
5.915-01
1.677-1Q
2.9Q1-01
6.766-03
6.835-011
5.585-01
I
N
\0
I
PH =
.228
MOLEcuLAR WATEP = 9.96933-01 KGS.
IONIC STRENGTH = 6.31612-01
RES. E.N. =
-6.961-12
03 AUG 71
11:09:52.803
RUN 92
INPUT MOLES
TEMPERATURE
25.000
DEG. C
SO, =0.00000
C02 =0.00000
503 =0.00000
NA20 =2.00000-01
N205 =3.50000-01
HCL =0.00000
CAD
H20
=0.00000
=5.6204Q+01
MGO =0.00000
N203 =1.48400-01
AQUEOUS SOLUTION EQUILIBRIA
I
IN
o
I
COMPONENT MOLAL ITY ACTIVITy ACTIVITY COEFFICIENT
H20 9.7811-01
H+ 2.905-01 2.028-01 9.1173-01
OH- 4.716-14 3.505-14 7.431-01
N03- 6.6Q7-Cll 3.040-01 4.574-01
NA+ 3.693-01 2.650-01 7.1.76-01
NAOH 2.225-15 2.500-15 1.124+CO
NAN03 2.655-02 3.206-02 1.12Q+OO
HN03 2.965-03 3.354-03 1.12'++00
N02- 3.108-03 1.Q22-03 4.574-01
HN02 Q.91J,2-01 5.553-01 1.12Q+OO
MOLECULAR WATER = 1.00537+00 KGS.
PH = .5Q9 IONIc STRENGTH = 6.66283-01 RES. E.N. = 3.293-11
-------
RUN 93
03 AUG 71
11:0':1:53.778
INPUT MOLES
S02 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =1.25000-01
CAn
H2o
=0.00000
=5.60':131+01
N205 =3.50000-01
HCL =0.00000
AQUEOUS ~OLUTION EQUILIBRIA
TEMPERATURE
25.000
OEG. C
MGO =0.00000
N203 =1.12150-01
COMPONENT MOLAL ITY ACTIvITy ACTIVITY COEFFICIENT
H20 ':1.780-01
H+ 11.1167-01 11.2118-01 ':1.510-01
OH- 3.1311-14 2.332-14 7.442-01
N03- 6.760-01 3.074-01 11.547-01
NA+ 2.314-01 1.661-01 7.175-01
~JAOH ':1.259-16 1.042-15 1.126+00
NIIN03 1.1:105-02 2.032-02 1.126+00
HN03 4.525-03 5.094-03 1.12&+00
N02- 2.097-03 9.533-011 4.547-01
HN02 4.969-01 5.5':14-01 1.126+00
MOLECULAR WATER = 1.00202+00 KGS.
PH = .372 IONIC STRENGTH = &.77065-01 RES. E.N. = 1.5311-09
I
W
t-'
I
RUN 94
03 AUG 71
11:09:511.59':1
INPUT MOLES
S02 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =1.25000-01
N205 =3.50000-01
HCL =0.00000
CAn
H20
=0.00000
=5.60892+01
AQUEOUS SOLUTION EQUILIBRIA
I
W
N
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
ACTlv! Ty
MOLAL! TY
11.1167-01
3.133-14
6.7'61-01
2.315-01
9.259-16
1.805-02
4.525-03
2.097-03
4.':169-01
11.248-01
2.332-111
~.074-01
1.661-01
1.0112-15
2.033-02
5.095-03
9.533-04
5.594-01
TEMPERATURE
25.000
OEG. C
MGO =0.00000
N203 =1.08250-01
ACTIVITY COEFFICIENT
':1.780-01
9.510-01
7.442-(11
4.5117-01
7.175-01
1.126+00
1.126+00
1.126+00
4.547-01
1.126+00
PH =
.372
MOLECULAR WATER = 1.00195+00 KGS.
IONIc STRENGTH = 6.77110-01
-1.3':12-11
RES. E.N. =
-------
1-
03 AUG 71
11:09:55.472
SO~ =0.00000
CO=-, =0.00000
SO~ =0.00000
NA~O =7.30000-02
I
I",J
I",J
I
COMPONENT
H20
H+
Ot!-
N03-
tJA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 AUG 71
11:09:51'..203
S02 =0.00000
C02 =0.00000
503 =0.00000
NA20 =7.30000-02
I
I",J
.p-
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAND3
HN03
N02-
HN02
PH =
N205 =3.50000-01
HCL =0.00000
MOLALITY
5.50~-01
2.532-111
6.8~1-1'1.
1.35~-01
~.377-16
1.01'.3-02
5.627-03
1.712-03
4.985-01
RUN 78
INPUT MOLES
CAn
H2n
=0.00000
=5.60051+01
TEMPERATURE
MGO =0.00000
N203 =7.61000-02
ACTIVITY COEFFICIENT
9.776-01
9.538-01
7.45U-01
11.528-01
7.175-01
1.127+00
1.127+00
1.127+00
4.528-01
1.127+00
.280
MOLECULAR WATER = 9.99493-01 KGS.
N205 =3.50000-01
HCL =0.00000
MOLAL ITY
5.504-01
2.532-14
6.8~1-01
1.354-01
~.377-16
1.063-02
5.627-03
1.712-03
4.986-01
AQUEOUS SOLUTION EQUILIBRIA
AcTIVITy
5.2~9-01
1.807-14
3.098-01
9.718-02
4.934-]6
1.198-02
6.3~3-03
7.751-0~
5.620-01
25.000
DEG. C
IONIC STRENGTH = 6.84956-01
RES. E.N. =
-4.438-12
RUN 80
INPUT MOLES
CAn
H20
=0.00000
=5.60035+01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
5.249-01
1.886-1~
3.098-01
9.7HI-02
4.934-16
1.198-02
6.3~~-03
7.751-011
5.620-01
TEMPERATURE
MGO =0.00000
N20! =7.45500-02
ACTIVITy COEFFICIENT
9.776-01
9.538-01
7.450-01
4.528-01
7.175-01
1.127+00
1.127+00
1.127+00
~.528-01
1.127+00
.280
MOLECULAR WATER = 9.99~65-01 KGS.
RES. E.N.
TONIC STRENGTH = 6.8~974001
25.000
OEG. C
=
-3.697-12
-------
03 AUG 71
11:09:56.572
502 =0.00000
C02 =0.00000
503 =0.00000
NA20 =7.30000-02
I
(.oJ
I.n
I
COMPONENT
H20
H+
011-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 AUG 71
11:09:56.847
502 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =2.30000-01
N205 =3.50000-01
HCL =0.00000
MOLALITY
5.504-01
2,532-14
6.841-01
1.354-01
4.377-16
1.063-02
5.627-03
1.712-03
4.986-01
RUN 81
INPUT MOLES
CAn
H2o
=0.00000
=5.60034+01
TEMPERATURE
25.000
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
5.249-01
1.886-14
3.098-01
9.718-02
4.934-16
1.198-02
6.344-03
7.751-04
5.620-01
MGO =0.00000
N203 =7.44000-02
ACTIVITy COEFFICIENT
9.776-01
9.536-01
7.450-01
4.528;'01
7.175-01
1.127+00
1.127+00
1.127+00
4.526-01
1.127+00
.280
MOLECULAR WATER = 9.99463-01 KGS.
RES. E.N. =
N205 =3.50000-01
HCl =0.00000
I
(.oJ
0\
I
COMPONENT
H20
H+
OH-
N03..
I'IA+
NAOH
NAN03
HN03
N02-
HN02
I)H =
MOlALI TY
2.403-01
5.868-14
6.615-01
4.250-01
3.167-15
3.276-02
2.394-03
3.854-03
4.938-01
IONIC STRENGTH = 6.84976-01
-
RUN 68
INPUT MOLES
CAn
H2o
=0.00000
=5.61430+01
TEMPERATURE
25.000
AQUEOUS SOLUTION EQUILIBRIA
ACTIvITy
2.274-01
4.359-14
3.030-01
3.050-01
3.579-15
3.680-02
2.683-03
1.765-03
5.545-01
MGO =0.00000
N203 =5.70500-02
ACTIVITY COEFFICIENT
9.786-01
9.463-01
7.428-01
4.581-01
7.177-01
1.123+00
1.123+00
1.123+00
4.581-01
1.12.1+0u
.643
MOLECULAR WATER = 1.00481+00 KGS.
RES. E.N. =.
IONIC STRENGTH = 6.63423-01
DEG. C
-2.878-13
DEG. C
-1.033-11
-------
03 AUG 71
11:09:57.822
502 =0.00000
C02 =0.00000
503 =0.00000
NA20 =2.30000-01
I
W
...,
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 AUG 71
11:09:58.099
502 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =2.30000-01
I
W
00
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
N205 =3.50000-01
HCL =O.UUUOO
MOLAL ITY
2.'103-1)1
5.866-11+
6.615-01
tI.250-01
3.107-15
3.276-02
2.39t1-05
3.854-03
4.93.8-01
RUN 66
INPUT MOLES
CAO
H20
=0.00000
=5.61428+01
TEMPICRATURE
MGO =0.00000
N203 =5.68000-02
ACTIVITy COEFFICIENT
9.786-01
9.463-01
7.'120-01
4.501-01
7.177-111
1.123+00
1.123+00
1.123+00
4.561-01
1.123+00
.643
MOLECULAR WATER = 1.00480+00 KGS.
N205 =3.50000-01
HCL =0.00000
MOLALITY
2.403-01
5.867-14
6.615-01
tI.251-01
3.166-15
3.277-0?
2.394-03
3.85'+-03
'1.938-01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
2.27t1-01
4.359-14
3.030-01
3.U50-01
3.579-15
3.680-02
2.688-03
1.765-03
5.545-01
IONIC STRENGTH = 6.63425-01
RUN 69
INPUT MOLES
CAO
H2o
=0.00000
=5.61309+01
25.000
DEG. C
AQUEOUS ~OLUTION EQUILIBRIA
ACTIvITy
2.27t1-01
4.359-14
3.030-01
3.U51-01
3.579-15
3.680-02
2.689-03
1.765-03
5.546-u1
RES. E.N. =
-1.022-12
TEMPf:RATURE
MGO =0.00000
N203 =5.2r::500-Q~'
ACTIVITY COEFFICIENT
9.706-01
9.1163-01
7.428-01
4.581-01
7.177-01
1.123+00
1.123+00
1.123+00
11.581-01
1.123+00
.643
MOLECULAR WATER = 1.00473+00 KGS.
RES. E.N.
IONIC STRENGTH = 6.63469-01
25.000
OEG. C
=
-2.509-11
-------
03 /lUG 71
11:09:58.1167
S02 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =3.07500-01
I
W
\0
I
COMPONENT
H20
H+
Of!-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 /lUG 71
11:09:59.352
S02 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =3.110000-01
N205 =3.50000-01
HCL =0.00000
MOLALITY
9.323-02
1.519-]3
6.508-01
5.673-01
1.101"'111
11.327-02
9.160-011
9.763-03
11.866-01
RUNS 87 and 88
INPUT MOLES
CAD
H2o
=0.00000
=5.62034+01
TEMPERATURE
25.000
AQUEOUS ~OLUTION EQUILIBRIA
ACTIVITy
8.797-02
1.127-13
2.994-01
4.072-01
1.235-111
4.853-02
1.027-03
4.491-03
5.450-01
MGO =o.ooono
N203 =3.99500-02
ACTIVITY COEFFICIENT
9.789-01
9.436-01
7.421-01
4.600-01
7.178-01
1.122'+00
1.122+00
1.122+00
11.600-01
1.122+00
1.056
MOLECULAR WATER = 1.00729+00 KGS.
RES. E.N. =
N205 =3.50000-01
HCL =0.00000
I
.p-
o
I
COMPONENT
H20
H+
OH-
N03-
"'1\+
NAOH
NAN03
HN03
N02-
HN02
PH =
MOLALITY
4.105-02
3.447-13
6.464-01
6.269-01
2.7(,2-14
4.74'f-02
4.004-04
2.162-02
4.742-01
IONIC STRENGTH = 6.55635-01
RUNS 97 and 98
INPUT MOLES
CAD
H2o
=0.00000
=5.62300+01
TEMPERATURE
25.000
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
3.876-02
2.558-13
2.971-01
4.500-01
3.098-14
5.322-02
4.492-04
9.937-03
5.320-01
MGO =0.00000
N203 =3.40000-02
ACTIVITY COEFFICIENT
9.789-01
9.441-01
7.422-01
4.596-01
7.177-01
1.122+00
1.122+00
1.122+00
4.596-01
1.122+00
1.412
MOLECULAR WATER = 1.00836+00 KGS.
RES. E.N. =
IONIC STRENGTH = 6.57173-01
DEG. C
-1.0118-11
OEG. C
1.3711-10
-------
03 AUG 71
11:10: 00 .173
S02 =0.00000
C02 =0.00000
S03 =0.00000
NA20 =2.78500-01
N205 =3.50000-01
HCl =0.00000
I
.r:-
COl
-------
(13 AUG 71
11:10:03.003
502 =0.00000
C02 =0.00000
503 =0.00000
/-IA20 =1.00000-01
I
.j::-
W
I
COMPONENT
H20
H+
OH-
r~03-
IIJA+
NAOH
NAN03
HN03
N02-
HN02
PH =
03 AUG 71
l1:l0:03.62~
502 =0.00000
C02 =0.00000
503 =0.00000
NA20 =1.00000-01
I
.j::-
.j::-
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
N205 =6.25000-01
HCL =0.00000
MOLAL! TY
1.033+00
9.685-15
1.214+00
1.815-01
2.296-16
1.027-02
1.650-02
1.036-03
4.985-01
RUNS 120 and 121
INPUT MOLES
CAO
H2n
=0.00000
=5.63370+01
TEMPF."RATURE
MGO =0.00000
N203 =1.06000-01
ACTIVITY COEFFICIENT
9.599-01
1.178+00
8.249-01
3.541-01
7.274-01
1.23-'+00
1.237+00
1.237+00
3.5C+l-n1
1.237+00
-.OR"
MOLECULAR WAT[R = 1.00100+00 KGS.
N205 =4.47000-01
HCL =0.00000
MOLALITY
6.066-01
1.02!::-14
0.688-01
1.8:37-01
4.272-16
1.617-02
6.~39-03
1.449-03
~.982-01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
1.217+00
7.989-15
4.298-01
1.320-01
2.839-16
2.
-------
03 AUG 71
11:10:04.64(,
S02 =0,00000
C02 =0.00000
SO;3 =0.00000
r~A20 =5.68000-01
I
.l:-
V.
I
COMPONENT
H20
H+
OH~
N03~
NA+
NAOH
NAN03
HN03
N02~
HN02
PH =
03 AUG 71
11:10:05.826
S02 =0.00000
CO, =0.00000
S03 =0.00000
NA20 =2.00000-02
I
.I:-
0'1
I
COMPONENT
H20
H+
OH-
N03-
NA+
NAOH
NAN03
HN03
N02-
HN02
PH =
N~05 =6.25000~01
HCL =0.00000
,",OLALITY
1.189-01
8.913-14
1.12b+00
1.010+00
1.175-14
9.95~-02
1.790-03
8.596-03
4.831~01
RUNS 122 and 123
INPUT MOLES
CAn
H2o
=0.00000
=5.67476+01
TEMPERATURE
MGO =0.00000
N203 =4.86000-02
ACTIVITY COEFFICIENT
9.643-01
1.138+00
8.097-01
:'1.665-01
7.246-01
1.219+(10
1.219+00
1.219+110
3.665-(1'
1.219+00
.869
MOLECULAR WATER = 1.01683+00 KGS.
N205 =5.82500-01
HCL =0.00000
~WLALITY
1.113+()0
9.401-15
1.148+00
3.653-02
4.456-17
3.605-03
1.701-02
9.551-011
5.008-01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
1.353-01
7.217-14
4.134-01
7.374-01
1.432-14
1.214-01
2.103-03
3.151-U3
5.890-01
IONIC STRENGTH = 1.13227+00
RUNS 61 and 62
INPUT MOLES
CAO
H2o
=0.00000
=5.61284+01
25.000
DEG. C
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITy
1.275+00
7.641-15
4.180-01
2.b49-02
5.448-17
4.400-03
2.079-02
3.476-04
6.123-01
RES. E.N. =
-5.555-n
TnIPE'RA TURE
MGO =0.00000
N203 =1.99500-02
ACTIVITY COEFFICIENT
9.619-01
1.146+1)0
8.127-n1
3.639-01
7.251-01
1.223+00
1.2.23+00
1.223+110
3.63')-01
1.223+00
-.10"
MOLECULAR wATER = 9.96572~01 KGS.
RES. E.N.
IONIC STRENGTH = 1.14888+00
25.000
DEG. C
=
-7.929-12
-------
Radian Corporation
asoo SHOAL CREEK BLVD. . P. O. SOX 9948 . AUSTIN, TEXAS 79757 . TElEPHONE 512. ..s.t.9S3S
Radian Corporation
esoo SHOAL CREEK BlVD. . P. O. sox 99-48 . AUSTIN, TEXAS 78757 . TELEPHONE 512 - 454-9535
The va~or phase data were reported in units of
atmospheres of N 3. The equilibrium constant for reaction (21)
was calculated from standard state thermodynamic properties at
25°C and is given in equation (29).
PHNOs
;
K25°C =
P P
N 110 3 H;O
= .6466
(29)
TABLE VII
Calculated Values of PHNOII and Kcorr from the
Date of Abel and Neusser (AB-006)
Kcorr
Pmeas PHNO; =aW~O;
Run No. PHNO;
(from AB-006) (atm) (atm)
112 .00462 .00344 .107
113 .00439 .00331 .111
105 .00316 .00253 .147
103 .00319 .00255 .146
102 .00284 .00231 .161
107 .00175 .00152 .235
106 .00189 .00163 .219
109 .00154 .00135 .276
108 .00141 .00125 .298
12 .00528 .00382 .106
13 .00590 .00417 .097
11 .00608 .00427 .095
14 .00552 .00396 .102
92 .01113 .00669 .060
93 .00721 .00486 .083
94 .00767 .00509 .079
78 .00495 .00364 .112
80 .00450 .00337 .121
81 .00506 .00370 .110
68 .00360 .00281 .143
69 .00366 .00285 .141
66 .00370 .00288 .139
87 .00268 .00220 .180
The vapor pressure of water at 25°C is 23.756 rom or .0313 atm.
Substituting in (29) gives (30)
PH OK250C
II
;
= PHNOII
P
N;03
= .0202
(30)
The total measured pressure is the sum of pressures of HNO; and
NII03 as shown in (31)
P
meas
= P HNO
II
+ 2P N °
II 3
(31)
Substituting (30) in (31)
Pmeas = PHNO +
;
gives (32).
II
2P HNOII
.0202
(32)
Equation (32) can be solved using the quadratic formula and the
measured values of P as in (33).
-.0202 +
.000408 + .1616 P
meas
4
(33)
PHNO =
II
The results ~re given in Table VII along with the corrected
value of K which was calculated using the activities in Table VI.
-47-
-48-
-------
ladian Corpc 'c ( I
B500 SHOAL CREEK BLVD. . P. O. BOX 99-i8 . AUSTIN, TEXAS 78751 . TElEPHONE 512. -454-9535
la ian ~o .oration
B500 SHOAL CREEK BLVD. . P. O. BOX '1948 . AUSTIN, TEXAS 78757 . TELEPHONE 512. 4S4.'iS3$
TABLE VII (Continued)
K
corr
Run No. P PHN02 =~~Oa
meas PHN02
(from AB-006) (atm) (atm)
88 .00272 .00223 .177
97 .00221 .00187 .207
98 .00205 .00174 .221
99 .00118 .00107 .374
124 .00921 .00584 .076
120 .00818 .00535 .083
121 .00815 .00533 .084
129 .00700 .00476 .088
130 .00702 .00477 .088
122 .00408 .00312 .137
123 .00414 .00315 .135
61 .00116 .00105 .422
62 .00120 .00108 .409
avg. Kcorr = 0.160 :I: .09
Kdiss
~Oa
a
HNO 2 (I,)
(35)
K
K = --f.Q!E =
Kdiss
a
HN02( t)
P
HN02(g)
~
a
HNO 2 ( t)
a
HN02(g)
(36)
-4-
Using the value of Kdiss,250C = 7.24 x 10 given in Section
3.2, Table IV, K is calculated to be 2.155 x 102.
3.3
Vapor-Liquid Equilibrium Constant for Nitric Acid
Vapor pressure measurements for HN03 have been
conducted by numerous workers. However, the nitric acid solu-
tions for which values of PHNO are high enough to be measurable
3
are in the concentration range 24 to 70 weight % (5. to 36.
molal). This means the back pressure of HN03 over dilute
solutions is essentially zero.
K
corr
a~O;
PHNO
2
(34)
The data of Prosek (PR-009), McKeown and Belles
(MC-035), Burdick and Freed (BU-014), Flatt and Benguerel (FL-
013), Sproesser and Taylor (SP-006) and Davis and deBruin
(DA-012) were considered. Only the data of Davis and deBruin
were applicable, since the other values were measured over
solutions of high ionic strength (1)5). Davis and deBruin
measured the molality of NO~ and PHNO' Using the equilibrium
3
model, activities of H+, NO~ and HN03(t) were calculated from
their molality data. The vapor-liquid equilibrium constant was
then calculated using the six data points taken at ionic
strengths of 6.7 and below. The results are given in Tables
VIII and IX.
The slope of a graph of ln PHNO vs. ln~~. - gave
2 tt. NO D
essentially the same value for K as the average value K = 0.160.
The vapor-liquid equilibrium constant, K = ~... I
uttN02( t)
~02(g) can be calculated from Kcorr as shown in equations
(34) through (36).
-49-
-50-
-------
Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 78757 . TELEPHONE SI2 - 454-9535
TABLE VIII
Results Obtained Using Radian's
Aqueous Equilibrium Program to Calculate
Activity of Nitric Acid
-51-
-------
29 JUN 71
I
VI
N
I
29 JUN 71
I
VI
W
I
11111:SS.'I36
S02
C02
S03
NAZO
-0.00000
-0.00000
-0.00000
-0.00000
COtlPONENT
H2o
14+
014-
N03-
MN03
PH .
II: II: S6. 109
502 .0.00000
C02 -0.00000
S03 -0.00000
NA20 110.00000
COMPONENT
H20
14+
014-
N03-
HN03
PH -
H20S .101'12'1'1.00
HCL -0.00000
INPUT MOLES
CAO
H20
-0.00000
-!;.66.,87'01
TEMPERATURE
MGO .0.00000
N203 -0.00000
MOLAl.ITY
AQUEOUS SOLUTION EQUILlijRIA
2.226+00
2012A-I~
2.22"'00
S.8'12-02
ACtiVITY
".071+00
2.297-1;
5.'130-01
R.626-02
ACTiViTY COEffiCIENT
9.231-01
1.829+00
1.079+00
2.'139-01
1.'176+00
-.610
MOLECUl.AR WATER. I.OoOOOtOO KGS.
N20!> -1.62616+00
HCL -0.00000
IONIC STHENGTH . 2.226'16+00
INPUT MOLES
CAO
H20
-0.00000
-5.7132'1'01
25.000
RES. E.N. -
TEMPERATURE
MGO -0.00000
N203 .0.00000
MOLALITY
A~UEOUS SOLUTION EQUILIBHIA
301"1+00
7.305-16
3.1'11+00
1.117 -0 I
ACTIVITY
R.672+00
..0,37-15
5.720-01
1.9~5-0.
ACTIVITY COEffiCIENT
8.880-01
2.761+00
1.'120+00
1.821-01
!.733'00
-.938
MOLECULAR WATER - 1.00000'00 KGS.
IONIC STHENGTH . 3.1~06'1+00
25.000
RES. E.N. .
aEG. C
8,82'1-11
OEG. C
-2.696-11
-------
29 JUN 71
I
\.I,
+:-
,
I
VI
VI
I
S02
C02
SOJ
NA20
29 JUN 71
II: II: &6.657
..u.UOOOO
-0.00000
"0.00000
-0.00000
COMPONENT
H20
H+
OH-
NOJ-
HN03
PH -
11:11:57.090
S02
C02
S03
NA20
-0.00000
..0.00000
-0.00000
"0.00000
COMPONENT
H20
Ii+
Oli-
N03"
liN03
PH -
N20& -1.6'117J+00
HCL -0.00000
~10LAL I TY
3.170+1]0
7.069-18
3.170+00
1.137-01
INPUT MOLES
CAO
H20
"0.00000
-5.71'180+01
Tt:MPERATURE
2S.000
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITY
8.869+00
1.013-15
50721-01
1.geO-o!
~IGO -u. oUOOO
N20J ..0.00000
ACTiviTy COEffiCIENT
8.868-UI
2.798+00
..'133+00
1.1105-01
1.7'11+00
-.9'1H
MOLECULAR WATER.. 1.00000+00 KGS.
RES. E.N. -
IONIC STRENGTH.. 3.16979+00
N20& -1.79207+00
HCL -0.00000
MOLAL I TV
3.'1&0+00
&.170-16
3.'150+00
1.339..01
INPUT MOLES
CAD
H20
-0.00000
-5.72983+01
TEMPERATURE
25.000
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITY
1.0\17+01
8.0115-16
5'-'21-01
2.'1'18-01
MGO -0.00000
N203 -o.ooogo
ACTIVITY COEffiCIENT
8.7s7-01
3.1110+00
1.56'1+UO
1.6511-01
1.82'1+UO
..1.0'10
MOLECULAR WATER - 1.00000+00 KGS.
RES. E.N. -
IONIC STRENGTH.. 3.'IS028+00
DEG. C
-2.277-10
Dt-G. C
"S.811-12
-------
29 JUIII II
I
V1
0-
I
29 JUt-! 71
I
V1
'"
I
11:11:!>7.567
S02
(02
so,)
HAlO
-0.00000
-0.00000
-0.00000
.0.00000
COHPONENT
H20
H+
OM-
NO,)-
HNO,)
PH .
II; II ; f»8 .0'1,)
S02 -0.00000
C02 -0.00000
50,) :00.00000
II/A20 -0.00000
COMPONENT
H20
H+
OH-
104°3-
HN03
PH -
N20S -2.f»5'1IJ+OO
HCL -0.00000
MOLALITY
'1.8'16+00
1.1!']-16
'1.8'16+00
2.62'1-01
INPUT HOLES
CAO
H20
-0.000°0
-5.90(,0"+01
TLMPI:.HA TUliE
MGO -0.00000
11/203 -O.UOUOO
ACTIVITY COEffiCIENT
0.18U-OI
6.037+00
2.'1'16+00
1.106-01
Z.,),)5+g0
-'.'166
HOLECULAR ~ATER - 1.00000tOO K~S.
N205 8,).58056+00
HCL -0.00000
MOLALITY
6.666+00
1.787-17
6.66"+00
f».111-01
AQUEOUS SOLUTION EQUILIBRIA
ACTIVITY
2.97.6+01
2.S37.-16
f».3"Q-OI
60128-01
IONIC STRENGTH. 'I.9'1S82+00
INPUT MOLES
CAO
H20
-0.00000
=\i.9Qq'lS+01
25.000
RES. E.N. ..
TE"PERATURE
HGO .O.OOOUO
111203 .0.00000
ACTIVITY COEf'ICIENT
7.389-0'
1,'10"+01
".'I7f»+QO
"'7"'1-02
3.2,'+00
.., .971
HOLECULAR WATER a 1.00000tOO KGS.
IONIC STRENGTH. 6.66605+00
RES. E.N, .
A~UEOUS SOLUTION EQUILIBR'A
ACTIVITY
9.357+01
7.999-17
'1.'196-01
1.6~1+00
25.000
OEG. C
-9.07'1-12
OEG. C
1,065-,0
-------
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TABLE IX
K = ~03
calc PHNO
3
7
= .156 x 10
(39)
Nitric Acid Vapor-Liquid Equilibrium
Constant Calculated from the Data of
K ~ aHNO.(J,)
P
HNO 3.(g)
Kcalc
=~
diss
5.8 x 104
(40)
Davis and deBruin (DA-012)
3.4
Vapor-Liquid Equilibrium Constant for Nitric Oxide
Calculated Measured aH~O~
P K _7
aH+ aNO; HNO 3 7 calc- PHNO x 10
(See Table VIII) (atm x 10 1 3
4.071 0.543 10.4 0.221
8.672 0.5720 29.0 0.171
8.869 0.5721 31.0 0.164
10.97 0.5721 51.0 0.123
29.26 0.5369 108.0 0.145
93.57 0.4496 386.0 0.109
7
avg Kcalc = .156 x 10
The data of Winkler (WI-029) for the Bunsen
coefficient of NO in water were used to calculate the
brium constant for reaction (41).
absorption
equili-
NO (g)
~ NO ( 1,)
(41)
The equilibrium constant is defined in equation (42) where the
activity of NO(t) is in units of moles NO/kg HaO, assuming
YNO(t) = 1, and the activity of NO(g) is in units of atmospheres
of nitric oxide.
A plot of ln a~NO- vs. ln PHNO had a slope of
7 3 3 7
.151 x 10 , while the average value of Kcalc was .156 x 10 .
K = ~O<'t)
~O(g)
(42)
The vapor liquid equilibrium constant for reaction
(la), K = aHNO /~O ,can be calculated from the
3( t) 3(g)
dissociation constant, Kdiss' and the constant in Table IX as
shown below.
Winkler's data were reported in units of cc dissolved NO per
cc water. He also reported the total measured pressure of
nitric oxide over the solution in rom Hg. The number of moles
of dissolved NO was calculated by multiplying Winkler's values
of cc NO by (1~:3 t)(~~~~t)' The results of all the calculations
are given in Table X. The data for each temperature are an
average of three measurements.
Kdiss
a~03
a
HN03( t)
26.9
(38)
-58-
-59-
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4.0
SUMMARY
TABLE X
Results of Calculation of Vapor-Liquid
Equilibrium Constant for Nitric Oxide from
the Data of Winkler (WI-029)
_3 CCH O(10-3kg) PNO(~rOmm)
CC (10 moleS) moles NO a
NO 22.4 cc a cc kg H:aO NO( .1,)
p
= moles NO = kgH:aO !!it aNO ( .1,) !!it aNO =~O (g)
TOC (g)
0.07 .00371 1.90505 .001947 .592 .00329
10.02 .00310 1. 90532 .001626 .639 .00255
20.02 .00273 1.90813 .001495 .681 .00210
30.01 .00246 1. 91292 .001289 .720 .00179
39.96 .00228 1.91946 .001188 .758 .00157
50.04 .00216 1. 92762 .001124 .799 .00141
59.94 .00214 1.93700 .001104 .838 .00132
70.05 .00215 1. 94784 .001102 .879 .00125
79.85 .00217 1. 95963 .001107 .919 .00120
This Technical Note has described the selection of
activity coefficients and equilibrium constants for use in an
aqueous equilibrium model. The activity coefficients are
correlated as a function of ionic strength. Correlation
parameters for each ion or uncharged species were chosen on
the basis of published graphs of activity coefficients as a
function of ionic strength.
Equilibrium constants were selected from numerous
different published references. In some cases the data were
recalculated to obtain constants in a consistent form. The
selected constants are listed in Table XI.
-60-
-61-
-------
Reaction
HN03(t) ~ H+ + NO;
HN03(g) ~ HN03(t)
I
0\
N
I ~ H+ + NO~
HNO a (J,)
HNOa(g) ~ HNOa(.t)
NO ( g) ~ NO ( t)
Selected Values for Equilibrium Constants
TABLE XI
Form of
Constant
K = aw-~O;
a
HN03( .t)
a
K = HN03 ( ,.)
p
HN03(g)
K = ~+aNO:
a
HNO a ( t)
K = aHNO IJ ( t)
p
HNOa(g)
K = aNO(!)
P NO ( g)
Selected Values
K250C = 26.9
log K = 6.557 . 32~.88. .01359T
4 .1
K250C = 5.80 x 10 atm
K250C = 7.24 x 10.4
3
log K = 34.558 . 5.85~4 x 10
_3
- 60.571 x 10 T
K25°C
2.155 x lOa atm-1
=
.3
K200c = 2.10 x 10
_1
atm
Reference
HE-001
DA-012
W-005
W-007
AB-006
WI-029
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BU-014
CH-04l
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BIBLIOGRAPHY
GA-003
Abel, E. and E. Neusser, "Concerning the Vapor
Pressure of Nit;rous Acid", Monatsh. fUr Chemie 54,
855-73 (1929).
HE-OOI
Barnes, H. L., H. C. Helgeson, and A. J. Ellis,
"Ionization Constants in Aqueous Solutions", in
Handbook of Physical Constants - Revised Edition,
Geol. Soc. Am. Mem. No. 97, 1966, pp. 401-13.
HO-014
Burdick, C. L. and E. S. Freed, "The Equilibrium
Between Nitric Oxide, Nitrogen Peroxide, and Aqueous
Solutions of HN03", 1. Am. Chern. Soc. 43, 518 (1921).
HO-015
Chekhunova, N. P., andP. 1. Protsenko, "Activity
Coefficients of the Nitrites of Sodium, Potassium,
and Magnesium", Ru. 1. Phys. Chern. 41 (9), 1220-21
(1967) .
HO-038
KL-OOI
Davies, Cecil W., Ion Association, Washington, D.C.,
Butterworth, 1962.
KL-007
Davis, W. Jr. and H. J. deBruin, "New Activity
Coefficients of 0-100 Percent Aqueous Nitric Acid",
1. Inorg. Nucl. Chern. 26, 1069-83 (1964).
KR-012
Flatt, R. and F. Benguerel, "Liquid-Vapor Equilibrium
of the Binary System HN03-HaO at 25°", Helv. Chim.
Acta 45, 1765-72 (1962).
LO-007
-63-
Garrels, R. M. and C. L. Christ, Solutions, Minerals,
and Equilibria, New York, Harper and Row, 1965.
Helgeson, H. R., "Thermodynamics of Complex Dissocia-
. d ..
tion in Aqueous Solut1on at Elevate Temperatures,
1. Phys. Chern. 71, 3121-36 (1967).
Hood, G. C. and C. A. Reilly, "Ionization of Strong
Electrolytes. VIII. Temperature Coefficient of
Dissociation of Strong Acids by Proton Magnetic
Resonance", 1. Chern. Phys. 32(1), 127-30 (1960).
Hogfeldt, E., "The Complex Formation between Water
and Strong Acids", Acta Chern. Scand. Q, 785-96 (1963).
Hood, G. C., C. A. Reilly, and o. Redlich, 1. Chern.
Physics 22, 2067 (1954) (cited in BA-050).
Klotz, I. M., Chemical Thermodynamics, New York,
Benjamin, 1964.
Klemenc, A., and E. Hayek, "The Dissociation Constant
of Nitrous Acid", Monatsh. fUr Chemie 53/54,407 (1929).
Krawetz, A., Thesis, University of Chicago, 1955 (cited
in HE-OOI and HO-015).
Lowell, P. S. et al., ~ Theoretical Description of the
Limestone In;ection - Wet Scrubbing Process, Vol. 1,
Final Report for NAPCA Contract No. CPA-22-69-l38,
Austin, Texas, Radian Corp., 1970.
-64-
-------
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LU-005
MC-035
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RA-026
SC-015
SI-OOl
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Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 78757 . TELEPHONE 512 - "1501-9535
Lumme, Paavo and Jouni Tummavuori, "Potentiometric
Determination of the Ionization Constant of Nitrous
Acid in Aqueous Sodium Perchlorate Solutions at 25°C",
Acta Chern. Scand. 12(3), 617-21 (1965).
W-007
McKeown, A. B. and F. E. Belles, "Nitric Acid-Nitrogen
Dioxide-Water System. Vapor Pressures and Related
Properties", Ind. Eng. Chern. 47(12), 2540-3 (1955).
VA-Oll
Noyes, A. A., Carnegie Inst. Publ. No. 63(1907)
(cited in HE-001) .
WA-015
Prosek, J., "Equilibrium between the Liquid and the
Gaseous Phase in Systems Containing Nitric Acid",
Collect. Czech. Chern. Commun. 32(7): 2397-404 (1967).
WI-029
Ray, James D. and Richard A. Ogg,
Entropy of Potassium Nitrite", ::[.
1599-1600 (1956).
Jr., "The Anomalous
Phys. Chern. 60,
YO-007
Schmid, Hermann and Peter Krenmayr, liThe Activity
Coefficient of Nitrous Acid and the Equilibrium Constant
of Dinitrogen Trioxide Formation", Monatsh. fUr Chern.
98(2),417-22 (1967).
Sillen, L. G., Stability Constants of Metal-Ion
Complexes, Section 1: Inorganic Ligands, Special
Publication No. 17, London, The Chemical Society,
Burlington House, 1964.
Sproesser, William C. and Guy B. Taylor,
Pressures of Aqueous Solutions of Nitric
Chern. Soc. 43, 1782-7 (1921).
"Vapor
Acid", .:!. Am.
-65-
Tummavuori, Jouni and Paavo Lumme, "Proto lysis of
Nitrous Acid in Aqueous Sodium Nitrate and Sodium
Nitrite Solutions at Different Temperatures", Acta
Chern. Scand. 1l(6), 2003-11 (1968).
Vassian, E. G. and W. H. Eberhardt, "The Spectrophoto-
metric Determination of the Dissociation Constant of a
Cadmium-Nitrite Complex", .:!. Phys. Chern. 62, 84-7
(1958) .
Waldorf, D. M., Reactions and
Nitrogen Oxides-Water System,
Univ. of Washington, 1962.
Equilibria in the
Ph.D. Dissertation,
Winkler, L. W., "The Solubility of Gases in Water",
Ber. 34, 1408-14 (1901).
Young, J. F., L.
The Structure of
W. J. Hamer, New
F. Maranville, and H. M~ Smith,
Electrolytic Solutions edited by
York, Wiley, 1959 (cited in HE-001).
-66-
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TECHNICAL NOTE 200-007-12
VAPOR FILM MASS TRANSFER COEFFICIENTS
FOR HNOa AND HN03 IN A PACKED TOWER
1 November 1971
Prepared by:
Philip S. Lowell
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
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1.0
INTRODUCTION
The sorption of nitrogen oxides in aqueous alkaline
sorbents is the basis of a potential NOx removal process. EPA
has performed bench scale tests of the sorption of nitrogen
oxides in their Cincinnati laboratories. In this technical note
some of the experimental data are analyzed to extract mass
transfer coefficients.
Ac
~
b,.Z
t
In support of the EPA program, Radian has made some
theoretical calculations that indicate that HNOg and HN03 are
the significant molecular species involved in the mass transfer
step. The analysis presented is based on the assumption that
mass transfer is vapor film limited. Not enough experimental
data were taken to prove or disprove this assumption. The con-
clusions must therefore be treated as tentative.
FIGURE 2-1 - DIFFERENTIAL HEIGHT OF PACKING
The number of moles,
Equation 2-1.
nx,
of HNOx (x
2 or 3) is given in
2.0
THEORY
-dnx
kxaAcP(Yx-y~)dz
(2-1)
The general mass transfer theories apply to this
problem. The major difference between standard computational
schemes and what is presented here is that the species
involved in the mass transfer process, i.e., HNOg and HN03 are
not conserved species. For example, when HNOg is removed from
the gas phase, more HNOg is formed as a result of the vapor
phase reaction among the various nitrogen oxides and water.
For our column we assume that the equilibrium partial pressure
over the liquid is zero. As a result of this assumption Equa-
tion 2-1 may be simplified.
-dnx
k.aAcPy.dz
(2-2)
A material balance may be made across a differential
height of packing, b,.Z, as shown in Figure 2-1.
The moles of HNOg or HN03 transferred must be related
to the NO and NOg removed from the gas. Radian's gas phase
equilibrium model calculates Y. when given inputs of "chemical
NO" and "chemical NOg", CNO and CNO' From the reaction of NO
g
and NOg to form HNOg and HN03 these relationships may be calculated.
-2-
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~ 0 + NO + NO~
2HNO~
(2-3a)
The quantities that can be measured experimentally
are total NO, CNO' and total N~, CNO' The quantities
~
required in making mass transfer calculations are the mole
fractions of HNO~ and HN03. Values for both of these quanti-
ties are computed. Therefore, any error in the equilibrium
constants that are used to compute YHNO and YHNO from the
~ 3
measured quantities CNO and CNO will show up as errors in kga
~
values computed from experimental data. Thus, even if the
mechanism has been correctly identified and the analytical
chemistry measurements correctly made, the computed kga values
may be incorrect in an absolute sense. Their use is justified
so long as the same equilibrium constants used in calculating
kga's are used in making mass transfer calculations with these
kga's.
H~O + 2NO~
HNO; + HN03
(2-3b)
dCNO = ~(dnHNOa - dnHN03)
(2-4a)
dCNOa = ~(dnHNOa + 3dnHN03)
(2-4b)
If Equations 2-4a and b are combined with Equation 2-2.
Equations 2-5a through 2-6b result, describing the decrease
in total chemical NO and NO; as a function of the mass trans-
fer of the molecular species HNO~ and HN03.
3.0
NUMERICAL CALCULATION SCHEME
-dCNO
~(~lYHNO - a~YHNO )dz
~ 3
(2-5a)
-dCNO
~
~(alYHNO + 3a~YHNO )dz
~ 3
(2-5b)
Equation 2-5 may be integrated to give the amount
removed in a packed column of height H.
-[CNOJout+ [CNoJin
H
~ I (alYHNO~ - a~YHN03)dz
(3-1a)
al
~O aPAc
;
(2-6a)
a;
~N03aPAc
(2-6b)
-[ cro"lout + [CNOs ln
H
~ I (alYHNOa+ 3aaYHN03)dZ
(3-lb)
Since YHNO and YHNO are complicated functions of
a 3
CNO and CNO the equations must be integrated numerically.
;
Values of al and as are assumed. The right hand
side of Equation 3-1 is numerically integrated. The error, ~,
between the removal determined experimentally, rem, and that
calculated is given in Equation 3-2.
-3-
-4-
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~1
remNO - (cin- Cout)NO
(3-2a)
Ingas = Outgas + Outliquid
(3-4)
~"
rem - (c - c )
NO" \ in out NO
"
(3-2b)
The inlet and outlet gas concentrations were
calculated as follows:
The initial values for a1 and a" will not yield the
desired values of ~1 = ~" = O. A Newton-Raphson technique was
used. This requires a knowledge of the derivatives of Equa-
tion 3-2.
In
avg
Ingas + Out + Outl' .d
- gas ~qu~
2
(3- 5)
Out = In - Outl' .d
avg gas avg ~qu~
(3-6)
H
.2.h. 1: r d
oa1 2 . YHNO z
~ "
H
lli -~ J YHN03dz
oa"
H
.2..k ~ J YHNO" dz
00.1
H
.2..k ~
0/" ~ YHNO dz
oa2 3
(3-3a)
This procedure maximized the accuracy of the
difference between composition of gasin and gasout by making it
equal to the accurately known liquid measurement. The original
material balances are given in Table 3-1. The corrected gas
compositions are given in Table 3-2.
(3-3b)
4.0
RESULTS
(3-3c)
(3-3d)
Values of k a's for HNO"
g
from the equations given in Sections
Table 3-1. The results are given in
and HN03 were calculated
2 and 3 and the data in
Table 4-1.
The experimental data
T.N. 200-007-09. The data were
account for the amount removed.
used were those reported in
recalculated to more accurately
The actual amount of NOx
with liquid phase chemical
The three points in Table 4-1 are plotted on log-log
paper in Figure 4-1 for HNO" and Figure 4-2 for HN03. A slope of
0.8 was arbitrarily chosen for the vapor rate dependence. Since
the data were all at one liquid rate, no correlation could be made.
The liquid rate dependence was assumed to be 0.39 as reported by
Brown* for NHa. The following correlation is suggested for use
within the constraints discussed above.
After the correct values of 0.1 and a." have been chosen, the
kga's may be calculated from Equation 2-6.
removed was accurately measured
analyses. This is shown below.
*
Brown, G. G., Unit Operations, p. 530, John Wiley &
Sons, New York, (1950).
-5-
-6-
-------
TABLE 3-1
MATERIAL BALANCE SUMMARY
from TN 200-007-09
Scrubber Liquid
Gas In 6 Gas Out of + Li;Uid Out 6 + Condensed
(mo1e/min x 10 ) Condenser (mole min x 10 )
Run 1 NO 102.76 97.54 + 2 1. 14 + ? 118.68
N02 101. 03 52.84 + 60.08 + ? 112.92
Run 2 NO 135.6 134.05 + 21.72 + (-3.2) 152.57
I N02 130.8 68.79 + 62.95 ... 9 140.74
-..j
I
Run 3 NO 172.8 185.12 + 23.61 + ? - 208.73
N02 162.0 85.95 + 70.56 + ? 156.51
TABLE 3-2
CORRECTED MATERIAL BALANCE
Gas In Gas Out
(mo1e/min x 106) (mo1e/min x 106)
Run 1 NO 110. 72 89.58
I
00 NOe 106.97 46.89
I
Run 2 NO 144.10 122.38
NOe 135.75 72.80
Run 3 NO 190.75 167.14
NOe 159.25 88.69
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TABLE 4-1
RESULTS OF MASS TRANSFER COEFFICIENT CALCULATIONS
Vapor Flow Rate Liquid Rate KgSHN02 KgBHN03
Run [normal W] ~~:J [ ~m mole J [ ~m mole]
No. hour (hr) cm3 )(stm) (hr) cm3 )(stm)
1 0.728 710 0.277 0.972
2 0.948 710 0.275 0.962
3 1.18 710 0.302 1.22
-9-
-------
I
....
o
I
I
....
....
I
KgaHNO& [gm-moles!(HrXcm3)(atm)]
o
o
o
o
o
o
o
o
o
"J
t-I
C')
~
.p-
I
....
o
.p-
. ~ , ,. i : J !,.
i. . -I ~. J . :;
. j-'
o
VI
~ t-<
'- 0
if
......
J
,-
; 1-J- .
, .
, I I ""-T..-
K,aHNO Lgm-moles!(hr)(cm3)(atm)]
g 3
o
VI
o
C7'
o
00
....
b
o
o ~
....
.p-
0
VI
0
0\
;4 0
~
C') !
~
t>:I
.p- .......
Z 0 --
I 0
N a \0
II> I""'
""0
a
..
'-
::r-
t1
......
....
~
o
o
\D
....
....
'1;11
\,0)
o
N
b
-------
Radian Corporation
BSOO SHOAL CREEK BlVD. . P. Q. BOX 9'HB . AUSTIN, TEXAS 7'J757 . TELEPHONE 512.454.9535
Radian Corporation
kg~o"
(V)" '8(L)O .39
0.795 A A
c c
6.0 NOMENCLATURE
a
Ac
CNO' CNO
:!
H
k
L
n
p
rem
V
y
y*
~Z
Subscripts
x
1
2
(4-la)
kgaHN03
IV'I" '8(L)O .39
2.96\At A
c c
(4-lb)
5.0
CONCLUSIONS
A mechanism has been proposed to explain mass
transfer of NO and NO" from flue gases into aqueous alkaline
solutions. It is based on gas film limited transfer of HNO"
and HN03. Mass transfer coefficients have been calculated on
the basis of this mechanism. These ar~ given in Equations 4-1.
These equations and this mechanism must be considered
as being tentative. The ratio of kgaHNO /kg~NO is 0.27 and
" 3
not 1.04 as predicted by film theory. This might be due to in-
accurate equilibrium constants used in calculating YHNO or
. "
YHN03' Not enough experimental data nor a large enough range
of data were used in the correlation to give too much confidence
in the results. On the other hand, these are the only data
applicable to testing this specific hypothesis.
-12-
-I
8SOO SHOAL CREEK BlVD. . P. O. BOX 99<48 . AUSTIN, TEXAS 78757 . TELEPHONE 512. 4s-t.95J5
surface area of packing per volume of
column (cm"/cm3)
crossectional area of column (em")
chemical NO, chemical NO" (gmoles/min)
height of column (em)
mass transfer coefficient (gmoles/hr em" atm)
liquid rate (cm3/min)
number of moles per hour
total pressure (atm)
measured amount of HNO~ or HN03 removal
(gmoles/hr)
vapor rate (normal M3/hr)
mole fraction in bulk gas
mole fraction in gas in equilibrium with
liquid
differential height of packing (em)
x = 2 for HNO", x = 3 for HN03
HNO"
HN03
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Radian Corporation
Greek
~
8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 78757 . TELEPHONE 512.454.9535
difference between measured and cal-
culated amount of HN02 or HN03
removed (gmoles/hr)
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TECHNICAL NOTE 200-007-14
RESULTS OF LITERATURE SEARCH
ON AQUEOUS SORPTION OF
NITROGEN OXIDES
1 November 1971
Prepared by:
Terry B. Parsons
Engineer/Scientist
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
-------
Radian Corporation
BSOO SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 7B757 . TELEPHONE SI2 - 4S4-9SJ5
Radian Corporation
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The object of the early data collection task was to
define the problem by surveying all available literature on
aqueous sorption of nitrogen oxides and associated subjects.
There were four sources for acquisition of pertinent literature.
A file of abstracts from the four sources described
above was assembled. As the program continued and new avenues
of interest became evident, more literature was added to the
data base. The abstracts were read and filed in the categories
discussed below. A few references are listed in more than one
category.
The first source was the bibliography in the final
report, "Systems Study of Nitrogen Oxide Control Methods for
Stationary Sources" prepared for NAPCA under Contract No.
PH 22-68-55. Section 5.5.1 dealt with aqueous absorption of
NOx and the bibliography for that section gave thirteen perti-
nent references from which several other references of interest
were found. In addition, the supplementary bibliography of
750 references was searched and nearly 100 titles were selected
as applicable.
1.
Mechanism of Absorption of Nitrogen Oxides by Aqueous
Solutions and Chemistry of NO,-HaO Systems
The second source of information was the Air Pollution
Technical Information Center. NAPCA Publication AP-12, Nitrogen
Oxides: An Annotated Bibliography was used. In addition the
output from an APTIC computer search for information on nitrogen
oxides and absorption was furnished by Tom Kitt1eman. About
fifty abstracts of articles of interest were found. Some were
duplicates of those from the first literature source.
The literature concerning NOx-HaO system chemistry and
the mechanism of the reactions involved was reviewed in detail.
It was used in preparing the problem definition for aqueous
sorption (see Technical Note 200-007-01). Much of this litera-
ture is discussed in the review in Technical Note 200-007-02.
Many interesting but not directly applicable references were
not mentioned in the technical notes, although some were con-
sidered in detail. They are listed in part 1 of the supplementary
bibliography at the end of this note.
Descriptions of and Operating Data for Aqueous SorPtion
Processes
2.
The third source of information was the technical
files at Radian. Some twenty references of interest were avail-
able through this source.
The abstracts in this category
in detail. They are listed in part 2 of
bibliography.
were not investigated
the supplementary
The fourth source of information was Chemical Abstracts.
Cumulative indices from 1947 to 1966 were used as well as semi-
annual indices for the period from 1967 to June, 1969. The
biweekly issues from June, 1969, until October, 1970, were
searched using the keyword index at the end of each issue.
Abstracts which seemed useful were copied.
3.
NO~-NO-H~O Gas Phase Reactions and Kinetics Studies
References on homogeneous reaction equilibria in the
gas phase were used in the problem definition for a computer
-2-
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Radian Corporation
QSOO SHOAL CREEK BlVD. . P. O. BOX 9948 . AUSTIN, TEXAS 78757 . TELEPHONE 512.454-95]5
Radian Corporation
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program which calculates gas phase compositions in the
NO-NOa-HaO system. Additional references were used to verify
resulting calculated equilibrium compositions. These are
discussed in Technical Note 200-007-03a. Other references,
including kinetic studies of both vapor phase and aqueous
phase reactions have not been mentioned previously. These,
and some of the ones used in the problem definition, are listed
in part 3 of the supplemental bibliography.
5.
Measured and Estimated Standard State Thermodvnamic
Properties of Solid Nitrates, Nitrites, Nitrides,
and Hydroxides
These data are discussed in detail in Technical Note
200-007-04a and Technical Note 200-007-3a.
Thermal Analysis and Decomposition of Solid Nitrates
and Nitrites
6.
4.
Physical Properties
Gaseous, Solid, and
Oxides or Oxyacids
and Thermodvnamic Properties of
Aqueous Systems Containing Nitrogen
These references are given detailed consideration
in Technical Note 200-007-06.
This is a large, general category in which many
abstracts were found. Some were useful for contract EHSD 71-5.
Others were not pertinent then, but will be very useful for
later work. Some of the abstracts in this category were further
separated into more specific categories. These categories
were:
Thermodynamics of Electrolyte Solutions
Solubility Data for Hydroxides, Nitrates
and Nitrites
Complex or Ion-Pair Formation Involving
Nitrites, Nitrates, or Hydroxides
Activity Coefficients and Equilibrium
Constants.
These references are listed in part 4 of the supplemental
bibliography.
-3-
-4-
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1.0
NOx-HaO System Chemistry, Absorption Mechanism,
and General Interest
1.
Anbar, Michael and Henry Taube, "Oxygen Tracer Experiments
on the Reaction of NOa with Water", 1. Am. Chern. Soc. fl,
2993-4 (1955).
2.
Auchapt, Jacqueline M., "Properties and Recent Applications
of Nitrogen Oxides, NO and NOa" (literature survey from
1950 to 1968), Commis. Energ. At., Servo Doc. Ser.
"Bibliogr. ", CEA-BIB-172, 70 p;- (1969). - , -
3.
and Jack Sutton, "Flash
of Azide and Nitrate Ions",
Barat, Francois, Bernard Hickel
Photolysis of Aqueous Solutions
Chern. Commun. 1, 125-6 (1969).
4.
Barat, Francois, L. Gilles, Bernard Hickel, and Jack
Sutton, "Flash Photolysis of the Nitrate Ion in Aqueous
Solution: Excitation at 200 nm", 1. Chern. Soc. ~ 11,
1982-6 (1970).
5.
Bartha, Lajos and Zolt~n G. Szab~
,
Dinitrogen Tetroxide", Magyar K~.
(1957) .
"Hydrolysis of
I
Folyoirat 62, 294-6
6.
Bunton, C. A. and G. Stedman, "Ab,sorption Spectra of Nitrous
Acid in Aqueous Perchloric Acid", 1. Chern. Soc., 2440-4 (1958).
7.
Bunton, C. A., "Exchange of Oxygen Between Nitric Acid
and Water, and Its Relation to the Phenomena of Nitration
and Nitrosation", MJm. Services Chim. ~tat 38 417-25
---'
(1953).
-5-
Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 99<18 . AUSTIN, TEXAS 78757 . TELEPHONE 512. "S<4-9535
8.
Bunton, C. A., D. R. Llewellyn, and G. Stedman, "Oxygen
Exchange Between Nitrous Acid and Water", 1. Chern. Soc.,
568-573 (1959).
9.
Bursa, Stanislaw and Jerzy Strasfko, "Preliminary Study
of the Preparation of Chlorine and Ammonium and Sodium
Nitrates from Ammonium and Sodium Chlorides and Nitric
Acid", Przemysl Chern. 38, 225-31 (1959).
10.
C1usius, Klaus and Max Vecchi, "Reactions with Nitrogen16.
VII. Proof of the Nitrate Ion in Liquid Nitrogen Tetroxide",
Helv. Chim. Acta 36, 930-3 (1953).
11.
Daniels, Malcolm and Eric E. Wigg, "Radiation Chemistry
of the Aqueous Nitrate System. I. y-Radiolysis of Dilute
Solutions", 1. Phys. Chern. 71(4), 1024-33 (1967).
12.
Daniels, Malcolm, R. V. Meyers, and E. V. Belardo, "Photo-
chemistry of the Aqueous Nitrate System. I. Excitation in
the 300-mlJ band", 1. Phys. Chern. 11(2), 389-99 (1968).
13.
Ershov, B. G., A. K. Pikaev, G. G. Ryabch1kova, and V. I.
Spitsyn, "Mechanism for the Radiolysis of Dilute Aqueous
Solutions of Nitrates", Dok1. Akad. Nauk SSSR 159(6),
1357-60 (1964).
14.
Franck, H. Heinrich and Wolfgang Schirmer, "Investigation
of the Kinetics of the Oxidation of Nitrogen Tetroxide to
Nitric Acid", 1;. Elektrochem. 54, 254-63 (1950).
15.
K. Ingold, and D. J. Millen, "The
One-Electron Transfer", Nature
Goulden, J. D. S., C.
Ion Na03+: Binding by
165, 565 (1950).
-6-
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Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 99<48 . AUSTIN, TEXAS 78757 . TELEPHONE 512. -454.953$
16.
Goulden, J. D. S. and D. J. Millen, "VI. Raman-Spectral
Evidence of the Ionization of Dinitrogen Tetroxide in
Nitric Acid - Nitrosonium Ion, NO+, and Nitrosonium-Nitrogen
Dioxide Ion, NaO/", 1. Chem. Soc., 2620-7 (1950).
17.
Graetzel, M., S. Taniguchi, and A. Henglein, "Pulse
Radiolytic Study of NO-Oxidation and of the Equilibrium
Na03 Yields NO Plus NOa and Its Reverse in Aqueous Solution",
Ber. Bunsenges. Physik. Chern. 74(5), 488-492 (1970).
18.
Gray, P. and A. D. Yoffe, "IX. The Reactions of Dinitrogen
Tetroxide", Chern. Rev. 22., 1069 (1955).
19.
Hughes, Martin N. and H. G. Nicklin, "Action of Dinitrogen
Tetroxide on Sodium Hyponitrite", Chern. Commun. 1,80 (1969).
20.
Klemenc, Alfons, "Nitric Acid.
Chern. 28, 100-9 (1955).
XI.", ~. anorg. allgem.
21.
Lang, Francois Michel, Therese Magdalena, and Jean Claude
Montaigne, "Mechanism of the Formation of Nitrous Acid.
from Nitric Acid and Nitrogen Dioxide", Compt. rend. 237,
714-15 (1953).
22.
Lang, F. M., G. Aunis, and G. Cochin, "The Speed of
Evolution of Nitrous Acid from Aqueous Solutions. I.
Evolution with Air", Bull. 2.££. chim. France, 135-8 (1951).
23.
Lang, F. M., G. Aunis, and G. Cochin, "The Speed of Evolu-
tion of Nitrous Acid from Aqueous Solutions. II. Evolution
in Different Gaseous Atmospheres", Bull. 2.££. chim. France,
398-401 (1951).
-7-
Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 99<48 . AUSTIN, TEXAS 78757 . TELEPHONE 512. <45-4-9535
24.
Lang, F. M. and G. Aunis, "The Rate of Evolution of Nitrous
Acid in Aqueous Solution. III. Evolution in a Hermetically
Sealed Vessel", Bull. soc. chim. France, 481-2 (1952).
25.
Lunge, G. and E. Berl, "Nitrogen Oxides and the Lead Chamber
Process. II. Behavior of a Mixture of Gases, Presumably
NO + NOa, in Concentrated Sulfuric Acid and Sodium Hydroxide
1/5 N", ~. Angew. Chern. 19(19), 857-869 (1906).
26.
Lynn, Scott, D. M. Mason, and W. H. Corcoran, "Ionization
in Solutions of Nitrogen Dioxide in Nitric Acid from Optical-
Absorbance Measurements", 1. Phys. Chern. ~, 238-40 (1955).
27.
Millen, D. J., "III. Raman-Spectral Evidence of the
Ionization of Dinitrogen Trioxide, Dinitrogen Tetroxide,
and Dinitrogen Pentoxide by Sulfuric Acid", ,:!. Chern. Soc.,
2600-6 (1950).
28.
Millen, D. J. and D. Watson, "The Ionization of Dinitrogen
Tetroxide in Nitric Acid. Evidence from Measurements of
Infrared Spectra and Magnetic Susceptibilities", ,:!. Chern.
Soc., 1369-72 (1957).
29.
Pan, L. C., "Sodium Nitrate", Kirk-Othmer Encycl. Chern.
Technol., 2nd Ed. 18, 486-98 (1969).
30.
Pan, L. C., "Sodium Nitrite", Kirk-Othmer EnCycl. Chern.
Technol., 2nd Ed. 18, 498-502 (1969).
31.
Schmid, Hermann and Peter Krenmayr, "Determination of the
Nitrous Acid Equilibrium by a Chemical Method by using
Nitrite Acidium Ion", Monatsh. Chern. 98(2), 423-30 (1967).
32.
Seddos, W. A. and H. C. Sutton, "Radiation Chemistry of
Nitric Oxide Solutions", Trans. Faraday Soc. 59(490), 2323-33
(1963).
-8-
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Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 99~8 . AUSTIN, TEXAS 78757 . TELEPHONE 512. 4~.9S35
33.
See1, F., "The Kinetics of Nitrous Acid. I", ~. E1ektrochem.
60, 741-5 (1956).
34.
Stern, Marvin J., Lois Nash Kauder, and W. Spindel,
"Temperature Dependence of the Isotopic Fractionation
of Nitrogen in the NO-N03 -System", ,::!. Chern. Phys. 34,
333-4 (1961).
35.
Suzawa, Toshiro, Mashahiro Honda, Osamu Manabe, and
Hachiro Hiyama, "Decomposition of Nitrous Acid in Aqueous
Solution", ,::!. Chern. Soc. Japan. 58, 744-6 (1955).
36.
Suzawa, Toshiro, "Decomposition of Nitrous Acid in Aqueous
, ,
Solution", Kagaku to !2.&Y2 31, 55-60 (1957).
37.
Tada, Osamu, "Nitric Oxide", Rodo Kagaku 40(5), 185-91
(1964).
38.
Waldorf, Daniel Manning, "Reactions and Equilibriums in the
Nitrogen Oxides-Water System", Univ. Microfilms, Order No.
62-6640, 238 pp.; Dissertation Abstr. 23, 3279-80 (1963).
39.
Waldorf, D. M. and A. L. Babb, '~bsorption Spectrum at
357 m~ in the Nitrogen Oxides-Water System", ,::!. Chern. Phys.
40(6), 1476-7 (1964).
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2.0
Descriptions of and Operating Data for Aqueous
Absorption Processes
1.
F. Johnstone, "Gas Absorption and
Media", ~. Inst. Chern. Eng. J.. 1,
Andersen, L. B. and H.
Oxidation in Dispersed
135-41 (1955).
2.
At sukawa , Masumi, Yoshihiko Nishimoto and Naoyuki Takahashi,
"Removal of Nitrogen Oxides from Effluent Stack Gases",
Tech. ~., Mitsubishi Heavy Indl(2), 129-35 (1968).
3.
Atroshchenko, V. I. and B. N. Gushchin, "Kinetics of
Absorption of Nitrogen Oxides by Ammonium Carbonate Solu-
tions" , Zh. Prik1. Khim. 39(12), 2627-33 (1966).
4.
Atroshchenko, V. 1. and E. G. Sedashova, "Rate of
of Nitrogen Oxides by Alkali and by Nitric Ac id" ,
Khim. £2, 1143-50 (1952).
Absorption
Zh. Prikl.
5.
Atroshchenko, V. 1. and E. G. Sedashova, "The Rate of
Absorption of Nitrogen Oxides by Alkali and by Nitric
J.. ~. Chern. U.S.S.R. £2, 1207-12 (1952).
Acid",
6.
Atroshchenko, V. I., "Kinetics
Oxides by Alkaline Solutions",
167-80 (1939).
of Absorption of Nitrogen
J.. ~. Chern. U.S.S.R. 12,
7.
Atroshchenko, V. 1. and 1. 1. Litvinenko, "Kinetics of
Solution of Nitrogen Oxides in Aqueous Solutions of Nitric
Acid", Izvest. Vysshykh Ucheb. Zavedenii, Khim. i Khim.
Tekhnol.!i, 71-6 (1958).
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Radian Corporation
BSOO SHOAL CREEK BLVD. . P. O. BOX 99.ca . AUSTIN, TEXAS 78757 . TELEPHONE 512 - 4S04-~5
8.
Baranov, A. V. and A. F. Il'chenko, "Purifying Gases by
Removal of Nitrogen Oxides", U.S.S.R. Patent No. 226,568
(1968).
9.
and T. B. Mal'chikova,
Exhaust Gases", U.S.S.R.
Baranov, A. V., V. L. Pogrebnaya
"Removal of Nitrogen Oxides from
Patent No. 267,603 (1970).
10.
Baranov, A. V. and T. A. Krechetova, "Comparative Evalua-
tion of Methods for Preparation of Nitric Acid from
Nitrogen Oxides. 1. Kinetics of Bubble Cap Absorption",
Trudy Dnepropetrovsk. Khim.-Technol. Inst. ~, 99-109 (1958).
11.
Bartholome, E. and H. Gerstacker, "The Penetration Theory
and its Application in Kinetic Research on the Physical
and Chemical Absorption of a Gas in Liquids", Scuola Azione
1(7), 61-117 (1963-64).
12.
Becker, H. G., "Mechanism of Absorption of Moderately
Soluble Gases in Water", Ind. Eng. Chem. 16(12), 1220-
1224 (1924).
13.
Bol'shakov, A. G., M. A. Miniovich, A. I. Gansh, and
N. E. Mos'pan, "Lowering of the Concentration of Nitrogen
Oxides in Waste Gases of Nitric Acid Systems Functioning
at Atmospheric Pressure", Khim. Prom. 44(8), 630 (1968).
14.
Borok, M. T., "Dependence of the Degree of Absorption of
Nitrogen Dioxide by Water on its Concentration in Gaseous
Mixtures", Zh. Prik1. Khim. 33, 1761-6 (1960).
15,
Brcic, Branko S., Danilo Dobcnik and Ljubo Golic,
Reaction Kinetics of Nitrogen Oxides with Calcium
Monatsh. Chem. 94(6), 1145-1153 (1963).
"The
Oxide" ,
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16.
Chatfield, Harry E. and Ray M. Ingels, "Gas Absorption
Equipment", Air Pollution Engineering Manual, PHS-Pub-
999-AP-40, 210-232 (1967).
17.
Ento, Akira, Takeshige Shimizu, Masakatsu Murada
Mima, "Elimination of Nitrogen Oxides", Japanese
No. 70 11,202 (1970).
and Kozo
Patent
18.
Fukui, Syoze, "Hygienic Chemical Studies on Public Nuisance
by Injurious Gases. XI. Fundamental Studies on Removal
of Nitrogen Oxides from Gases by the Treatment with
Ammonia (No.2). On the Mechanism of Reaction between
Nitrogen Oxides and Ammonia", l.. !!1g. Chem. 13(1), 22-28
(1967) .
19.
Fukui, Syozo, "Examples of Gas Injury by Hydrofluroic Acid
and Nitrogen Dioxide, and Removal of the Gases from Waste
Gas", l.. Pollution Control ,£(7), 481-486 (1966).
20.
Ganz, S. N. and 1. E. Kuznetsov, "The Design of
Flow Towers with Centrifugal Sprayers", Intern.
2(4),653-656 (1965).
Open Equal-
Chem. Eng.
21.
Ganz, S. N., A. M. Vashkevich and L. 1. Leikin, "Absorption
of NOa by Caustic Solutions under Highly Turbulent Condi-
tions", Izv. Vysshikh Uchebn. Zavedenii, Khim. i Khim.
Tekhnol ~(3), 434-7 (1966).
22.
Ganz, S. N., R. I. Braginskaya, N. I. Gogodetskiy and
M. A. Lokshin, "Absorption of Nitrogen Oxides with Milk
of Lime in Mechanical Absorbers of Pilot Installations",
Izv. Vysshikh Uchebn. Zavedenii Khim. i Khim. Tekhnol.
2(1), 155-159 (1962).
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Radian Corporation
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23.
Ganz, S. N. and M. A. Lokshin, "Study of the Rate of Absorp-
tion in Horizontal Mechanical Absorbers by the Method of
Similitude", Zh. Prikl. Khim. 32, 1477-83 (1959).
24.
Ganz, S. N., "Intensification of the Process of Oxidation
of Nitric Oxide in a Highly Turbulent Condition", Zh. Prikl.
!h!!!l. 30, 689-97 (1957).
25.
Ganz, S. N., A.!. Luk'yanitsa and L. A. Bel 'china, "Combined
Production of Iron-Nitrogen Fertilizers and Purification of
Gases from Nitrogen Oxides", Zh. Prikl. Khim. 12(1), 1609-
11 (1964).
26.
Ganz, S. N. and S. 1. Kapturova, "Kinetics of Nitric Acid
Formation in a Rapidly Revolving Mechanical Absorber",
Zh. Prikl. Khim. ~, 585-96 (1955).
27.
Ganz, S. N., M. A. Lokshin and S. 1. Kapturova, "Kinetics
of Nitric Acid Formation in Rapidly Revolving Mechanical
Absorbers. II. Coefficients of Absorption of Nitrogen
Oxides by Nitric Acid in Mechanical Absorbers", Zh. Prikl.
Khim. 28, 831-40 (1955).
28.
Ganz, S. N., "Increased Removal of Nitrogen Oxides from
Exit Gases by Alkaline Absorption", Izv. Vysshikh Uchebn.
Zavedenii, Khim. i Khim. TekhnoL~, 998-1002 (1961).
29.
Ganz, S. N., "Effect of Hydrodynamic Condition on the Rate
of Absorption of Nitrogen Oxides by Solutions of Calcium
Hydroxide in a Mechanical Absorber on a Semiplant Scale.
Zh. Prikl. Khim. 30, 1311-20 (1957).
I "
. ,
-13-
Radian Corporation
8SOOSHOAl tREEK BLVD. . P. O. BOX 99"8 . AUSTIN, TEXAS 18157 . TelEPHONE 512 - "S04.953S
30.
Ganz, S. N. and M. A. Lokshin, "Effect of Basic Physio-
chemical Factors on the Rate of Absorption of Nitrogen
Oxides by Solutions of Ca(OH)a in a Rapidly Revolving
Absorber. 11.", Zh. Prikl. Khim. 30, 1525-35 (1957).
31.
E. Kuznetsov, "Alkaline Absorption of
in a Hollow Equiflow Tower with a
Sprayer. II.", Tr. Dnepropetr. Khim.-
17-26 (1963).
Ganz, S. N. and I.
Oxides of Nitrogen
Centrifugal Volume
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32.
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8500 SHOAL CREEK 8lVD. . P.O.BOX9948 . AUSTIN, TEXA578757 . TElEPHOHE512-45-4-953S
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8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AU~TlN, TEXAS 78757 . TElEPHONE 512. "5-4.'1535
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6500 SHOAL CREEK BLVD. . P. O. BOX 99<48 . AUSTIN, TEXAS 7B1S1 . TELEPHONE 512. 4S04.9SJS
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8500 SHOAL CREEK BLVD. . P. O. BOX 99-i8 . AUSTIN, TEXAS 78157 . TELEPHONE 512. oi54.9535
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8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN, TEXAS 78757 . TELEPHONE 512. "'5".95]5
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8500 SHOAL CREEK BLVD. . P. O. BOX""8 . AUSTIN, TEXAS 79751 . TELEPHONE Sil. 4S4.~J5
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3.0
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Radian Corporation
8500 SHOAL CREEK BLVD. . P. Q. BOX 9948 . AUSTIN, TEXAS 78757 . TELEPHONE 512 - 454-9535
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-27-
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41.
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Radian Corporation
8500 SHOAL CREEK 8LVD. . P. O. BOX 9'i~e . AUSTIN. TEXAS 78757 . TELEPHONE 512. ..S4.9S35
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-29-
Radian Corporation
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4.0
Physical Properties and Thermodynamic Properties of
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-30-
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Radian Corporation
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8.
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Radian Corporation
8500 SHOAL CREEK BlVD. . P. O. BOX 99-48 . AUSTIN, TEXAS 78757 . TELEPHONE 512 - 4~+9S)5
16.
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Radian Corporation
asoo SHOAL CREEK BlVD. . P. Q. BOX 99048 . AUSTIN, TEXAS 78757 . TELEPHONE ~12. 45-4.95]5
24.
Filippov, V. K., Chih T'i and M.
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-33-
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33.
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Radian Corporation
8SOO SHOAL CREEK BlVD. . P. O. BOX 99"8 . AUSTIN, TEXAS 19757 . TELEPHONE 512 - 45-4.9535
40.
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Radian Corporation
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47.
Myasnikova, V. F., S. I. Drakin, M. Kh. Karapet'yants and
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Radian Corporation
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54.
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Radian Corporation
8SOO SHOAL CREEK BlVD. . P. O. BOX 9948 . AUSTIN, TEXAS 7S7S7 . TELEPHONE 512. "5-4-95JS
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65.
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66.
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Radian Corporation
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69.
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4.1
Thermodynamics of Electrolyte Solutions
1.
Bury, Raymond, Marie C. Justice, and Jean C. Justice, "Cor-
relations between Fundamental Parameters of Conductivity
Theories and Activity Coefficients of Dilute Electrolytes",
~. ~. Acad. Sci., Paris, Ser. ~ 268(8),670-3 (1969).
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"Specific Heats of Monoatomic Cations in Aqueous Solutions",
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4.
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5.
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6.
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7.
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Sci. U.S. 59(1), 39-45 (1968).
-40-
Radian Corporation
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8.
Miku1in, G. I. and 1. E. Voznesenskaya, "Theory of Mixed
Solutions of Electrolytes Conforming to Zdanovskii's Law.
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9.
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12.
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Radian Corporation
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Radian Corporation
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17.
Kovalenko, P. N. and K. N. Bagdasarov, "Photocolorimetric
Determination of the Beginning of Solution of Hafnium
Hydroxide and the Calculation of its Activity Product",
Zh. Neorgan. Khim. I, 1765-8 (1962).
18.
Kovalenko, P. N. and K. N. Bagdasarov, "Determination of
the Solubility of Zirconium Hydroxide", Zh. Neorgan. Khim.
£,534-8 (1961).
19.
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20.
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-44-
Radian Corporation
8500 SHOAL CReEK BlVD. . P. O. BOX "<18 . AUSTIN, TEXAS 79757 . TELEPHONE 512 - "54-95]5
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Radian Corporation
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-------
Radian Corporation
SSOO SHOAL CREEK BLVD. . P. O. BOX 99-48 . AUSTIN, TEXAS 1B757 . TELEPHONE 512. "'S4-TS35
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Radian Corporation
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-54-
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4.4
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-56-
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Radian Corporation
8SOO SHOAL CREEK BlVD. . P. O. BOX 99<48 . AUSTIN, TEXAS 1B7S7 . TELEPHONE 512. ~~.9S35
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TECHNICAL NOTE 200-007-15
CALCULATION OF DECOMPOSITION PRESSURES
OVER METAL NITRATES AND NITRITES
9 December 1971
Prepared by:
Terry B. Parsons
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
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Literature on the thermal stability of metal nitrites
and nitrates has been reviewed in Technical Note 200-007-06.
The data show that the salts decompose at relatively low
temperatures, usually well below 700°C. The mechanism of the
decompositions is quite complicated since the gaseous decom-
position products and the melt interact.
Me(N03) 2 + CO2
~ MeC03 + N 206
(3)
Me (NO a) :2 + CO2
i! MeC03 + N 203
(4)
Thermal decomposition of solid metal nitrates and
nitrites was selected as a possible method of regenerating
metal oxide sorbents for NOx removal processes. In order to
evaluate the effectiveness of several metal oxide sorbents,
the relative free energies of the corresponding nitrate and
nitrite thermal decomposition steps were investigated (see
Technical Note 200-007-13).
The results were calculated for the temperature range
from 2S to 700°C. The changes in entropy and enthalpy and
the logarithm of the equilibrium constant for the reactions
were plotted versus temperature for reactions involving the
metal nitrates and nitrites shown in Table I. The compounds
which are marked by an asterisk are those for which calculations
for reactions such as (3) and (4) were done. The results are
given in the graphs and computer output on the following pages.
The equilibrium constants and free energy changes
for reactions such as (1) and (2), where Me stands for a
metal, were calculated using standard state thermodynamic
properties and heat capacities of products and reactants.
Me(N03) 2
4t MeO + N 205
(1)
Me(N02) 2
1! MeO + Ng03
(2)
Thermodynamic data for reactions such as (3) and (4) were also
investigated in order to describe decomposition in the presence
of CO 2'
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TABLE I
AgNOII* KNOll *
AgNOa* KNOa*
Al(NO.)a LiNOII*
Ba:(NOII)1I * LiNOa*
Ba(NOa).* Mg(NOII)1I
Be (NOli )11 Mg (NOa ) II *
Be(NOa)1I Mn(NOII)1I
Bi(NOa)a Mn(NOa)1I *
Ca(NOII).* Mn(NO.)a
Ca(NOa ).* NaNOII*
Cd(NOII) NaNOa*
Cd (NOa ) II * Ni(NOII).
Ce(NOa)40 Ni(NOa)1I
Co(NOa). Pb(NO.). *
Co (NOa )11 Pb(NOa)a*
CuNOg Sn(NOa)40
CuNOa Sr(NOII). *
Cu(NO. ) I Sr(NOa)lI*
Cu(NOa). Zn(NOg)1I
Fe (NOli ). Zn(NOa)1I
Fe (NOa )11 Zr(NOa)40 *
Fe(NOa).
-3-
-------
SEPT. 1971 2AGN02 = N203 + AG20
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 3.1+039+01+ 1+.1101++01 -1.5835+01
5.0000+01 3.1+061++01+ 1+.1783+01 -1.3905+01
1.0000+02 3.1+127+01+ 1+.1966+01 -1.0815+01
1.5000+02 3.1+169+01+ 1+.2072+01 -8.1+521+00
2.0000+02 3.1+158+01+ 1+.201+7+01 -6.5871++00
!.5000+02 3.1+073+01+ 1+.1879+01 -5.0811+00
1.0000+02 3.3901++01+ 1+.1571+01 -3.81+22+00
.5000+02 3.361+0+01+ 1+.1132+01 -2.8086+00
.0000+02 3.3277+01+ 1+.0572+01 -1.9368+00
.5000+02 3.2810+0" 3.9903+01 -1.191+7+00
.0000+02 3.2235+01+ 3.9136+01 -5.588"-01
.5000+02 3.1551+01+ 3.8279+01 -1.098"-02
.0000+02 3.0755+04 3.7340+01 4.6288-01
.5000+02 2.98"5+01+ 3.6328+01 8.7386-01
.-0000+02 2.8821+0" 3.5248+01 1.23U9+00
.5000+02 2.7682+01+ 3."108+01 1.5411+00
HR PLOT COMPLETEO
SR PLOT COMPLETEO
'~~ K PLOT COMPLETEO
~
z
a:
~
(f)
Z
o
w
z:t:5
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- ('I')
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09 SEP 71
2AGN02
=
N203 + AG20
5
o
-s
-10
-15
-ZD
D
800
TEMPERATURE - DEGREES CENTIGRADE
-------
8 OCT. 1971 2AGN02 + C02 I N2031G) + A!:i2CO"
TE,"1P(t
-------
10 AUG. 1971 2AGtJ03 = N205 +AG20
TF."MPERATURE ENTHALPY ENTROPY LOG K
OEG. C CALoIGMOLE CAL./GMOLE/OEG.K
:?5000+01 5.4859+04 4.4514+01 -3.0482+01
!'.0000+01 6.8220+04 8.8253+01 -2.68411+01
1.0000+02 6.7727+04 8.6835+01 -2.0687+01
1.5000+02 6.715':1+04 8.540'.1+01 ,.1.601'::l+U1
,.0000+02 6.5154+04 8.0835+01 -1.242"1+01
,.5000+02 5.8BdO+04 6.7894+01 -9.7584+00
3.0000+02 5. bllHJ+U4 6.6629+01 -7.6?5~+00
~.5COr.+02 5.7::51+04 6.5563+01 -5.8546+00
4.0000+02 5.6%1+04 6.4653+01 -4.36~1+00
4.5000+02 5.6414+U4 6.:;868+01 -3.09U6+00
5.0COO+02 5.5,0:;+U4 6.~1!J5+01 -1.,993u+00
5.5000+02 5.5427+04 6.::588+01 -1.037i:'+00
F..0000+02 5.4983+04 6.2064+01 -1.97'Jb-01
6.5000+0;> 5.456e+04 6.1602+01 5.4'1~';j-01
7.0000+02 5.4181+04 6.1193+01 1.206U+UO
7.5000+02 5.3821+04 6.0833+01 1.798b+00
......
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ex:
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10 RUG 71
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
2RGN03
N20S +RG20
=
o
800
-5
-10
-15
-20
-25
o
TEMPERRTURE - DEGREES CENTIGRRDE
-------
8 OCT. 1971 2AGN03 + C02 I N205(G) + AG2C03
TENIPEKATUKE ENTHALPY ENTROPY LUG I<
DEG. C CAI../GMOLE CAL./GMOLf./DEG.K
2.51.100+01 3.5286+0~ 5.6871-01 -2.~739+01
5.01.100+1.11 4.8710+04 4.4511+01 -2..1213+01
1..0000+02 4.8565+0~ 4.3511+01 .1.118.14+01
l.5UOO+C2 '.796!'i+04 '1.251.3+01 .1.:'481+01
2.0UOO+02 4.6157+0~ 5.8378+01 -.1.0!'::I.12+01
2.5UOU+U2 4.01116+04 2.5885+01 -1.1U97+U1
3.0GOC+02 5.9665+04 2.o;078+G1 -9.b'l.32+00
3.5UOO+02 .3.9307+04 2.'1479+01 -8.'+.352+00
4.0UOO+02 3.9025+1.14 2.4043+01 -7.'+1~1+00
4.51.101.1+1.12 5.6815+04 2..3741+01 -6.:''I1~+OU
5.0lJOu+02 3.8672+04 2.35'1')+01 -5.'8'1'1+00
5.5UOU+U2 3.859.3+04 2.3451.1+01 -5.1212+00
6.0UOO+U2 3.8578+04 2.3'132+01 -'1.:'3'+7+00
6.5uOU+U2 .3.8&2'1+04 2.3'18.1+01 -'1.1.1115+00
7.01.100+02 .1.87.32+04 2.359&+01 -.3.:'411+00
7.5UOO+U2 3.8t\99+04 2.37&'++01 -3.1152+00
I-
z:
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08 OCT 71
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT CUMPI.~TED
2AGN03 + C02 - N20S(G) + AG2C03
..:
-25
o
TEMPERATURE - DEGREES CENTIGRADE
BOD
-------
9 SEPT. 1971 2AL(N0313 = 3N205 + AL203
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 2.8901+0~ 5.1523+01 -9.9233+00
5.0000+01 ~.2339+0~ 9.5511+01 -7.7593+00
1.0000+02 ~.2010+0~ 9.~565+01 -3.9369+00
1.5000+02 ~.166~+0~ 9.3695+01 -1.0~12+00
2.0000+02 ~.1293+0~ 9.2867+01 1.2230+00
2.5000+02 ~.0893+0~ 9.2063+01 3.037~+00
3.0000+02 ~.0~60+0~ 9.127~+01 ~.5200+00
3.5000+02 3.999~+04 9.0~95+01 5.7510+00
~.0000+02 3.9492+0~ 8.9720+01 6.7865+00
~.5000+02 3.8953+04 8.89~9+01 7.6671+00
5.0000+02 3.8378+04 8.8179+01 8.4229+00
5.5000+02 3. 776~+0~ 8. 7~11+01 9.0768+00
6.0000+02 3.7112+04 8.66~2+01 9.6461+00
6.5000+02 3.6~22+04 8.587~+01 1.01~5+01
7.0000+02 3.5693+0,+ 8.5105+01 1.0583+01
7.5000+02 3.4924+04 8.'+335+01 1.0971+01
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
.....
z
a:
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09 SEP 71
2AUN03J 3
=
3N20S + AL203
15
10
BOD
5
o
-s
-10
o
TEMPERATURE - DEGREES CENTIGRADE
-------
'3 SEPT. 1971 BAIN02)2 = N2031G) + BAO
TEMPrRATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 7.1327+04 4.7005+01 -4.2007+01
5.0000+01 7.1351+04 4.7083+01 -3.7962+01
1.0000+02 7.1415+04 4.7267+01 -3.1494+01
1.5000+02 7.1456+04 4.7372+01 -2.6551+01
2.0'000+02 7.1445+04 4.7348+01 -2.2651+01
2.5000+02 7.1361+04 4.7180+01 -1.9499+01
3.0000+02 7.1191+04 4.6871+01 -1.6901+01
3.5000+02 7.0928+04 4.6432+01 -1.4727+01
4.0000+02 7.0565+04 4.5872+01 -1.2884+01
4.5000+02 7.0097+04 4.5204+01 -1.1305+01
5.0000+02 6.9523+04 4.4436+01 -9.9401+00
5.5000+02 6.8838+04 4.3579+01 -8.7520+00
6.0000+02 6.8042+04 4.2640+01 -7.711.3+00
6.5000+02 6.7133+04 4.1628+01 -6.7949+00
7.0000+02 6.6109+04 4.0549+01 -5.984'++00
7.5000+02 6.4970+04 3.9408+01 -5.2649+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
BA(N02)2
N203(G) + BAO
=
o
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-5
-10
-15
-20
-25
o
. TEMPERRTURE - DEGREES CENTIGRADE
09 SEP 71
BOD
-------
8 OCT. 1971 BA(N0212 + C02 N203(GI + BAC03
TE"'PERATURE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 1.0252+04 2.1514+00 -7.0439+00
5.0000+01 1.C1251J+04 2.1711HOO _6.'+626+00
1.0UOO+02 1.0521+04 2.3510+00 -5.:)3U7+00
1..5UOO+02 1.0398+04 2.5~~6+00 -4.11159+00
2.0UOO+02 1.0'+50+0~ 2.6607+00 ..'+.2~"9+00
2.5UOO+02 1.0'+52+04 2.6665+00 -5.'8~'++00
3.0UOO+02 1.0.390+04 2.55.31+00 -~.'+U~'++OO
3.5uOO+02 1.0252+04 2.3251+00 -3.U87~+00
4.0UOO+02 1.0055+04 1.9876+00 -2.112C!9+00
4.5UOO+02 9.7273+03 1.5'+98+00 . -2.&Ou9+uU
5.0UOO+02 9.3310+03 1.0206+00 -2.'+1'+'++00
5.5UOO+U2 8.1\'+20+03 4.0856-01 -2.C!5t12+00
6.0uOO+02 11.25115+03 -2.7925-01 -2.12110+00
6.5UOU+02 7.579.3+03 -1.0352+00 -2.U2U5+0U
7.000U+02 6.8056+05 -1.85.30+0n -1.':1.328+00
7.5UOO+02 5.9.308+03 -2.7272+00 -1.tS6C!8+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
BA(N02J2 + C02
N203(GJ + BAC03
10
I-
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a: 5
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-10
-15
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BOO
TEMPERATURE - DEGREES CENTIGRADE
08 OCT 71
-------
10 AUG. 1971 BA(N03)2 = N205(G) + BAO
Tf."~PERATURE ENTHALPY ENTROPY LOG K
O[G. C CAL./GMOLE CAL./G~OLE/OEG.K
2.5000+01 1.0771++05 11.61+95+01 -6.836'H01
!I.0000+01 1.2120+05 9.2567+01 -6.17.3'1+01
1.0000+02 1.2099+05 9.191+7+01 -5.0761+01
1.5000+02 1.2060+05 9.11+73+01 -1+.239::>+01
~.OOOO+02 1.2060+05 9.103'1+01 -3.5808+01
2.5000+02 1.2037+05 9.0578+01 -3.0118'H01
3.0000+02 1.2u10+05 9.U082+01 -2.610"'+01
3.5000+02 2..1978+05 8.9537+01 -2.21131+01
1+.0000+02 1.19.59+05 8.89110+01 -1.93U+01
11.5000+02 1.11:.91++05 8.8292+01 -1.66117+01
!I.OOr.O+u2 1....u41+05 8.759.1+01 -1.432b+01
!I.5000...02 1.1782+05 8.68118+01 -1.2300+01
6.0000+02 1.1115+05 7.91116+01 -1.05U+01
6.5000+£:2 1.1040+05 7.IJ31lJ+01 -9.0201+00
7.00r,O+02 1.09511+05 7.H5,o+01 -7.6821+,00
7.5000+02 1.0B6/H05 7.6547+01 -6.1+8111++00
HR PLOT CO~PlETED
SR PLOT CO~PLETED
LOG K PLOT COMPLETED
o
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-5
-10
-15
-20
-25
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10 AUG 71
BA(N03J2
=
N20S(GJ + BAO
800
TEMPERATURE - DEGREES CENTIGRADE
-------
8 OCT. 1971 OAIN03)2 + C02 N205 + BAC03
Tf."'PEHATUR~ ENTHALPY ENTROPY LUG K
OEG. C CAL./G/IIOLE C AI. ./GMOUJOEG. K
2.5UOU+U1 1+.6662+01+ 3.6111'++00 .3.~1+05+01
5.0UOU+U1 6.0109+01+ 1+.7656+01 .~.U2~1++01
l,OUOO+U2 5.91.195+04 1+.7U31+01 -2.'H98+01
1.5uOO+U2 5.'.nqO+Oq Q.66Q5+01 -2.U656+01
2,OUOO+02 5.9606+01+ 1+.65Q7+01 "1..,1+02+01
2.5uOO+02 5.91+6.5+04 1+,60(,5+01 -1.'+714+01
3.0UOU+U2 5.9j01+04 4,5764+01 -1.~609+U1
!I.5UUU+U2 5.'3101+04 4.51+30+0] -1.U7~8+01
4.0UOO+U2 5.81\58+04 4.5U55+01 -9.~616+00
4.5\JOU+02 5.85F.6+04 4.4638+01 -7.':IQ35+UU
5.0UOU+U2 5.8221+04 4.Q17B+01 -6.tlU22+UU
5.5uOu+02 5.7822+04 1+.5677+01 -5.tlO:>8+00
6.0UOO+U2 5.1365+01+ 3.6228+01 -4,':1381\+00
6.5UOU+U2 5.0850+01+ 3.565'++U1 -4.~1+58+UU
7,OUOO+U2 5,0275+04 3.5048+01 -3,&3U7+0U
7,5UOO+U2 4,9640+01+ 3.1+1+12+01 -3.U824+00
o
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-25
o
08 OCT 71
HR PLOT COMPLETED
SH PLOT COMPLETlU
LOG K PLor CO~PLETED
BA(N03J2 1- C02
N20S 1- BAC03
800
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 BEIN02)2 = N2031G) + BEO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 1.5421+04 4.2978+01 -1.9102+00
5.0000+01 1.5445+04 4.3051+01 -1.0352+00
1.0000+02 1.5509+04 4;3240+01 3.6709-01
1.5000+02 1.5550+04 4.3346+01 1.4419+00
2.0000+02 1.5539+04 4.3321+01 2.2905+00
2.5000+02 1.5454+04 4.3153+01 2.9749+00
3.0000+02 1.5285+04 4.2845+01 3.535"+00
3.5000+02 1.5021+04 4.2405+01 3.9993+00
4.0000+02 1.4658+04 4.1846+01 4.3862+00
4.5000+02 1.4191+04 4.1171+01 4.7103+00
5.0000+02 1.3616+04 4.0409+01 4.9823+00
5.5000+02 1.2932+04 3.9552+01 5.2105+00
6.0000+02 1.2135+04 3.8614+01 5.4013+00
6.5000+02 1.1226+04 3.1601+01 5.5599+00
7.0000+02 1.0202+04 3.6522+01 5.690"+00
7.5000+02 9.0630+03 3.5381+01 5.1963+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
......
z
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......
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z
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09 SEP 71
BE(N02)2
N203(GJ + BEO
=
10
5
o
-5
-10
-15
o
BDO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 BE(N0312 = N205(GI +6EO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 3.1381+0'+ '+.6568+01 -1.282"+01
5.0000+01 '+.'+819+0'+ 9.0551+01 -1.051~+01
1.0000+02 '+.'+'+90+04 8.9612+01 -6.IH1~+00
1.5000+02 4.'+144+04 8.8741+01 -3.4046+00
2.0000+02 4.3113+04 8.7913+01 -1.0051+00
2.5000+02 4.3373+04 8.7110+01 9.1875-01
3.0000+02 4.2941+04 8.6321+01 2.4918+00
3.5000+02 4.2'+75+04 8.55'+2+01 3.7986+00
4.0000+02 4.1913+04 8.'+768+01 4.8987+00
4.5000+02 4.1434+04 8.3996+01 5.8350+00
5.0000+02 4.0859+04 8.3221+01 6.63~"+00
5.5000+02 4.0245+04 8.2458+01 1.3358+00
6.0000+02 3. 959'HO,+ 8.1690+01 7.9'+28+00
6.5000+02 3.8903+04 8.0922+01 8.4750+00
7.0000+02 3.8174+04 8.0153+01 8.~438+00
1.5000+02 3~1406+04 1.9383+01 9.3586+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
....
z
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09 SEP 71
BE(N03J2
=
N20S(GJ +BEO
10
5
o
-5
-10
-15
o
BOO
TEMPERRTURE - DEGREES CENTIGRRDE
-------
9 SEPT. 1971 2611N03)3 = 3N2051G) + 61203
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 11.51179+011 5.1111111+01 -2.11137+01
5.0000+01 5.8917+011 9.81129+01 -1.8333+01
1.0000+02 5.8588+011 9.71183+01 -1.3008+01
1.5000+02 5.82112+011 9.&612+01 -8.965i1!+00
2.0000+02 5.7871+011 9.57811+01 -5.7963+00
2.5000+02 5.71171+011 9.11980+01 -3.2502+00
3.0000+02 5.7038+011 9.11192+01 -1.16311+00
3.5000+02 5.6572+011 9.31112+01 5.71171-01
11.0000+02 5.6070+011 9.2637+01 2.0Ilil!O+00
11.5000+02 5.5531+011 9.1866+01 3.29117+00
5.0000+02 5.11955+011 9.10%+01 1I.37"b+OO
5.5000+02 5.113112+011 9.0327+01 5.313U+00
6.0000+02 5.3690+011 8.9559+01 6.13113+00
6.5000+02 5.2999+011 8.8790+01 6.857&+00
7.0000+02 5.2270+011 8.8021+01 7.11979+00
7.5000+02 5.1502+011 8.7251+01 8.0&711+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
10
....
z
a:
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09 SEP 71
261 (N03)3
=
3N20S(G) + 61203
BOD
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 CAIN0212 = N203 + CAO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLEIDEG.K
2.5000+01 ".5275+0" .....091++01 -2.35"8+01
5.0000+01 ".5299+0" "."173+01 -2.0980+01
1.0000+02 ".5363+0" ".1+356+01 -1.6873+01
1.5000+02 ...5..01++0.. "."'+62+01 -1.3732+01
2.0000+02 ".5393+0'+ ...,+..37+01 -1.125'++01
2.5000+02 '+.5309+0'+ '+.'+270+01 -9.2521+00
3.0000+02 ".5139+0,+ ...3961+01 -7.6031+00
3.5000+02 '+."876+0'+ ".3522+01 -6.226'++00
'+.0000+02 '+.1+513+0'+ ...2962+01 -5.0619+00
,+.5000+02 '+."0'+5+0" ".229"+01 -'+.0671+00
5.0000+02 ".3'+71+0" ,+.1526+01 -3.2122+00
5.5000+02 '+.2786+0" ".0669+01 -2.'+71'++00
6.0000+02 '+.1990+0" 3.9731+01 -1.8268+00
6.5000+02 '+.1081+0" 3.8719+01 -1.2635+00
7.0000+02 ...0057+0,+ 3.7639+01 -7.6981-01
7.5000+02 3.8918+0" 3.6'+98+01 -3.3625-01
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
CA(N02J2
=
N203 + CAO
o
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-10
-15
-20
-25
o
800
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
-------
8 OCT. 1971 CA(N0212 + C02 I N203(GI + CAC03
TEMPf:RATURE ENTHALPY E.NTROPY LOG K
DEG. C CIIL./GMOLE CAL./GMOLEIDEG.K
2.5UOO+01 2.8961+03 1.96~b+00 -1.b9~~+00
5.0UOO+01 2.93~8+03 2.085;J+00 .1.:)283+00
1.0000+02 3.0651+03 2.~613+00 -1.:.!571+00
1.5000+U2 3.2113+03 2.8293+00 -1.U~U1+0U
2.0000+02 3.3277+03 3.0903+00 -8.&1&3.01
2.5000"+02 3.3870+03 3.2106+00 -7.1322-01
3.0UOO+U2 3.3716+03 3.183~+00 -5.11983-01
3.5UOO+02 3.2696+03 3.0139+00 -4.8797-01
~.0000+02 3.07.)1+03 2.7116+00 -~.0509-01
4.5000+02 2.7764+03 2.2873+00 -3..)917-01
5.0uOU+02 2.3755+03 1.7520+00 -2.118:)7-01
5.5000+02 1.8675+03 1.1160+00 -2.::1191-01
6.0UOO+02 1.2504+03 3.8884-01 -2.:.!798-01
6.5000+02 5.2265+02 -4.2107-01 -2.1575-01
7.0000+02 -3.1674+02 -1.3061+00 -2.1430-01
7.5000+02 -1.2665+03 -2.259.3+00 -2.:.!281-01
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT CUMPLETED
CA(N02J2 + C02
~ N203(GJ + CAC03
10
I-
z:
a:: 5
I-
(f)
z:
0
u
~ ~
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..... (T) 0
a: 0
CD N
..... z: -
-.-J
..... IJ...
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C3
LLJ LLJ -5
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0 ~
.....
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LLJ
0 a....
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-15
o
800
TEMPERATURE - DEGREES CENTIGRADE
08 OCT 71
-------
10 ,~I)G. 1971 CAIN03)2 = N205 + CAO
TFMPERATURE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 7.525~+01l 11.6084+01 -11.5087+01
5.0000+01 11.1:1718+011 9.0152+01 -11.029'++01
~ .0000+02 8.0493+04 8.9502+01 -3.2266+01
~.5000+C2 8.8207+011 8.8986+01 -2.614'i+01
,.0000+02 8.8(;68+011 8.811%+01 --2.1336+01
:>.5000+('2 8.7b13+04 8.7984+01 -1.7,+~'++01
3.0000+02 8.7~09+011 8.71131+U1 -1.112~'H01
3.5000+02 8.71118+011 8.6827+01 -1.1587+01
4.000<:'+02 8.6721+011 0.616'.1+01 -9.322:>+00
4.50nCt+C2 8.6;:;26+011 5.~'I5'1+01 -7.381~+00
5.0000+02 8.51:>57+04 8.4700+01 -5.7u1'++00
5.500<:'+02 8.5013+011 8.3893+C1 -4.236U+00
6.0unO+02 7 .Y~01tOIl 7.6940+01 -3.008t!+00
(,.5000+02 7.1:11101+011 7.6049+01 -1.94UU+00
7.0000+02 7.752U+04 7.5120+01 -9.916:>-01
7.~000+02 7.6557+011 7.11156+01 -1.1160:>-01
I-
Z
a:
I-
en
Z
o
u
~G
::J ~
...... lJ')
cr:O
(DC\!
...... Z
...J
...... 1L..
::J 0
C3
UJ UJ
...J
~ 0
o ~
-
~ cr:
c.!)UJ
o 0-
...J
HR PLOT COMPLETED
SR PLOT CO~PLETED
LOG K PLOT CO~PLETED
CA(N03)2
=
N205 + CAO
o
BOO
-5
-10
-15
-20
-25
o
TEMPERATURE - DEGREES CENTIGRADE
-------
8 OCT. 1971 CA(N03)2 + C02 N205(G) + CAC03
TEMPEHATUHE ENTHALPY ENTROPY LOG J(
OEG. C CAL./GMOLE CAL./GII.OLE/DEG.K
2.5UOO+01 3.11876+0'+ 3.95'+6+00 -?~2.53+01
5.0UOO+01 '+.6352+0'+ ,+.1\06,++U1 -2.U842+01
1.0UOO+02 '+.b195+0,+ '+.7607+01 -1.&650+01
1.5UOU+U2 4.609'++0'+ '+.7353+01 ..1.~4:>7+01
2.0UOO+U2 '+.f-U02+0,+ '+.71'+8+01 -1.U9'+.3+01
2.5UOU+02 11.5891+0'+ 1I.692~+01 -8.':1151+00
3.UUOU+U2 4,57'+2+04 '+.665.H01 -7.iI!4:J.3+00
3.5UOO+02 4,5541+04 '+.6.Sl8+01 -5.tI'+1!7+00
4.0UOU+02 '+.5201+0'+ '+.5';118+01 -4.b656+00
'+.5UOO+U2 4.11,)0;6+0'+ '+.540;.3+01 .3.b526+00
5.0UOO+U2 '+.11562+04 4.49<'~+01 ..2.1777+00
5.5UOO+02 4.'+09'1+0'+ 4.'+.3'+0+01 -2.U11:>5+00
6.0UOU+U2 .5.8'+61+011 3.7591)+01 -1.'+U96+UO
6.5UOO+02 3.7842+0'+ 3.6909+01 -R.':I229-01
7.CUOO+02 .s.7146+0'+ 3.6175+01 -4.,)6.10-01
7.5UOO+U2 3.6.370+0'+ 3.5398+01 -3.41577-041
I-
Z
a: -5
I-
en
z
a
u
:z::: ~
::J '-'
..... If) -10
a:: a
CD C'\I
..... Z
.-J
..... I.L.
::J a
C?J
UJ UJ -15
.-J
- a
o :z:::
......
~ a::
~ UJ
a a....
.-J
-20
08 OCT 71
HH PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
CA(N03J2 + C02
..
N20S(G) + CAC03
C!
-25
o
800
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 CDIN0212 = N203 + COO
TEMPERATURE ENTHALPY ENTROPY LOG K.
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 2.9388+0.. .....102+01 -1.1902+01
5.0000+01 2.9..12+0.. "."180+01 -1.0235+01
1.0000+02 2.9476+0" 4.4363+01 -7.5672+00
1.5000+02 2.9517+04 4.4469+01 -5.5259+00
2.0000+02 2.9506+04 4.4444+01 -3.9150+00'
2.5000+02 2.9421+04 4.4276+01 -2.6141+00
3.0000+02 2.9252+04 4.3968+01 -1.5441+00
3.5000+02 2.8988+04 4.3528+01 -6.5344-01
4.0000+02 2.8625+04 4.2969+01 9.7280-02
4.5000+02 2.8158+04 4.2300+01 7.348'J-01
5.0000+02 2.7583+0" 4.1532+01 1.2799+00
5.5000+02 2.6899+04 4.0675+01 1.7"78+00
6.0000+02 2.6102+04 3.9737+01 2.1510+00
6.5000+02 2.5193+0" 3.8724+01 2."989+00
7.0000+02 2.4169+04 3.7645+01 2.7993+00
7.5000+02 2.3030+04 3.6504+01 3.0585+00
HR PLOT COMPLETED
SR pLOT COMPLETED
LOG K PLOT COMPLETED
....
z:
a:
....
en
z:
o
u
z:G
::)~
..... ('\')
a:O
(DC'\!
..... z:
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.....u..
::)0
C!J
UJ UJ
...J
- 0
o z:
--
~ a:
(!)UJ
o a...
...J
09 SEP 71
CDCN02)2
N203 + COO
=
10
5
o
-5
-10
-15
o
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 CDIN0312 = N205 + COO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLEIDEG.K
2.5000+01 5.0578+01+ 1+.7692+01 -2.661+':1+01
5.0000+01 6.1+01&+01+ 9.1680+01 -2.325&+01
1.0000+02 6.3687+011 ':1.07311+01 -1.746'3+01
1.5000+02 6.3341+011 8.986'1+01 -1.j07j+Ol
2.0000+02 6.2':170+01+ 8.':1036+01 -9.626HOO
2.5000+02 6.2570+01+ 8.8232+01 -6.8551+00
3.0000+02 6.2137+01+ 8.711113+01 -1+.582~+00
3.5000+02 6.1671+01+ 8.666'+"'01 -2.688'++00
11.0000+02 5.6821+01+ 7.9022+01 -1.177'++00
11.5000+02 5.6283"'011 7.8251+01 9.2212-02
5.0000+02 5.5707+0'+ 7.7'+81+01 1.186/+00
5.5000+02 5.509'++01+ 7.6713+01 2.1381+00
6.0000+02 5.1+111+2+01+ 7.5911'++01 2.97U8+00
6.5000...02 5.3751+01+ 7.5176+01 3.70113+00
7.0000+02 5.3022+011 7.1+1+07+01 11.3537+00
7.5000+02 5.22511+0'+ 7.3637+01 1+.931~+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
CD(N03)2
=
N20S + COO
5
~
z
a:
~
en
z
o
u
z:G
::;).....
...... In
a:O
C:CN
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;:)0
C!J
LLJLLJ
...J
--0
02:
.....
.....a:
(!)LLJ
on..
...J
o
-5
-10
-15
-20
o
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
BOD
-------
8 OCT. 1971 CO(No312 + C02 I N2Q5(GI + COC03
TEMPERATURE ENTHALPY ENTROPY LUG K
DEG. C CAL./GMOLE CAL ./GrJ,OLUOEG. K
2.5UOO+Ol 2.7511+04 4.94,U8+00 -1.119~8+01
5.0000+01 4.0743+04 4.1190&+01 -1.&8&5+01
1.0UOO+02 4.0457+04 4.1\0~4+01 -1.~18b+Ol
1.5UOO+02 4.C206+04 4.74<;6+01 -1.U394+01
2.0UOO+02 3.9970+04 4.6924+01 -8.~0&.HUO
2.5UOO+02 3.9728+04 4.6438+01 -6.'+471+00
3.0UOO+02 3.9474+04 4.5974+01 -5 .'UU56+ UU
3.5UOO+02 3.9200+04 4.551&+01 -3.IIOU2+00
4.0UOO+02 3.4554+04 3.619U+01 -2.117~0+00
4.5UOO+02 ~.42~1+04 3.7727+01 -2.U9':18+UO
5.0.UOO+02 3.3679+04 3.7257+01 -1.'+3'+2+00
5.5000+02 3.3498+04 3.6779+01 -6.:>5&4-01
6.0000+02 3.3087+04 3.629'++01 -3.'+940-01
6.5UOO+U2 3.2644+04 3.5802+01 9.1>216-02
7.0UOO+02 3.2171+04 3.5303+01 '+.':I0'+7-Ul
7.5000+02 3.1&66+04 3.4797+01 1I.40113-U1
~
z
a:
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en
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a
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a ~
-
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(.!) w
a a..
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-15
08 OCT 71
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
CDIN03J2 + C02 ~ N20SIGJ + CDC03
5
-20
o
BOO
TEMPERRTURE - DEGREES CENTIGRRDE
-------
9 SEPT. 1971 CEIN03)" = 2N205 + CE02
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CALelGMOLE CAL./GMOLE/DEG.K
2.5000+01 5.2530+0.. 5.53..5+01 -2.6..07+01
5.0000+01 6.5968+0" 9.9333+01 -2.2903+01
1.0000+02 6.56..0+0.. 9.8387+01 -1.69..0+01
1.5000+02 6.5293+0" 9.7517+01 -1.2"09+01
2.0000+02 6...922+0.. 9.6689+01 -8.8555+00
2.5000+02 6."522+0" 9.5885+01 -5.9981+00
3.0000+02 6."090+0" 9.5096+01 -3.65""+00
3.5000+02 6.3623+0" 9...316+01 -1.7005+00
".0000+02 6.3121+0" 9.35..2+01 -".9553-02
".5000+02 6.2583+0" 9.2770+01 1.3615+00
5.0000+02 6.2007+0.. 9.2001+01 2.5791+00
5.5000+02 6.1393+0" 9.1232+01 3.6386+00
6.0000+02 6.0H1+0" 9.0"63+01 ".5671+00
6.5000+02 6.0051+0.. 8.969"+01 5.3860+00
7.0000+02 5.9321+0" 8.8925+01 6 .1120+00
7.5000+02 5.8553+0" 8.8155+01 6.7589+00
HR PLOT CO~PLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
5
~
Z,
II
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en
z
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o
-5
-10
-15
-20
o
09 SEP 71
CE(N03Jl!
=
2N20S + CE02
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 COtN0212 = N203 + COO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOL.E/DEG.K
2.5000+01 2.6127+01+ 1+.5965+01 -9.101+8+00
5.0000+01 2.6151+01+ 1+.601+3+01 -7.6228+00
1.0000+02 2.6215+01+ 1+.6226+01 -5.2501++00
1.5000+02 2.6257+01+ 1+.6332+01 -3.1+31+7+00
2.0000+02 2.621+5+01+ 1+.6308+01 -2.0018+00
2.5000+02 2.6161+01+ 1+.611+0+01 -8.1+1+77-01
3.0000+02 2.5991+01+ 1+.5831+01 1.0583-01
3.5000+02 2.5728+01+ 1+.5392+01 8.9731-01
1+.0000+02 2.5365+01+ 1+.1+833+01 1.5631+00
1+.5000+02 2.1+897+01+ 1+.1+161++01 2.1275+00
5.0000+02 2.1+323+01+ 1+.3396+01 2.6068+00
5.5000+02 2.3638+01+ 1+.2539+01 3.02U8+00
6.0000+02 2.261+2+01+ 4.1601+01 3.371+4+00
6.5000+02 2.1933+01+ 1+.0569+01 3.6761+00
7.0000+02 2.0909+01+ 3.9509+01 3.9389+00
7.5000+02 1.9770+01+ 3.8368+01 1+.162~+00
HR PLOT COMPLETED
SR pLOT COMPLETED
LOG K PLOT COMPLETED
I-
Z
a:
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(f)
Z
o
u
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::)......
-(T)
a:O
Q:)C\I
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09 SEP 71
CO(N02J2
N203 + COO
=
10
5
o
-5
-10
-15
o
BOD
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 CO(N0312 = N205 + COO
TEMPERATURE ENTHALPY ENTROPY lOG K
DEG. C CAl./GMOlE CAl./GMOlE/DEG.K
2.5000+01 4.6127+04 4.9555+01 -2.2979+01
5.0000+01 5.9565+04 9.3543+01 -1.983':1+01
1.0000+02 5.9236+04 9.2597+01 -1.445:>+01
1.5000+02 5.8890+04 9.1727+01 -1.03611+01
2.0000+02 5.8519+04 9.0899+01 -7.1634+00
2.5000+02 5.8119+04 9.0095+01 -4.5887+00
3.0£.100+£.12 5.7E>87+04 8.9306+01 -2.478~+00
3.5000+02 5.7220+04 8.8527+01 -7.2034-01
4.0000+02 5.6719+04 8.7752+01 7.6387-01
4.5000+02 5.6180+04 8.6981+01 2.0312+00
5.0000+0<, 5.5605+04 8.6212+01 3.1237+00
5.5000+02 5.4991+04 8.5443+01 4.0732+00
6.0000+02 5.1+339+04 8.4675+01 1+.901+1++00
6.5000+02 5.3649+04 8.3907+01 5.6365+00
7.0000+02 5.2920+04 8.3138+01 6.281+7+00
7.5000+02 5.2152+04 8.2368+01 6.8611++00
~
z
a:
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00-
-'
-5
-10
-15
-20
o
09 SEP 71
HR plOT COMPLETED
SR PLOT COMPLETED
lOG K PLOT COMPLETED
CO(N03J2
N20S + COO
=
5
BOO
o
TEMPEARTUAE - DEGREES CENTIGRRDE
-------
9 SEPT. 1971 2CUN02 = N203 + CU20
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL oIGMOLE CAL./GMOLEIDEG.K
2.5000+01 1.2700+04 3.9151+01 -7.5237-01
5.0000+01 1.2724+04 3.9230+01 -3.1640-02
1.0000+02 1.2788+04 3.9413+01 1.1241+00
1.5000+02 1.2830+04 3.9519+01 2.0106+00
2.0000+02 1.2818+04 3.9494+01 2.7107+00
2.5000+0, 1.2733+04 3.9326+01 3.2750+00
3.0000+02 1.2564+04 3.9017+01 3.7363+00
3.5000+02 1.2300+04 3.8578+01 4.1170+00
4.0000+02 1.1937+04 3.8018+01 4.4330+00
4.5000+02 1.1470+04 3.7349+01 4.6961+00
5.0000+02 1.0895+04 3.6581+01 4.914':1+00
5.5000+02 1.0211+04 3.5724+01 5.0964+00
6.0000+02 9.4142+03 3.4786+01 5.24~8+00
6.5000+02 8.5047-+03 3.3773+01 5.3675+00
7.0000+02 7.4809+03 3.2694+01 5.4649+00
7.5000+02 6.3417+03 3.1553+01 5.541U+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
2CUN02 = N203 + CU20
10
I-
Z
ex: 5
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0
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=:)'-'
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CCo
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0 Cl.
-J -10
09 5EP 71
-15
o
BOO
TEMPERATURE - DEGREES CENT1GRADE
-------
9 SEPT. 1971 2CUN03 = N205 +CU20
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 2.7600+0~ ~.0761+01 -1.1322+01
5.0000+01 ~.1038+0&+ 8.~749+01 -9.231&++00
1.0000+02 &+.0709+0~ 8.3803+01 -5.5269+00
1.5000+02 ~.0363+0&+ 8.2932+01 -2.7212+00
2.0000+02 3.9992+0&+ 8.210~+01 -5.2809-01
2.5000+02 3.9591+0&+ 8.1300+Cl 1.2288+00
3.0000+02 3.9159+0~ 8.0511+01 2.66~0+00
3.5000+02 3.8692+0~ 7.9730+01 3.8551+00
&+.0000+02 3.8190+0&+ 7.8956+01 ~.8567+00
~.5000+02 3.7651+0~ 7.818~+01 5.7081+00
5.0000+02 3.7075+0&+ 7.Hl~+01 6.~385+00
5.5000+02 3.6~61+0&+ 7.66~5+01 7.0699+00
6.0000+02 3.5809+0~ 7.5876+01 7.619~+00
6.5000+02 3.5118+04 7.5107+01 8.1003+00
7.0000+02 3.'+389+04 7.&+337+01 8.5231+00
7.5000+02 3.3620+04 7.3567+01 8.896'++00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
2CUN03 = N205 +CU20
15
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Z
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0
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-10
o
09 SEP 71
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 CU(N0212 = N203 + CUO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 1.9250+0~ ~.3300+01 -~.6~67+00
5.0000+01 1.'3275+0~ ~.3379+01 -3.55~6+00
1.0000+02 1.9338+0~ ~.3562+01 -1.8053+00
1.5000+02 1.9380+0~ ~.3668+01 -~.655'1-01
2.0000+02 1.9368+0'1 'I.36~3+01 5.'3201)-01
2.5000+02 1.928~+0~ ~.3~75+01 1.~~5~+00
3.0000+02 1.91l~+0~ ~.3167+01 2.1~55+00
3.5000+02 1.8651+0~ ~.2727+01 2.7266+00
4.0000+02 1.8~88+0~ ~. 2168+0.1 3.2133+00
~.5000+02 1.8021+0~ ~.1499+01 3.6233+00
5.0000+02 1.H~6+0~ 4.0731+01 3.'37U2+00
5.500C+02 1.6761+0~ 3.9874+01 ~.26'11+00
6.0000+02 1.5965+0~ 3.8936+01 ~.5132+00
6.5000+02 1.5056+0~ 3.792~+01 ~.7237+00
7.0000+02 1.4032+04 3.6844+01 4.9001HOO
7.5000+02 1.2893+0~ 3.5703+01 5.0~67+00
HR PLOT COMPLETED
SR pLOT COMPLETED
LOG K PLOT COMPLETED
CU(N02J2
=
N203 + CUO
10
I-
Z
a:
I-
(f)
Z
o
u
%:5
::>-
......(\')
a:o
(DN
...... Z
...J
...... I.L.
::> 0
C!J
W W
...J
....... 0
O%:
...
- a:
t!)w
OCL
...J
5
o
-5
-10
-15
o
BOO
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
-------
9 SEPT. 1971 CU(N0312 = N205 + CUO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 3.7850+01+ 1+.6890+01 -1.71+95+01
5.0000+01 5.1289+01+ 9.0878+01 -1.1+821++01
1.0000+02 5.0960+01+ 8.9933+01 -1.0190+01
1.5000+02 5.0613+01+ 8.9062+01 -6.6755+00
2.0000+02 5.021+2+01+ 8.8231++01 -3.9229+00
2.5000+02 1+.981+2+01+ 8.71+31+01 -1.7135+00
3.0000+02 1+.9«+10+01+ 8.661+2+01 9.5252-02
3.5000+02 1+.891+1++01+ 8.5863+01 1.6000+00
«+.0000+02 1+.8«+1+2+01+ 8.5088+01 2.868&+00
1+.5000+02 «+.790«++01+ 8.1+317+01 3.9501+00
5.0000+02 1+.7328+01+ 8.35«+8+01 «+.8809+00
5.5000+02 1+.6715+01+ 8.2779+01 5.6881++00
6.0000+02 1+.6063+0«+ 8.2011+01 6.3938+00
6.5000+02 1+.5373+04 8.1242+01 7.013&+00
7.0000+02 «+.4643+04 8.0«+73+01 7.5612+00
7.5000+02 «+.3875+04 7.970«++01 8.0470+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
~
z
a:
~
en
z
a
u
%:(3
~-
...... If)
a:o
(DC'll
...... Z
.-J
...... l.L..
~ a
o
w w
.-J
,.... a
a %:
-
-a:
t!Jw
a a..
.-J
-5
-10
-15
o
09 SEP 71
CU(N03J2
=
N20S of- CUD
10
5
800
o
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 FE(N0212 = N203 + FEU
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 2.6398+011 11.7101+01 -8.923!:1+00
5.0000+01 2.6422+011 11.7779+01 -7.1126~+00
1.0000+02 2.6486+011 11.7962+01 -5.029&+00
1.5000+02 2.6527+011 4.~068+01 -3.1950!+00
2.0000+02 2.6516+011 4.804,3+01 -1.747:>+00
2.5000+02 2.6431+011 4.7875+01 -5. .'8~'+-01
3.0000+02 2.&262+04 4.7567+01 3.8192-01
3.5000+02 2.5998+04 11.7127+01 1.1817+00
4.0000+02 2.5&35+04 11.&568+01 1.8511:>+00
4.5000+02 2.51&8+011 4.5899+01 2.11250+00
5.0000+02 2.4593+011 11.5131+01 2.9115+00
5.5000+02 2.3909+04 4.11274+01 3.3282+00
6.0000+02 2.3112+04 11.3336+01 3.685'3+00
6.5000+02 2.2203+04 4.23211+01 3.993~+00
7.0000+02 2.1179+04 11.121111+01 1I.257~+OO
7.5000+02 2.0040+04 4.0103+01 11.11837+00
I-
Z
a:
I-
(f)
Z
o
u
:z:C3
::J -
- (T)
a:0
(DC\!
- Z
..J
- lL.
::JO
C3
lJJ lJJ
..J
,.... 0
OX:
.....
-a:
~lJJ
o a....
..J
09 SEP 71
HR PLOT COMPLETED
SR pLOT COMPLETED
LOG K PLOT COMPLETED
FE(N02J2
N203 + FEO
=
10
5
o
-5
-10
-15
o
800
TEMPERATURE- DEGREES CENTIGRADE
-------
9 SEPT. 1971 FE(N0312 = N205 + FEO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL ./GMOLE CAL./GMOLEIDEG.K
2.5000+01 1+.6168+01+ 5.1291+01 -2.2630+01
5.0000+01 5.9b06+01+ 9.5279+01 -1.91+81+01
1.0000+02 5.9271+01+ 9.1+333+01 -1.l+l0U+Ol
1.5000+0:;> 5.6931+04 9.346.)+01 -1.000'7+01
2.0000+02 5.8560+01+ 9.2635+01 -6.8028+00
2.5000+02 5.8160+01+ 9.1832+01 -1+.226.3+00
3.0000+02 5.1728+01+ 9.101+3+01 -2.1144+00
3.5000+02 5. '1~61+01+ 9.U26.:l+Ol -3.551':1-01
1+.0000+02 5.6759+01+ 8.91+89+01 1.1301+00
1+.5000+02 5.6221+01+ 8.8718+01 2.3983+00
5.0000+02 5.561+5+01+ 8.7949+01 3.1+916+00
5.5000+0.2 5.5032+01+ 8.7180+01 1+.1+1+1':1+00
6.0000+02 5.1+380+01+ 8.61+12+01 5.2731+00
6.5000+02 5.3690+01+ 8.561+3+01 6.0061++00
7.0000+02 5.2961+01+ 8.1+871++01 6.6551+00
7.5000+02 5.2193+01+ .8.1+105+01 7.23U+00
HR PLOT COMPLETED
SR pLOT COMPLETED
LOG KPLOT COMPLETED
FE(N03J2
=
N205 + FEO
5
.....
z
a:
.....
en
z
o
u
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::)"-
..... IJ')
a:0
aJN
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..... u...
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(3
W W
...J
,..... 0
ox
.....
-a:
(!)W
O/l..
...J
o
-5
-10
-15
-20
o
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
800
-------
..
9 SEPT. 1971 2FE(N0313 = 3N205 + FE203
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLEIDEG.K
2.5000+01 2.8565+04 5.2827+01 -9.3927+00
5.0000+01 4.2028+04 9.6892+01 -7.2469+00
1.0000+02 4.1711+04 9.5981+01 -3.4520+00
1.5000+02 4.1348+04 9.5071+01 -5.774u-01
2.0000+.02 4.0948+04 9.4179+01 1.6688+00
2.5000+02 4.0517+04 9.3312+01 3.4673+00
3.0000+02 4.0056+04 9.2471+01 4.9357+00
3.5000+02 3.9568+04 9.1656+01 6.153'.:1+00
4.0000+02 3.9056+04 9.0865+01 7.1782+00
4.5000+02 3.8520+04 9.0097+01 8.0490+00
5.0000+02 3.7960+04 8.9349+01 8.7965+00
5.5000+02 3.7378+04 8.8619+01 9.4434+00
6.0000+02 3.6774+04 8.7907+01 1.0007+U1
6.5000+02 3.6148+04 8.7210+01 1.0502+01
7.0000+02 3.5516+04 8.6544+01 1.09311+01
7.5000+02 3.4753+04 8.5779+01 1.1323+01
HR PLOT COMPLETED
SR PLOT COMPLETlD
LOG K PLOT CO~PLETED
I-
Z
a:
I-
(f)
Z
o
U
~(b
=> ~
...... Lf)
rr.o
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...... Z
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=> a
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-1
D9 ~EP 71
2FE(ND3)3
=
3N2D5 + FE2D3
15
10
BOO
5
o
-5
-10
o
TEMPERRTURE - DEGREES CENTIGRRDE
-------
9 SEPT. 1~71 2KN02 = N203 + K20
TEMPERATURE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLf./OEG.K
2.5000+01 1.1040+05 4.3314+01 -7.1451+01
5.0000+01 1.1002+05 4.2150+01 -6.5193+01
1.0000+02 1.1009+05 4.2333+01 -5.5221+01
1.5000+02 1.1013+05 4.2439+01 -4.7601+01
2.0000+02 1.1012+05 4.2414+01 -4.1591+01
2.5000+02 1.1003+05 4.2246+01 -3.6732+01
3.0000+02 1.0986+05 4.1938+01 -3.2725+01
3.5000+02 1.0960+05 4.1499+01 -2.9367+01
4.000(1+02 1.0924+05 4.0939+01 -2.6517+01
4.5000+02 1.0877+05 4.0271+01 -2.407U+01
5.0000+02 1.0820+05 3.9503+01 -2.1949+01
5.5000+02 1.0751+05 3.8&4b+01 -2.0097+01
6.0000+02 1.0672+05 3.7708+01 -1.8469+01
6.5000+02 1.0581+05 3.6696+01 -1.702!!+01
7.0000+02 1.0478+05 3.5616+01 -1.5747+01
7.5000+02 1.0364+05 3.4475+01 -1.4603+01
-10
I-
Z
a:
I-
(f)
Z
o
u
E(3
:::>~
...... ('I')
ceo
CD(\J
...... Z
...J
...... lL.
:::> 0
a
w w
...J
~ 0
OE
......
~ce
~w
o a....
...J
-15
-20
-25
-30
-35
o
09 SEP 71
HR PLOT COMPLETEO
SR PLOT COMPLETEO
LOG K PLOT COMPLETEO
2KN02
=
N203 + K2D
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
8 OCT. 1971 2KN02 + C02 N2031G) + K2C03
TEIiIPERATURE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLE/OEG.K
~.5000+01 1.1\901+04 1.0646+00 -1.~621+01
5.0UOU+U1 1.8521+04 -1.22,s,s-01 -1.i!5~2+01
1.0UOO+U2 1.e628+04 1./1405-01 -1.U869+01
1.5UOU+U2 1.87f,7+04 ~.32~4-01 -9.~7~7+00
:>.OUOU+lI2 1.8b/18+04 8.0432-01 -8.:J41S2+UO
:1.5UOO+02 1.8'3,6.h04 9.5468-01 -7.1126+00
3.UUOU+U2 1.8911+04 9.7U69-U1 -7.U212+00
3.5UUU+U2 1.8900+04 6.5,s.39-01 -(,."..17+00
II.OUOO+U2 1.S7"2+04 6.0977-U1 -5.':1512+00
4.5UOO+U:> 1./111/19+04 2.1~9(15-01 -5.:J.331+00
5.0iJOU+U2 1.8139+04 -2.1899-01 -5.1749+00
'5.5..100+U2 1.761\7+04 -7.8111\9-U1 -4.U672+0U
';.OUOO+02 t.7131+04 -1.4.~q8+00 -4.6U2.3+00
6.5UOU+U2 1.1i470+04 -;:>.1757+00 -4.37".3+00
7.0UOO+U2 1.5702+04 -2.9/352+00 -4.171:15+00
7.5UOO+U:1 1.4827+04 -3.1\618+00 -4.U1U8+0U
I-
Z
a: C
I-
en
z
a
u
, D
:::) ~
........ ('I") 5
a: a
CD ("\J
........ z:
-I
........ lL.
:::) a
Q
lJ..J lJ..J -10
-I
~ a
a L
- a:
D lJ..J
a Q...
-I
-15
08 OCT 71
HR PLOT COMPLETED
S~ PLOT COMP~ETlD
LOG K PLOT CU~PLETEO
2KN02 + C02
N203(GJ + K2C03
5
-20
o
600
TEMPERATURE - DEGREES CENTIGRADE
-------
19 ',UG. 1971 2KI.J03 = ~J205 +K20
TE~lprRA runE [IHHALPY ENTROPY LOG K
DEG. C CAL./G~;CLE CAL dG/I,OLE/DEG. K
2.5(100+01 l.:H 74+05 4.~76't+01 :-1.0181+02
5.UOCU+tJ 1.6~J.~+05 8.6607+01 .-9.2746+01
1.0000+02 1.b1i96+u5 a.6137+01 -7.77t\'t+01
1.'JCCU+O;: 1.b~1'J+u5 7.924£+01 -6.6441+01
2.0,,( ';+1.;2 l.612.U+U5 7.&.1Eo+01 -5.7606+01
2.5f)C.a+c", ~..o15lJ+05 7.776~+01 -5.0471+01
3.0000+0£ 1.6126+05 7.735£+01 -4.45B~+01
? . 5 (, n; + ~ ~~ 1.:jtA9+'.)!i 6.~470+G1 -3.970U+01
4.\,()(jQ+G.. 1.~jU2+05 6.':11)4+01 -.3.562b+01
1f.~f!c!U+O; 1.!.i<.1'::i+05 6.9U07+01 -.3.211':1+01
5. '" (' ( () + C 2 1.~)t.1U+05 6.bH9J.+Ol -2.906/+01
~.~'O(~o.v~) 1.:JL(,~+05 6.68.32+01 -2.636IH01
f..(..(jCO+()::> 1.5"O'i+(;5 6.1:.021+0l -2.4U1~+U1
(.sc~o+(;;, 1.:",,;)07+05 6.f..o51+L;1 -2.190U+01
7. ocr;u+c,;,~ 1.'j,,).1+u~ 6.(,91:5+U1 -2.0U01+U1
7.5CGU+U;o 1. ~r.J2:')+u5 6.-;;009+01 -1.1\£1\(+01
2KN03 = N20S +K20
-15
....
Z
a: -20
....
en
z
0
u
xG
:J-
-In -25
0:0
CDN
- Z
...J
- u..
:JO
OJ
UJ UJ -30
...J
.... 0
ox
-
-0:
(!)UJ
O(l..
...J -35
BOO
TEMPERATURE - DEGREES CENTIGRADE
10 AUG 71
-------
8 OCT. 1971 2KN03 + C02 N2051G) + K2C03
TE:~PEt(ATUKE ENTHALPY ENTKOPY L.UG K
OEG. C CAL../GMOL.E CAL../GMOLE/DEG.K
2.5UOO+01 6.02141+014 5.1464-01 -14.'+0'+2+01
5.0UOU+U1 7.3&90+04 4.14535+01 -1I.U101+01
1.0UOO+U2 7.3502+04 4.39011+01 -3..)4.)3+01
1.5UOO+02 7.0832+04 3.7336+01 -2.1!14i!2+01
~.OUOU+U2 1.05(4+04 3.6756+01 -2.'+563+01
2.5UOO+U2 7.0433+04 3.6473+01 -2.1'451+01
3.0UOO+02 7.G31J5+04 3.6384+01 -1.1181\6+01
3.5UOO+02 6.5793+04 i!.A625+01 -1.b774+!)1
4.0UOU+U2 6.51119+04 2.P.81'.4+01 -1.~0f,0+U1
4.5UOO+02 6.5904+04 2.89A5+01 -1..)582+01
5.0UOU+02 6.60'+1+04 2.Q168+0t -t.i!295+01
5.5UOO+U2 6.6227+04 2.9401+01 -1.1151+01
6.0UOO+02 6.6'1'i8+04 2.9674+01 -1.Ul'19+01
1'..5UOO+02 6.6733+04 2.9979+01 -9.i!4bO+00
7.0UOO+U2 6.7U50+04 3.0313+01 -a."~25+00
7.5UOU+02 6.71107+04 3.0611+01 -7.b948+00
-5
I-
z:
a:
I- -10
r.n
z:
a
u
~ C)
~ ~
...... In -15
a: a
CD ("\J
...... Z
--.J
...... l1...
~ a
c
w w -20
--.J
a
a ~
......
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C) w
a a...
--.J
-25
-30
o
08 OCT 71
HR PLOT COMPLETED
SR PLOT COMPL.ETEO
LOG K PLOT COMPLETED
2KN03 + C02
N20S(GJ + K2C03
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 2LIN02 = N203 + LI20
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 7.0496+04 4.0282+01 -4.2866+01
5.0000+01 7.0521+04 ,+.0361+01 -3.8870+01
1.0000+02 7.058'++0'+ '+.0543+01 -3.2'+77+01
1.5000+02 7.0626+04 4.0649+01 -2.7591+01
2.0000+02 7.061'++0'+ 4.0624+01 -2.3737+01
2.5000+02 7.0530+0'+ 4.0'+56+01 -2.0621+01
3.0000+02 7.0360+0'+ '+.0148+01 -1.8054+01
3.5000+02 7.0097+0,+ 3.9708+01 -1.5905+01
4.0000+02 6.9734+0'+ 3.91'+8+01 -1.'+083+01
,+.5000+02 6.9266+04 3.8'+79+01 -1.2525+01
5.0000+02 6.8691+0'+ 3.7712+01 -1.1175+01
5.5000+02 6.8007+04 3.6854+01 -1.0001+01
6.0000+02 6.7211+0'+ 3.5916+01 -8.9726+00
6.5000+02 6.6301+0'+ 3.'+903+01 -8.0676+00
7.0000+02 6.5277+0'+ 3.382'++01 -7.261C!+00
7.5000+02 6.'+138+0'+ 3.2683+01 -6.5569+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
2LIN02
=
N203 + LI 20
o
I-
Z
a:
I-
(f)
Z
o
u
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::)~
'-' ('r')
ceo
CDN
'-'Z
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'-' l.L-
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C3
W W
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o ::E
.....
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CJW
o CL
~
-5
-10
200
400
800
-15
-20
-25
o
]00
TEMPERATURE - OEGREES CENTIGRAOE
09 SEP 71
-------
8 (1CT. 1971 2UN02 + C02 N203(G) + LI2C03
TE"1PEKATUKE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLE/OE:G.K
2.5UUO+01 1. f, 7I+6+0Q -2.0270+00 -1.i!717+01
!'i.OUOO+01 1.679IHO~ -1.873!;+00 -1.1766+01
1.0UOO+02 1.6907+0Q -1.548!;+00 -1.U2'10+01
1.5UOO+02 1.1l12G+04 -1.2434+00 -9.U£.:19+00
2.00!J0+02 1.11'16+04 -9.1922-01 --6.1.5"5+00
2.5UOO+02 \.1~55+0~ -1.f>146-01 -1."1'1~+00
3.0UOU+02 1.13'19+04 -5."92/:1-01 -6.'431+00
3.!'iIlOU+02 1.1426+04 -'1.59'14-01 -6.i!111J+00
'I.OUOO+1I2 1.14116+04 -3.679'1-01 -5.(571+00
~.::iUOO+02 1.7259+04 -6.903&-U1 -5."£.&4+00
!'i.UUUu+U2 1.6933+04 -1.12118+UO -5.U322+UU
5.5UOO+02 1.£.515+011 -1.514'1+00 -4.(4'111+00
".000U+02 \.f.1A1+011 -2.0,'\82+00 -4.'1953+00
6.5UOU+1I2 1.~153+011 -2.5153+00 -'I.27U8+00
1.UUUU+U2 1.52/J9+0'l -~.OU'Ib+UO -4.UB99+UU
1.5UOu+C2 1.'I7RY+01I -3.50'lY+()0 -3.'12'18+00
I-
Z
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(f)
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...... Z
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-15
08 OCT 71
HK PLOT COMP~tTED
SH PLOT COMPLETED
LOG K PLOT COMPLETED
2LIN02 + C02
N203(GJ + LI2C03
:J
-20
o
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
19 ALG. 1971 2LltJ03 = N205 + LI20
TEt~PERATlIf+01
4.~G('0+(;,- g.';1~O~'+0/+ 5.E491+0\ -1.43/\1:0+01
~.(JaO(;+u2 0.91:07+U4 5.63&4+01 -1.26.1U+U1
5.5000+G~ 8.9748+04 5.8290+01 -1.108/H01
c.GOC(;+U2 b.~721-t04 5.0«56+01 -9.724~-t00
6.500u+(;;! /'..';1"/<::4+04 5.ti2Gl+01 -8.50I:lU+00
7.0000+0:, 1I.'.1754+t.J4 5.(j~93+01 -7.111f.:J+OO
7. 5ClC Q+c." 8.9b11+U4 5.ti35D+01 -6.43U+00
D
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-15
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-25
D
10 RUG 71
2LIN03
N20S + LI 20
=
TEMPERATURE - DEGREES CENTIGRADE
BDD
-------
8 OCT. 1971 2LIN03 + C02 N2051GI + L12C03
TE"'PI::KATlIKE ENTHALPY ENTHOPY LUG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 3.68~6+0~ -~.'70.5-01 -2.7098+01
5.0UOO+01 5.0<'38+0~ ~.3~::>1+01 -2.'+~85+01
1.0UOO+1I2 ~.993~+0~ ~.2542+01 -1.':I9~7+01
t.5UOU+U2 ~.9736+0~ ~.::>U~1+U1 -'.b~9R+01
2.0UOO+02 ~.9611+0~ ~.1761+01 "-1..17t1/1+01
".5uUU+U2 4.9540+0~ ~.]611J+U1 -1.15':19+01
~.OUOOt02 ~.7~~4+04 1.861U+01 -\.U211&+U1
3.5uOU+U2 3.7~4~+0~ 1.fl792+01 -':1.0'5':17+00
~.OU()O+C::> 3.771\8+04 1.91&7+01 -R.07911+no
~.5UOO+U2 3.7b')~+04 1.9321+01 -7.l292+00
5.0000+(12 3.1\0~9+0~ 1.9527+01 -6.'+H75+00
5.5UOO+02 3.1\~16+0~ 1.9/161+01 -5.1132U+OU
6.0UOO+U2 3./;691+04 ".030.1+01 -5.l461HOO
6.5uOU+U2 3.917~+04 2.0B~2+Ui -~.(1':12+00
7.0UOO+0;:> 3.97f,f,+0~ 2.1~64+01 -4.2393+00
7.5UOO+U2 4.0463+04 2.2162+U1 -3.(9':13+00
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-20
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08 OCT 71
HR PLOT CUMPLETED
SR PLOT COMPLETED
LOG K rLOT CUMPLETEO
2LIN03 + C02
N20S(GJ + LI2C03
o
BOD
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 MGIN0212 = N203 + MGO
TEMPERATURE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLE/OEG.K
2.5000+01 2.9803+04 4.2713+01 -1.2510+01
5.0000+01 2.9828+04 4.2791+01 -1.0820+01
1.0000.02 2.9891+0'1 '1.2974+01 -8.1l4~+OO
1.5000+02 2.9933+04 4.3080+01 -6.0442+00
2.0000+02 2.9921+04 4.3055+01 -4.410&+00
2.5000+02 2.9831+04 4.2881+01 -3.0913+00
3.0000+02 2.9&&1+04 4.2518+01 -2.00&6+00
3.5000+02 2.9404+U4 4.2139+01 -1.1026+00
11.0000+02 2.90111+04 4.1519+01 -3.4128-01
4.5000+02 2.8513+04 4.0911+01 3.05&5-01
5.0000+02 2.7999+04 4.0143+01 8.587::)-01
5.5000+02 2.7314+04 3.9286+01 1.3339+00
6.0000+02 2.6518+04 3.8347+01 1.7433+00
6.5000+02 2.5&08+04 3.7335+01 2.0969+00
7.0000+02 2.4585+04 3.0255+01 2.4U2j+OO
1.5000+02 2.3446+04 3.5114+01 2.6661+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
MG(N02J2
=
N203 + MGO
5
I-
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-10
-15
-20
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BOO
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
-------
19 J\L:G. 1971 r4GIN0312 = N20~ + MGO
TEMPERJ\TI..KE nITt iJ\LP Y ENTi\IJPY LOG K
OE6. C CALoIGJtiOLE CAL./GMOLt.:DEG.K
2.5000+01 4.e(,4~+04 5.000~+01 -2.428&+01
5.000;)+IJl (,.1521+,)'1 9.'11b+01 -2.103b..01
1.u(10U+O;.> (, .l:~.~ 1 +(;4 9.~540+01 -1.547U+01
1.50(,0+02 6.111.S+04 9.3017+01 -1.123'1+01
~.OOOO+O;? 6.ub'l4+04 9.241'::1+01 -7.90~U+UO
2.5CCU+u;J h.u'Iu:1+04 9.1£>9/+01 -5.22b~+00
3.00GU+u2 c..uCJu+"" 9.0ti34+u1 -3.030:>+00
3.50(oO+Ii;~ 5.')'+10+0'. B.':ib31+01 -1.2031+00
4.()00U+lI.? 5.bb7~+0'l 8.u69'++Ii: 3.35.14-01
1I.5lj(;(,+0;< ~.. 7"/':;1+04 8.743':+01 1.6'12';>+00
5.0000+02 5.b75'.HU4 8.b05'1+01 2.n,U+00
5.500CJ+u; 'S.5:-J7~+:.J4 /1.457,)+01 3.7<,7:>+00
6.0000+0;:> 5.423::>+11'1 6.:::98'1+01 4.562b+00
t:..5CiCO+C.~ 5.2732+04 B.U1t1+G1 5.21.;8U+00
7.000U+CJ:? !i.1U71+0'l 7.9566+01 5.919b+OO
7 . 5 Ii I' U + U 2 1j.':I~lth+i,;' 7.7'13<;1+01 b.470~+00
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19 AUG 71
HR PLOT CO~rlET~D
8M pLOT LO~PLlTED
LOG K PLUT CC~PLET[D
MG(N03)2
=
N20S + MGO
5
8DD
o
-s
-10
-15
-20
o
TEMPERATURE - DEGREES CENTIGRAOE
-------
8 OCT. 1971 MGIN0312 + C02 I N205(GI + MGC03
Tr~P£t(ATUt(E ENTHALPY ENTROPY . I.OG K
OEG. C CAL./G~OLE CAl./G~OLE/DEG.K
2.5UOU+U1 2.1695"'0~ ~.~565+00 -1.'+928+01
5~OUOU+U1 3.5178"'04 4.8589+01 -1. .)171+01
1.UUUU",U2 3.5U27"'U4 ,+.81~1+U1 -9.':I9U7"'OU
1.5UOU+U2 3.4906+04 '+.7846+01 .7. :)7U8"'OU
2.0UOlJ+U2 3.'+755"'04 4.7511"'01 --5.6696+00
?5UOU...02 3.11539"'011 4.7078",U1 -~.13':17+00
3.0UUU+U2 3.423'++011 4.6521+u1 -".1I862+UU
3.5UOU"'U2 3.3d?3+0'+ '+.5f!36+01 -1.11'+47+00
4.0UOO+U2 3.:'\297"'04 4.~0?~+01 -9./UU7-U1
,+.:JUOO+02 3.26'+H04 ~.('09'+"'U1 -2.~9:J&-01
5.0UOU",U2 3.1068+04 4.3U5'++U1 II.U123-01
5.5UOU...U2 3.0956"'0'+ '+.1912+U1 9."U':I0-U1
f,.OuOU-+U2 2.9(:H)8+U~ '+.0676+01 1."U~9+UO
6.5UOU+U? 2.8721+0,+ 3.9356+01 1.IIU1&+UO
7.0UOO"'U2 2.7395+04 3.795H01 2.1431+00
7.5UOU+U2 2.592!J+U~ 3.&4P.IH01 2.'+360+0U
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08 OCT 71
HH PLOT COMPLETED
SR PLOT CU~PLET£D
LOG K PlUT CU~PLETED
MG(N03J2 + C02 - N20S(GJ + MGC03
5
Q
-5
-LO
-L5
-2Q
[!
BOO
TFMPEARTUAE - DEGREES CENTIGRRDE
-------
9 SEPT. 1971 MN(N0212 = N2Q3 + MNO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLEIDEG.K
2.5000+01 3.1881+04 4.7875+01 -1.2905+01
5.0000+01 3.1906+04 4.7953+01 -1.1097+01
1.0000+02 3.1969+04 4.8137+01 -8.203U+00
1.5000+02 3.2011+04 4.8242+01 -5.9892+00
2.0000+02 3.1999+04 4.8218+01 -4.2422+00
2.5000+02 3.1915+04 4.8050+01 -2.8312+00
3.0000+U2 3.1746+04 4.7741+01 -1.67U';l+00
3.5000+02 3.1482+U4 4.7302+01 -7.033~-01
4.0000+02 3.1119+04 4.6742+01 1.1235-01
4.5000+02 3.0652+04 4.607,++01 8.0594-01
5.0000+02 3.0U77+04 4.5306+01 1.39';17+00
5.5000+02 2.9393+04 4.1i1i49+01 1.9105+00
6.0000+02 2.8596+04 4.3511+01 2.3515+00
6.5000+02 2.7687+04 4.2498+01 2.7332+00
7.0000+02 2.&663+04 <;.1419+01 3.0640+00
7.5000+02 2.5524+04 4.0278+01 3.35U&+00
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09 SEP 71
HR PLOT COMPLETED
SR pLOT COMPLETED
LOG K PLOT COMPLETED
MNCN02)2
=
N203 + MNO
5
a
-5
-10
-15
-20
a
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 MN(N0312 = N205 + MNO
TEMPERATURE ENTHALPY ElliTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLEIDEG.K
2.5000+01 4.8501+04 5.1465+01 -2.4302+01
5.0000+01 6.1940+04 9.5'+53+01 -2.1027+01
1.0000+02 6.1611+04 9.4508+01 -1.542';1+01
1.5000+02 6.1265+04 9.3637+01 -1.1177+01
2.0000+02 6.0894+04 9.280';1+01 -7.8427+00
2.50CO+()2 6.0494+04 9.200&+01 -5.1631+00
3.0000+02 6.0061+04 9.121"'+01 -2.9b&'=!+00
3.5000+02 5.9595+04 9.0438+01 -1.135~+00
4.0000+02 5.9093+04 8.9663+01 4.1053-01
4.5000+0,=! 5.8::'5::'+04 H.U892+01 1.7311+00
5.0000+02 5.7979+04 8.8123+01 2.6701+00
5.5000+02 5.7366+04 8.7354+01 3.8604+00
6.0000+02 5.6714+04 8.6586+01 4.7277+00
f>.!:>uGU+02 ~.b024+04 £.5818+C1 5.4920+00
7.0000+02 5.52'J5+04 8.5049+01 6.1691+00
7.5000+02 5.4527+04 8.4279+01 6.7718+00
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-5
-10
-15
-20
o
09 SEP 71
HR PLOT COMPLETED
SR PLQT CO~PLET£D
LOG ~ PLOT COMPLETED
MN(N03)2
N20S + MNO
=
5
BOD
o
TEMPERATURE - DEGREES CENTIGRADE
-------
8 OCT, 1971 IJIN(N0.312 + C02 N205(GI + MNC03
T[~P£t{ATUt{E ENTHALPY ENTROPY LOG K
OEG, C CAL,/G"10LE CAL,/GMOLE/DEG,K
2,5000+01 2,0696+011 2,83115+00 -1,'+550+01
5,OUOO+U1 ~,lllj6+011 1I,f.827+01 -1,,01.1(10+1.12 3,33]9+011 11,4742+01 -S,b112+00
2,:'UOO..02 3, 304.6+UII 11,11193+01 -'+,1462+00
3,OUOO+tl2 3,2756"011 11,36&5+01 -2,':1'+'0+00
3,5UOU+U2 3,;>4'16+04 11,314"1+01 -1,':1QY4+UO
4,OUOO+02 3,2112+011 11,26.31+01 -1,101:15+UO
1I,5UOU+02 3,1753+011 11.2116+01 -3,':11:'5-U1
5,OUOU+U2 3,1.3f>6+011 1I.160U+01 2,2534-01
5.5UOO+U2 3,1;951 +04 1I.10RO+0] 7,b042-U1
6.0uOU"U2 05.0509+011 1I,0558+U1 1.
-------
9 SEPT. 1971 2MNIN03)3 = 3N20~ + MN203
TEMPERATURE ENTHALPY ENTROPY LOG K
UEG. C CAL./GMOLE CAL./GMOL£lOEG.K
2.5000+01 3.4645+04 5.4733+01 -1.3432+01
5.0000+01 4.6084-+04 9.6721+01 -1.094<:+01
1.0000+02 4. n5~+04 9.7"17&+U1 -6.59':/~+OU
1.~000+02 4.740':I+U4 9.b':l0&+01 -3.3063+00
2.0000+02 4.7038+04 9.6078+01 -7.285':/-01
2.5000+02 4.6637+~4 9.527'++01 1.3393+00
3.0000+02 4.620~-+04 9.448&+01 3.03U+OU
3.5000+0;2 4.5739+'01\ 9.3706+01 4.'+380+00
4.0000+02 4.5237+04 9.2931+01 5.&232+00
4.5000+02 4.4698+04 9.2160+01 6.1>327+00
5.0()(,u+u2 11.4123+04 9.139U+01 7.'5(JUb+OO
5.5000+02 4.3~09+U4 9.U&22+U1 11.2533+00
6.0000+02 4.2857+04 8.91153+01 8.9099+00
&.5000+02 4.21&7+04 8.90811+01 9.11863+00
7.UOUO+02 4.1,+37+U4 11.8315+01 9.9949+00
7.5COU+02 4.U069+04 8. n4~+Cl 1.044&+(J1
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09 SEP 71
HR PLOT COMPLETED
SR PLOT COMPLETEU
LOG K PLOT COMPLETED
2MN(N03J3
3N205 ... MN203
=
10
BOO
5
o
-5
-10
-15
o
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 2NAN02 = N203 + NA20
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOL£./DEG.K
2.5000+01 8.8.370+04 4.021&+01 -5.598.3+01
5.0000+01 8.8394+04 4~0292+01 -5.0971+01
1.0000+02 8.8456+04 4.0472+01 -4.2959+01
1.5000+02 8.8497+04 4.0575+01 -3.6836+01
2.0000+U2 8.7886+U4 3.9174+01 -j.20j1+{J1
2.5000+02 8.7601+U4 3.9004+01 -2.815j+01
.5.0000+02 8.2661+04 2.9726+01 -2.5021+01
3.5000+02 8.2.39&+04 2.9285+01 -2.2~9b+Ol
4.0000+02 8~2031+04 2.672.3+01 -2.0354+01
4.500C+02 8.1562+04 2.8li52+01 -1.851B+01
5.0000+02 8.0986+04 2.7282+01 -1.6929+01
5.5000+02 8.0299+04 2.&422+01 -1.554'++01
6.0000+02 7.9501+04 2.5481+01 -1.4329+01
6.500U+02 7.B589+U4 2.4467+01 -1.325B+01
7.0000+02 7.7563+04 2.3385+01 -1.2308+01
7.5000+02 7.6421+04 2.2241+01 -1.1463+01
-5
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-15
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-30
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09 SEP 71
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
2NAN02
N203 + NA20
=
800
TEMPERATURE - DEGREES CENTIGRADE
-------
8 ('ICT. 1971 2NAf.lOc + C02 N2031GI + NA2C03
Tf.M.P£.HATURE ENTHALPY ENTROPY LUG I<
OEG. C CAL./G"iOLE CAL./GMOLE/OEG.K
2.5uOO+01 1.5531+04 6.6114-01 -1,1191+01
5.0000+01 1.556.3+04 9.813.3-01 -1,0310+01
1.0000+02 1.5664+04 1.2720+00 _11.11957+00
1.5UOO+02 1.5803+04 1.6152+00 -7.110/4+00
2.0000+02 1.5.36~+04 5.9667-01 --6.';1651+00
2.5uOO+02 1.5537+04 9.4711-01 -6.i!8.32+00
3.0UOO+U2 1.0753+04 -7.6822+00 -5./7118+00
11.5000+02 1.0945+04 -7.360.3+00 -5,4470+00
4.000U+02 1.1143+04 -7.0544+00 -5,159.4+no
4.5001>.02 1.1346+04 -6,7641+00 -4.';1070+00
5.0UOO+02 1.1.Hl+04 -6.724/+00 -4.b6.36+00
2NAN02 + C02
N203(GJ + NA2C03
10
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800
TEMPERATURE - DEGREES CENTIGRRDE
08 OCT 71
-------
1-
19 !lUG. 1971 2NAN03 = N205 +NA20
TlMP(RATl,RE ENTHALPY ENTROPY LOG K
DEG. C tAL./G~iOLE CAL ./G~WLE./DEG. K
2.5000+0] 1.~?53+05 4.4166+01 -8.0Atl6+01
5.0UOO+1,,1 1.j~93+iJ5 8.&061+01 _-7.3357+01
1.00UO+I:;;- 1.3':'49+05 8.6794+01 -6.091>11+01
1.50CU+02 1.:55905+05 6.5385+01 -5.154U+01
2.lIOOl:+C" 1..:>521+05 8.3774+01 . -4.4140+01
2.50(;()+r~2 1.343U+05 d.194';3+01 -3.8191+01
3.0000+(,~ 1.;::U97+05 7.507~+01 -3.335:J+01
3.5000+0.' 1.2<:39+iJ5 6.1128+01 -2.956~+01
4.C[}(\IHL2 1.;':12.h05 5.<;;33:'+01 -2.63B';i+01
4.500C+I)~' 1..'lilIJ+J5 5.7721+01 -2.:56t'U+01
5.0000i02 1.191.)1+05 5.6261+01 -2.1344+01
5.5000+1.;> 1.:&./<';5i;)5 5.4':130+U1 -1.9309+01
6.0COl;+O:? 1.1L~1+f)5 5.3710+01 -1.752'++01
f..SUrOi!;.' 1.1~:;0+U5 5.~586+01 -1.5941>+01
7.000UiU.. 1.1<,9';'+05 5.1547+01 -1.454~+01
7.50t.:U+O;; 1.:i..:.'j6+:J5 5.05&jiU1 -1.3281>+01
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-15
-2D
-25
-3D
-35
D
19 AUG 71
2NAN03
=
N20S +NA20
BDD
TEMPERATURE - DEGREES CENTIGRADE
-------
8 OCT. 1971 2NI\I~03 + C02 N2051GI + NA2C03
TE"IPEHATUHE ENTHALPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./GMOLl/DEG.K
2.5UOO+01 5.0691+04 4.8511+00 -3.bU95+Ul
5.OUOO+01 6.4102+04 4.8750+01 -3.l696+01
1.0UOO+U2 6,3700+011 11.75911+01 -2.b90,..01
1.5UOO+02 6.3234+011 4.61125+01 -2.l511+01
2.0UOO+U2 6.26A3+04 4.5197+01 "1.~0711+01
2.5UOU+02 n.2U33+,01l 4.309i:!+01 -1.b.32l+01
3.0UOU+U;> 5.9U62+04 3.8470+01 -1.'+1.L2+01
3.5UOO+02 5.0939+04 2.4118.3+01 -1.l5.L.3+01
4.0UOO+U2 5. 03.~9+04 2.3556+01 -1.11911+U1
4.5000+02 11.9885+04 2.290~+01 -1.UUIO+U1
5.0UOO+02 4.9395+011 2.225'++01 -9.U9MII+00
5.5UOO+02 4,B5112+04 2.118::)+ (j 1 -6.l5f1+00
6.0UOO+U2 4,7710+04 2.027.h01 -7.~255+00
6.5UOO+02 4.7076+04 1,9500+01 -f,.~827+00
7.0UOU+0;> 4,6459+04 1.1\6119+U1 -6..)139+00
7.5UOU+U2 4.5919+04 1,830lH01 -5.~U70+UO
o
I-
z:
cr:
I- -5
en
z:
a
u
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...... Ln -10
a: C)
00 C\J
...... Z
-1
...... lL..
::J a
a
w w -15
-1
~ a
a L:
.....
~ II:
t.:) W
a a...
-1
-20
-25
o
08 OCT 71
HR PLOT COMPLETED
SR PLOT COMPLEfED
LOG K PLOT COMPLETED
2NAN03 + C02
N20S(GJ + NA2C03
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 NIIN02)2 = N203 + NIO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 2.3936+011 11.21181$+01 -8.2585+00
5.0000+01 2.3936+011 11.21190+01 -6.901'H00
1.0000+02 2.3967+04 4.2577+01 -4.73111+00
1.5000+02 2.4017+011 11.2702+01 -3.071~+00
2.0000+02 2.11071+011 1I.2tJ23+01 -1.759~+00
2.5LJGG+02 2dl1'HCt\ II .2920+:n -6.955:'-01
3.0000+02 2.3926+04 4.2568+01 1.80211-01
3.5000+02 2.3638+011 1I.2088+Ql 9.0817-01
11.0:'00+02 2.j..'jl+IJII 11.1492+0::' 1.519~+00
4.5000+02 2.2762+04 4.0791+01 2.0360+00
5.0000+02 2.2166+04 3.9996+01 2.1175.3+00
5.5000+02 2.11\62+011 .3.9115+01 2.85Ul+00
6.0000+02 2.0b49+011 3.8156+01 3.1705+00
6.5000+02 1.9725+04 3.7121$+01 3.114111\+00
7.0000+02 1.8689+011 3.6035+01 3.6782+00
7.5000+02 1.7541+04 3.4885+01 3.8772+00
f-
Z
a:
I-
If)
Z
o
U
L: <.b
=:> ~
...... ('I"')
ceo
CON
...... Z
--.J
...... I..L
=:>0
C3
W W
--.J
~o
o L
......
~ce
<.bw
o a...
--.J
09 SEP 71
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
NI (N02J 2
N203 + NIO
=
10
5
o
-5
-10
-15
o
BOO
600
100
TEMPERRTURE - DEGREES CENTIGRRDE
-------
9 SEPT. 1971 NI(N0312 = N205 + NIO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL./GMOLE CAL./GMOLE/OEG.K
2.5000+01 4.4636+04 4.6078+01 -2.2646+01
5.0000+01 5.8050+04 8.9989+01 -1.9591+01
1.0000...02 5.76813+04 8.8947+01 -1.4340+01
1.5000+02 5.7350+04 8.8095+01 -1.0360+01
2.0000+02 5.7044+04 1\.7411+01 -7.2442+00
I'.50UO+U2 5.(,776+04 B.6673+01 -4.732U+00
3.0000+02 5.6320+04 8.6040+01 -2.6710+00
3.5000+02 5.5ij29+04 ij.5219+01 -9.5517-01
4.0QOO+Oc: 5.5303+04 8.4406+01 4.9250-01
4.5000+02 5.4742+04 8.3604+01 1.727ij+OO
5.0000+02 5.4145+04 fJ. ~
...... If)
a: a
CON
"""Z
....J
...... l.L
=>0
a
W W
-J
~o
o ~
......
~a:
CJW
00..
-.J
-5
-10
-15
-20
o
09 5EP 71
HR pLOT COMPLETEO
SR PLOT CO~PLETEO
LOG K PLOT COMPLETED
NI (N03J2
=
N205 + NIO
5
BOO
o
TEMPERATURE - DEGREES CENTIGRADE
-------
L
9 SEPT. 1971 PtHN02)2 = N203 + Pf30
TEMPERATURE ENTHALPY ENTf{OPY LOG K
DEG. C CIIL./GMOLE CAL ./G";OLEIDEG. K
2.5000+01 3.3533+0'1 '1.4010+01 -1.4960+01
5.000C+()1 3.j~5!H04 II. 'I U89+0 1 -1.305IH01
1.0000+02 3.3&21+0u 4.u272+::1 -1. 001::'+Ul
1.5000+02 3.3663+04 4.4378+01 -7.68f.8+00
2.000v+02 3.3b51+u4 4.4353+Gl -5.849/+00
2.5P"J+02 3.~~.;7+J~ 4."l!.<5+01 -'I.365b+iJO
3.0000+02 3.3398+0'1 4.3877+01 -3.145~+00
3.5000+02 3.3134+04 4.3437+01 -2.1272+00
'1.0000+02 3.~771+v'l 4.1::87h+01 -1.2MJ5+00
'1.5000+02 3.2304+0'1 4.2209+01 -5.3781:1-01
5.0000+02 3.1729+J4 4.1441+C1 8.012'1-02
5.5000+02 3.1044+04 4.058'1+01 6.2721:1-01
6.0000+02 3.02'16+0'1 3.9646+01 1.093'1+00
6.5000+02 2.9339+04 3.0634+01 1.4976+00
7.0000+02 2.6.:;1:5+()l). 3.755,++01 1.8'1t!'++CO
7.5000+02 2.7176+04 3.6413+01 2.1531+00
HR PLOT COMPLETED
SR pLOT CUMPLETED
LOG K PLOT COMPLETED
PB(N02)2
=
N203 + PBO
5
I-
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a:
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- 0
o E
....
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-5
-10
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t-'W
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-15
-20
o
800
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
-------
11 CCT. 1971 PB I r~02 ) 2 + C02 N2031G) + PBC03
TP"PEHA TURE ENTHALPY ENTROPY L.OG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
~.5000+01 1.?6f\O+0~ ~.8~28+00 -8.i!353+00
'5.0000+01 1.2697+0~ ~.e9A8+00 -7.:i160+00
1.0000+02 1.281'4+04 5.2050+00 -6..)613+00
1.5000t02 1.2943+0~ 5.5533+00 ..5.'f7U7+00
2.0UOO+02 1.306lftO~ 5.8250+00 --If. 1610+00
?5000t02 1.3139+04 5.9752+00 -4.16?5+00
3.1'000+02 1.3147+0'" 5.9911+00 -3."0')~+00
:'1.5000+02 1.3076+011 5.87:16+00 -.3.,)020+00
4.0u00+C,2 1.~'j17+0~ 5.6299tOO -2.~632+00
~.5000t02 1.2£.65+04 5.2691tOO -2.6759+00
!';.OUOO+02 1.2314+04 4.8009+00 -2.4316+00
!'.5UOOt(i2 1.1!'F.2+011 4.2349+00 -2.223e+00
6.0000tU2 1.1306+04 3.5799+00 -2.0475+00
6.5UOOt02 1.0645+04 2.1J439+0n -1.11985+00
7.0UOu+02 9.8171+0~~ 2.03~3+00 -1.1735+00
7.5000+02 9.0016+03 1.1576+00 .1.6697+00
IIR PLOT COMPLETED
SR PLnT COMPLETED
LOr. K PLOT COMPLETED
PB(N02J2 + C02
N203(GJ + PBC03
10
I-
z:
a: 5
I-
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....... (T') a
a: a
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a a....
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-10
-15
o
BOO
TEMPERRTURE - DEGREES CENTIGRRDE
08 OCT 71
-------
9 SEPT. 1971 PB(N0312 = N205 + PBO
TEMPERATURE ENTHALPY ENTROPY ,LOG K
DEG. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 5.8333+04 4.7600+01 -3.2353+01
5.0000+01 7.1772+04 9.1589+01 -2.8520+01
1.0000+02 7.1443+04 9.0643+01 -2.2031+01
1.5000+02 7.1097+04 8.9173+01 -1.7099+01
2.0000+02 7.0726+04 8.8944+01 -1.3228+01
2.5000+02 7.0325+04 8.8141+01 -1.0115+01
3.0000+02 6.9893+04 8.7352+01 -7.5595+00
3.5000+02 6.9427+04 .8.6573+01 -5.4281+00
4.0000+02 6.8925+04 8.5798+01 -3.6259+00
4.5000+02 6.8386+04 8.5027+01 -2.0847+00
5.0000+02 6.7811+04 8.4258+01 -7.5360-01
5.5000+02 6.7197+04 8.3489+01 4.0555-01
6.0000+02 6.6546+04 8.2721+01 1.'+223+00
6.5000+02 6.5855+04 8.1952+01 2.3199+00
7.0000+02 6.5126+04 8.1183+01 3.1165+00
1.5000+02 6.'+358+04 8.041'++01 3.8271+00
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT COMPLETED
5
I-
Z
a:
I-
(f)
Z
o
u
rG
~ ~
...... In
CCO
CD(\)
...... Z
-1
...... lJ...
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C3
W W
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o r
.....
(58]
OeL
-1
o
-5
-10
-15
-20
o
09 SEP 71
PS(N03)2
=
N205 + PSO
BOD
TEMPERATURE - DEGREES CENTIGRADE
-------
11 nCT, 1971 PBCN0312. + C02 I N205CGI + PBC03
TE ',PEHA TURE ENTHALPY ENTROPY LOG K
0[(,;. C CAL./G~OLE CAL,/G~OLE/OEG,K
?5000.U1 3.74/10+04 8,43?8+00 .2,~628+01
Ii. OOI)O+U 1. 5,0':111+04 5.23':18+01 -2.C!978+01
l,OUOU+U2 5.06?6+04 5,1576+01 -1,1:1377+01
l,5uOG+02 5.0376+04 5.0948+01 -1.'*883+01
2.0iJOO+02 5.(1138+04 5,0416+01 -1.C!140+01
2.5lioo+n2 4.C)!~CJ7+04 4,9931+01 -9,':1315+00
:I.0I.I00.U2 4,9642+04 4,9467+01 -8.1176+00
='.51.1I)U.02 4.93&F.+04 4,9U09+01 -6,bU?9+UO
'I.OLon+02 4,9071+04 4.'1550+01 -5.~2U7+0U
4.5uGO+O;:? 4. F.74U+04 4,130137+01 -4.C!2?7+UO
5.0UOU+02 4,1\39&+04 4,7617+01 -3,C!7~:I+OO
~,5UOO+02 4,6U15+04 4,7140+01 -2."4~5+00
F..,OGOO+02 4,7(,(14+04 4,6655+01 -1,/11;\6+00
",,~U(lG+G2 4,711';2+0'1 4,61~3+01 -1,U7F.2+00
7,OUOU+U2 4,6(,/)8+ 0'1 4,5"'6'++01 -5,U535-01
7.5UOO+02 4, 6184+0'~ 4,';]511+01 4,~202-03
~
z:
a:
~ -5
en
z:
0
U
L ~
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...... If) -10
cc 0
CD ("\J
...... z:
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...... lL.
::J 0
C3
W w -t5
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~ 0
0 L
.....
- cc
~ w
0 CL
.-J
-20
08 OCT 71
HR PLOT COMPLETED
SR PLOT COMPLETED
LOG K PLOT CO~PLET£D
PB(N03J2 + C02 - N20S(GJ + PBC03
o
BOO
-25
o
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 SNIN0314 = 2N205 + SN02
TEMPERATURE ENTHALPY ENTROPY LOG K
OEG. C CALoiGMOLE , CAL ./GMOLE/DEG. K
2.~000+01 1.6953+04 5.4502+01 -5.1536-01
5.0000+01 3.0392+04 9.8490+01 9.7123-01
1.0000..02 3.006~+04 9.7544+1;1 3.711U+00
1.5000+02 2.9717+U4 9.6674+01 5.780U+00
2.0000+0:,> 2.9340+04 S'.5846+,)1 7.~921+00
2.5000+02 2.8945+04 9.5042+01 8.6791+00
3.0000+02 2.b513+04 S'.4253+01 9.7264+00
3.5000+02 2.8046+04 9.3473+01 1.0592+01
4.0000+02 2.7544+04 9.2699+01 1.131&+01
4.5000+02 2.7233+04 9.2260+01 1.193~+01
5.0000+02 2.bb~)7+04 9.149U+01 1.24~'::I+01
5.5000+02 2.6043+04 9.0721+01 1.291~+01
6.0000+02 2.5392+04 8.9953+01 1.330~+01
6.5000+02 2.4701+011 8.':1184+01 1.364~+01
7.0000+02 2.3';172+04 8.£>415+01 1.393':H01
7.5000+02 2.3203+04 8.7645+01 1.41911+01
I-
Z
a:
I-
c.n
z
o
u
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=> ~
~ Lf)
a::. 0
CON
"""Z
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...... LL
:::::>0
C3
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~ 0
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....
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c)w
o a...
--.J
09 3EP 71
HR PLOT COMPLETED
SR pLOT COMPLET£D
LOG K PLOT COMPLETED
SN(N03J4
2N205 + SN02
=
L5
to
5
o
-5
-to
o
BOD
TEMPERRTURE - DEGREES CENTIGRRDE
-------
9 SEPT. 1971 SK(N02)2 = N203 + SRO
TEMPERATURE ENTHALPY ENfROPY LOG K
DE.G. C CAL./GMOLE CAL./GMOLE/DEG.K
2.5000+01 6.126'1+04 '1.'1900+01 -3.5090+01
5.0000+01 6.1<189+04 '1.'1985+01 -3.161&+01
1.0000+02 6.1352+0'1 '1.5168+01 -2.60&U+01
1.5000+02 6.1;'9'1+0'1 '1.521'1+01 -2.1812+01
2.0CCtJ+C';:> ~.l;::;~~+OlJ Lt.::249+;)1 -1.846;2+01
2.5000+02 6.1298+04 4.5081+01 -1.575'1+01
3.0000+02 6.1129+0'1 4.'1773+01 -1.3523+01
3.5000+02 6.0865+04 4.4334+01 -1.165&+01
'1.0000+02 6.0502+04 4.371'1+01 -1.0U75+01
'.5000+U2 1',.:1035+04 4.:nU&+;)1 -8.7223+00
5.0000+02 5.9'160+04 4.2338+01 -7.55'13+00
5.5000+02 5.8716+04 '1.1481+01 -6.539U+00
0.0000+02 5.7':J80+04 4.1.1543+01 -5.6!)1~+OO
6.5000+02 5.7070+04 3.9531+01 -'1.8712+00
7.0000+02 5.6047+04 3.8451+01 -4.1831+00
7.5000+02 5.'1906+04 3.7310+01 -3.5741+00
HR PLOT CO~PLETED
SR PLOT COMPLETED
LOG K PLDT COMPLETED
SA(N02J2 = N203 + SAO
o
I-
:z
cr: -5
I-
(f)
Z
a
u
~ G
::) ~
1-0 (I") -10
a: a
CO(\J
1-0 Z
~
1-0 LL
::;) a
a
UJ UJ -l5
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a ~
~ a:
CJ UJ
a CL
~ -20
-25
o
09 SEP 71
BOD
TEMPERRTURE - DEGREES CENTIGRRDE
-------
11 r.CT. 1971 SRIN0212 + C02 I N2031GI + SRC03
TEI.1PERATUR( ENTHIIl.PY ENTROPY LOG K
DEG. C CAL ./GMOl.E CAL./GMOLE/DEG.K
2.'5000+01 5.0293+03 2.4404-01 -3.63~0+00
5.0000+01 5.0682+03 3.6874-01 -3,~"68+0D
1.01.100+02 5,1771+0:'1 6.8153-01 -2,11830+00
1.51J00+02 5.n01l+03 9.4186-01 -2.~212+0U
2.000U+O? 5.34:'3+03 1.0813+00 --2, .'5UOO+t'?' 5.341.2+03 1.00U3+00 -1.'1951+00
3.000U+02 5.2652+03 9.3902-01 -1.IIUI6+UO
:'I.5UOU+02 5.0990+03 6.6537-01 -1,6428+00
11.0000+02 4.84;:>3+03 2.7009-01 -1.:1130+00
4.5000+02 4.11888+03 -2.3568-01 -1,'+1.1110+00
5.0000+1.12 4,030:;4+03 -8.4126-01 -1.~245+00
5.5000+02 3,4791:1+0:! -1,5368+00 -1, ~
- (Y") 0
cc a
CD ('.J
- Z
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- I.J.... ------
=> a
(3
w w -5
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~ a
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~ cc
~ w
a CL
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-10
-15
o
BOO
TEMPERATURE - DEGREES CENTIGRADE
08 OCT 71
-------
19 AUG. 1.971 SI{IN03)2 = N205 +SRO
TE.~;PERATURE ENTHALPY ENTROPY LOG K
DEG. C CI\L./G~'OLf CAL./G~OLE.lDEG.K
2.5000+01 9.576'++04 4.9296+01 -5.9418+01
5.0000+01 1.U923+05 9.3382+01 -5.3'+62+01
1.LOOO+02 :t.U~02+U5 9.2772+01 -'+.357'++01
1.~OGC+02 1.U[~8~+;)5 9.~:2n+01 -3.bU36+01
2.0000+02 1.0662+05 9.1829+01 -3.010~+01
2.5000+0<, 1.U63b+05 9.1337+01 -2.5312+01
~.(j()(:U+1I2 1.0bOb+u5 9.1J793+01 -2 .13£:t!+ 0 1
3.5000+02 1.U712+05 9.U19(;+01 -1.806b+U1
'1.0000+(;2 1.CJ729+U5 8.95210+01 -1.52f>t.+01
4.5000+02 1.Ub1b+U5 f..eeC.)+01 -1.286.6+01
5.0000+02 1.0t.>20+05 8.u023+01 -1.07E11+01
5.500U+0;2 1.0553+u5 8.7191+01 *8.963b+OO
6.0000+02 1.0'179+05 8.6309+01 -7.36'1£>+00
6.:'000+02 9.329,)+U4 7.3777+01 -5.963~+00
7.0000+u;> 9.2j79+U4 7.21;08+01 -4.8340+00
7.5000+0;> 9.1373+04 7.119'ir+01 -3.825~+00
o
.....
z
a:
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en
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a:o
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-5
-10
-15
-20
-25
o
19 AUG 11
SR(N03)2
=
N20S +SRO
BOD
TEMPERATURE - DEGREES CENTIGRADE
-------
11 neT. 1971 SR(N03)2 + C02 , N205(G) + SRC03
Tr.~P(RATURE ENTHALPY ENTROPY LOG t<
DEG. C CAL./G"'OLE CAL./GMOLE/DEG.K
~.5000+01 3.9529+04 4.6340+00 -2.1961+01
~.00(lO+01 5.3013+04 4.8166+01 -2.5193+01
1.~uQO+02 5.21\46+04 4.8206+01 -2.U397+01
'.500(j+O~ 5.:?711+01~ 4.1959+01 -1.0144+01
::>.0000+02 5.251\3+04 4.1661+01 -1.~811+01
::>.5000+02 5.2421+04 4,7336+01 -1,1553+01
3.0UOC+02 5.2214+04 4.6':159+01 -9.0463+00
3.5000+0::> 5.1952+04 4.65::>2+01 -8.0526+00
4.0(100+02 5.1628+04 4.6022+01 -6.fO,s3+UO
4.51i!)O)+l1::> 5.1237+04 4.'1462+01 -5.:)486+00
5.0UOIl+02 5.0174+011 4.11844+01 -4.::1515+00
5.5000+02 5.0239+04 4.4113+01 -3,0842+00
6.0000+02 4.962e+01l 4,3453+01 -2.':1249+00
f>.5000+G2 3.821'5+011 3.1083+01 -2.21UII+OU
7.0UOO+0::! 3.7521+04 3.0277+01 -1.1:I092+uO
1.5uOO+u2 3.f>b18+04 2.943,s+01 -1.4019+UO
~
z:
a:
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en
z:
a
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a: C)
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--. z:
-1
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w w -15
-1
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a CL
-1
-20
-25
a
08 OCT 71
tfR PLOT COMPLETED
SR PLOr COMPLETED
LOG K PLOT COMPLETED
SR(N03J2 + C02 - N205(GJ + SRC03
a
BOO
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 ZN(N0212 = N203 + ZNO
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL oIGMOLE CAL./GMOLElOEG.K
2.5000+01 2.000'H0~ ~.3~02+01 -5.1770+00
5.UOOO+01 2.0028+0~ ~.3~81+01 -~.0421+00
1.UOOO+02 2.U092+0~ ~..366~+01 -2.22~~+00
1.5000+02 2.0134+0~ ~.3169+01 -8.3251:1-01
2.0000+02 2.0122+0~ ~.37~5+01 2.6617-01
2.5000+02 2.0031+04 4.3516+01 1.152':1+00
3.0000+U2 1.91:161:1+0~ ~.3261:1+U1 1.88U'H00
3.5000+02 1. 960~+0~ 4.2828+01 2.~8~5+00
~.0000+02 1.92~1+0~ ~.2269+01 2.9906+00
~.5000+02 1.8174+0~ 4.1600+01 3.4178+00
5.0000+02 1.8199+0~ ~.0832+01 .3.179~+00
5.5000+02 1.1515+04 3.9915+01 ~.0862+00
6.0000+02 1.6718+0~ 3.9031+01 ~.3~67+00
6.5000+02 1.5809+0~ 3.U02~+01 ~.56H+00
1.0000+02 1.~11!5+0.. 3.69~5+01 4.7537+00
1.5000+02 1.36~6+0~ 3.5804+01 ~. 909';1+0 0
HR PLOT COMPLETED
SR PLOT COMPLET[D
LOG K PLOT COMPLETEO
ZNCN02J2
=
N203 + lNO
LO
~
z:
ex:
~
en
z:
a
u
:rG
::>~
.....(1")
a:a
(DC\!
..... z:
-.J
.....lL.
::>0
C!J
W W
-.J
...... a
a x:
......
5
o
-5
~a:
CJW
a a....
-.J
-LO
-L5
o
800
TEMPEHRTlJAE - DEGREES CENTIGRRDE
09 SEP 71
-------
1__-
9 SEPT. 1971 ZNIN0312 = N205 + ZNO
TEMPERATURE ENTHALPY ENTROPY LOG K
U[G. C CAL./GMOLE CAL./GMOLUDEG.K
2.5000+01 3.4924+04 4.6992+01 -1.5328+01
5.0000+01 4.6362+04 9.0981+01 -1.282~+01
1.0000+02 4.80.3'++04 9.003!J+01 -8.454!J+00
1.!JuOO+02 4.7087+04 8.916~+01 -5.1420+00
2.0000+02 4.1317+04 8.8337+01 -2.5491+00
2.5000+02 4.6Y16+04 8.7~34+01 -4.688~-01
3.0000+02 4.6484+04 8.6145+01 1.233.3+00
3.5000+02 4.6018+04 8.5965+01 2.6480+00
4.0000+02 4.5516+04 8.5191+01 3.8410+00
4.5000+02 4.4978+04 8.4420+01 4.8568+00
5.0000+02 4.4402+04 8.3650+01 5.13U4+00
5.5000+02 If. 3-/~8+04 8.2882+01 6.4876+00
6.0000+02 4.3137+04 8.2113+01 7.148!J+00
6.5000+02 4.21+46+04 8.1345+01 7.7287+00
7.000o+U2 4.1717+04 8.U~7b+01 8.2407+0U
7.5000+02 4.0949+04 7.9800+01 8.69'1'1+00
I-
Z
a:
I-
en
:z
o
u
~G
::J ~
..... Lf)
a:O
(DC\I
.....Z
.....J
..... u..
::J 0
QI
W W
.....J
~ 0
o ~
......
~ a:
c.!:Jw
OeL
.....J
09 SEP 71
HR pLOT COMPLETED
SR PLOT COMPLETlD
LOG K PLOT COMP~ET[D
ZN(N03J2
N205 + lNO
:::
10
5
BOO
o
-5
-10
-15
o
TEMPERATURE - DEGREES CENTIGRADE
-------
9 SEPT. 1971 ZRIN0314 = 2N205 + ZR02
TEMPERATURE ENTHALPY ENTROPY LOG K
DEG. C CAL../GMOLE CAL../GMOL.E/OEG.K
2.5000+01 5.7052+04 5.4761+01 -2.9849+01
5.0000+01 7.0490+04 9.8749+01 -2.608~+01
1.0000+02 7.0161+04 '3.7803+01 -1.9716+01
1.5000+02 6.9815+04 9.6933+01 -1.4872+01
2.0000+02 6.';:1444+04 9.6104+01 .-1.1072+01
2.5000+02 6.9044+04 9.5301+01 -8.0146+00
3.0000+02 6.8611+04 9.4512+01 -5.5061+00
3.5000+02 6.8145+04 9.3732+U1 -3.4140+00
4.UOOO+U2 6.7643+04 9.2~51+01 -1.6452+00
4.5000+02 6.7104+04 9.2186+01 -1.3268-01
5.0000+02 6.6528+04 9.1416+01 1.173.HOO
5.5000+02 6.5915+04 9.U647+01 2.3104+00
6.0ClOO+02 6.5263+04 8.';:1879+01 3.307/+00
6.5000+02 6.4572+04 8.9110+01 4.187':1+00
7.0000+02 6.3843+04 8.8341+01 4.%8~+00
7.5000+02 6.3074+04 8.7571+01 5.6654+00
HR PL.OT COMPLETED
SR pLOT COMPLETED
LOG K PLOT COMPLETED
ZRCN03)l!
=
2N205 + ZR02
5
I-
z:
cr:
I-
en
z:
o
u
o
-
~c.!)
::J-
- I.f)
CI:O
IDN
- z:
-J
-I.L.
::J <:)
C3
W W
-J
- <:)
DL:
......
~ a::
c.!)w
o Q....
-J
-5
-10
-15
-20
o
TEMPERATURE - DEGREES CENTIGRADE
09 SEP 71
800
-------
, 1 ('\CT. 1971 ZR (N03)1+ + 2C02 ' 2N205 + ZR(C0312
TF.'\~PERATIJRE ENTH/ILPY ENTROPY LOG K
OEG. C CAL./GMOLE CAL./Ga.,OLElDEG.K
2.5000+01 3.0'+55+0'+ 1.0161+01 -2.0087+U1
5~f)OOO+U1 '+.3/j('6+0'+ 5.'+126+01 -1.18~6+01
1.000':>+U2 '+.351\1+0'+ 5.3305+01 -1.~1\1'++01
1.5UO"+02 4.3331+0/+ 5.2675+01 -1.u867+01
?OUOG+0;> 4.~(;93+0/, 5.2143+01 '-8.~U!!1+UO
;>.500U+1\2 4. 2e~1+ 0'+ 5.1658+01 -6.6110+00
3.00 I) 0 +l~ 2 4.2597+04 5.11~3+01 -5.U539+00
3.SUOO+02 '+.23;>3+04 5.07~5+01 -3.'541+00
'+.COOO+02 '+.2U25+04 5.021fi+01 -;>.&560+00
4.5QOO+02 '+.1702+04 '+.'J!!13+01 -1. (162+00
'i.OOOO+O;> '+.1350+0'+ '+.93113+01 -9.U452-01
"'.500J+lJ2 4.(\'0'69+0,+ 4.81365+(,1 -1.'171'+-C1
G.0000+02 '+.0557+04 4.A380+01 4.~2U7-01
6.5UOO+U2 4 . r 11.5 + 0 4 4.781\7+01 9.&'1'16-01
1.0000+1)2 3.9641+04 4.731'.8+01 1.4541+00
7.5uOO+02 3.9136+(14 4.651'2+01 1.tlIJ64+00
~
z:
a: 0
~
en
z:
C)
U
2: G
::J ~
....... lJ") -5
II: a
CD ("\I
....... z:
-!
....... u..
::J a
aI
w w -10
-!
--- C)
C) ~
.....
~ II:
~ W
a CL
-! -15
-20
o
08 OCT 71
HR PLOT COMPLETED
SR PLOT CO~PLC1ED
LOG K PLOT COMPLETED
ZR(N03Jij + 2C02 -
2N205 + ZR(C03J2
5
800
TEMPERATURE - DEGREES CENTIGRADE
-------
Radian Corporation
8500 SHOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN. TEXAS 78757 . TELEPHONE 512/454.9535
TECHNICAL NOTE 200-007-16
LISTING OF SUBROUTINES FOR
THE GAS PHASE EQUILIBRIUM MODEL
13 January 1972
Prepared by:
Terry B. Parsons
T. I. Strange
CHEMICAL RESEARCH. SYSTEMS ANALYSIS. COMPUTER SCIENCE. CHEMICAL ENGINEERING
-------
Radian Corporation
8500 5HOAL CREEK BLVD. . P. O. BOX 9948 . AUSTIN. TEXAS 78757 . TELEPHONE 512 - 454-9535
The following pages are listings of the subroutines
GASEQS, INIT, GPEQS, GPARTL, and GTEMP. These subroutines
were written to calculate the concentrations of NO, N02, N203,
N204, N20s, H20, HNOa and HN03 present at equilibrium under
specified conditions of total pressure, temperature, and
number of moles of chemical NO, NOa, and HaO. The detailed
problem definition and a description of the method of solution
are given in Technical Note 200-007-03a.
GASEQS calls the subroutine NOLIN which calls some
additional subroutines. NOLIN and the additional subroutines
needed for using the gas phase equilibrium model have already
been published in a Radian report entitled "A Theoretical
Description of the Limestone Injection - Wet Scrubbing Process."
Volume II, Final Report to NAPCA, Contract No. CPA-22-69-l38
9 June 1970. The report is available through the National
Technical Information Service, Operations Division, U. S.
Department of Commerce, Springfield, Virginia, 22151. The
order number is PB 193-030.
-------
00011
00021
00031
00041
00051
00061
00071
00081
1\"091
1)0101
0011 1
O':ll::!'
00131
001'+1
00151
(1(1161
00171
001111
(10191
00201
00~11
00221
:10231
00241
00251
0"261
00271
002111
00291
00301
00311
00321
01133.
00341
00351
(1)361
00371
0128'
OP91
01301
01311
01321
013.31
01:HI
111351
013':' 1
11371
n1381
!", 39 I
01,+0'
"1411
111112.
01'13'
01'1'~ I
('11"51
01'H.'
01'171
0]'1 (I'
01'191
nlS0'
01.511
01';?'
015.31
01 !:>'+ 1
::15'3'
0156.
0157'
(1151\1
r115Q,
nlF-OI
01(,]1
Clf,:?'
Og3.
Subroutine INIT
@1 FOR PHT
SUdROUTINE INITIX,C~,P)
CO~~ON/rUNC/FI50I,CKI~0I,CTI101
DIMENS10N XI1I,CMl11
C
OEFIN~ GTEMP(1)=EXPICKII»
C
IFICM(1).Ll.0.01 GO TO 2
ESTMUL = CMI11+~MI~)+Xlli
XI21 = CMI1)/ESfMOL
X(.3) = CM(2)/ESTMOL
X(101=1./P*IXI~I/IGTEMPI61.XI2111**2
4 CONTINUE
XI'+) = X(21*X(3)*P*GTEMPI2)
XI~I = XI31*XI3,*p*GrEMP(1)
X(6) = CMlj)/ESTMOL
X(7) = S~HT(XI41*xI6)*GTEMPI4»
XIBI = X(S)*XI61*GTEMPI31/)17)
X(~I = XI51*XI31/GTEMPISI/X(2)
00 1 1=2,10
IrIX(II.LE.O.) XII)=1.E-.37
1 CONTINUE
HEIUHN
2 CONTINUE
RIIT=CMI21/CMI11
, IFIRAT.GT.-.3.0) GOTO 3
XI31=(~M(2)+CM(11)/ESTMnL
X(10)=-CM(11/(2.0*ESTMOLI
XI21=S~RT(P*XI1UII/XI31/GTEMP(61
60TO 4.
3 CONT !NUE
p~ fN r 10 n .IVI T
100 FOHMATI/15X,'HATIO OF Cr!02 TO CNO GREATER
*CALLY IMPOSSIBLE, RATIO = ',El0.~I/1
CIILL EXIT
K( ruHN
DIU
THAN -3.0 WHICH IS PHYSI
Subroutine GPEQS
aI! FOR c;t"E!JS
SU3HQUTINE GPlQSlwl
CO~MON IF uNCI FI50l'CKI50l,CTII01
C0~~DN IGAS/ PLN.FUCFCS':II,THCI01
CO~~UN/LI~S/NF.~L
OI~ENSION W(1).X(50I,[!J(501
UOJOLl PRECISIUN F,CK,CT,W.X,EQ,PLN,FuCr,TH
C
DEFI~l YIJI=EXPIXIIII
c
00 1 I=l.NF
.;=1+1
XI.;)=..IJ)
1 CONTINUE
IFIN~.EQ.AI XIIOI=-88.
IF(XI1UI.Gf.O.OI XI1UI=O.O
C
'[P(1)=CK(11+PLN+2*FUCFI3)-r~CFI51+2*XI31-XI51
[Q(2)=~K(21~PLN+FUCFI21+FUCF(31-FUCFI41+XI21+XI31-XI41
EQ(31=CKI3)+FUCF(5)+FUCFC61-FUCrI71-rUCFI81+XI51+X(61-XIJ)-X(8)
E~(4)=CKI4)+FUCF(4)+FUCF(61-~*FUCF(71+XI41+X(61-2*XI71
EQ(8)=tK(51+FUCF(2)+FUCr(9)-FUCFI51-FUCF(~I+X(2)+XI9)-X151-X131
E~C 9)=C~(6)+FuCIC?I+.5.FUCT(]nl-rUcrl~I+XI21+.5*XII01-XI31~,5.PLN
TH(1)=Y(4)+Y(~I+.~.YI7)+.5.Y(H)+1.+YI91-YIIUI
TII(21=Y(3)+2., (~)+YC4)+.5*Y(7)+1.5*YC8)+3*Y(91+.5*YI1n)
EQ (5) =C T ( 1 HLOG ( 'If C 1 ) ) -LOG ( 1 H (2 I I
TIf ( :3 I = Y C<~ ) + y ( .3 ) + '" or ( '+ ) + 2. Y ( ~ ) . Y I 71 + YI U I +2. Y 191
(Q (6 I =C T I 21 +LOG (TI/ (1) I-LOG ( f tf (.311
TH(4)=Y(.3)+2*YC~)+Y(4)+YI6)+Y(71+2.YI81+.3*Y(9)+.5*YII0I
EQI7 )=CT( 31 +L.Dt; I TH( 1)) -LOGI TII14 I I
C
un 2 J=] ,~'F
FIII=((,I(J)
2 cl1rn !NuE
HEIlIIW
£"u
NO
N02
N203
N204
H20
HN02
HN03
~20S
-------
~O'3AI
1'10391
00"01
~n41'
01'l4?1
001131
00441
00451
Oo,!ed
001111
004(11
00..91
00501
0051 I
01)521
00531
00'541
00551
0056'
n0511
(\0')81
1'1(\5')1
1'10601
n0611
1'106;>1
0063'
/'1('641
00(,51
00661
00f'>11
OO~R'
O%'?'
01'1701
non'
1'1.1721
on7~'
11(!14'
00151
" C 7t"
".1'1111
1)')791
01'1191
11,';\0 I
001311
1)01321
001.'31
n('(,4 ,
_I'IOqSI
1'10861
nl1011
onaol
001)91
00'101
nn'l11
01)921
on~I
1)1241
1'1\251
o 1? Cd
1'11;>71
Subroutine GASEQS
&)1 FOf{.l~ASL(,JS
SUBKOUTINE GASE(,JS(X,CM,P,TK,IOPTI
cn~MON IFUNC/f(50I,C~15nl,ClI101
cn,\1r-WN If,AS/PLN,FUCF (~O I, Ttlll0 I
cn~K0N/LTwS/NF,NL
EXlfRNAL GPfUS,GPARTL
UI~[NSlnN XC1I,CMlll,LBI601,
*xLNC::.U)
OOUULL PRECTSIUN F,CK'CT'Pl~'FUCF,TH,XLN
LJAIA (lUCII'I=l09I1'IIIERTS','NO ','N02
*'H20 ','Hr.j02 ','ttNO.5 ','rJ205 'I
OATA LU(101/'02 'I
OATA FUCF/50*U.1
','N2005
','N20..
, ,
C
r~F=n
IFIIOPT,rIE.OI fJf=9
E:P5=1.E-'I
C
CALL GTEMPITKI
C
CALL INIT(X,CM,PI
PLN=LOG(PI
SCJ=CMI]I+C~(21+CMI31
CTI11=LOG(CMI21/CXI11+SCJII
CT(2)=LCGICCMI])+CM(211/CXC]I+SCJII
CTC.5)=LOGCCCHI21+CMC~II/(XI11+SCJII
c
NM=r~f'-l
NL=rJF+1
00 1 I=],NM
J=I+l
XL~CII=lOGCX(JII
1 Cn~ITINUE:
"RlT£16,]OOI
C~LL O/\TIM£
rc=TK-27.5,16
,:QJTElb,10n TC
,IRITECh,l0.51
~RITElb,10'l1 IC~III'I=1,3I,P
,!RlTt:16,]OSI
.,fUTLlbolOC)
] 00 FOK"IAl (lHl)
]01 FOK~Al(L5X,A6,6X,lPE12,~,5X,IPE12.5,1X,lP[12.5,1X'lP(12.51
C
C
102 FOK~AT(115X,'TOTAL MOLES = ',lPE12.5,20X,'RESIOUAL (RROH =',lP(12.
*51
103 FORMATI'I2X,'INPUT MOLLS'/I
104 FORMAT(\OX,'NO = ',]P£11.5,5X,'N02 = ',lPEll.5,5X,'H20 = ',1P£11,5
*,~x,'p"rSRURE = ',lPE:l1,5,' AT~,'IIII
105 rOKIlfATI40X,'GAS PtIAS£ [rJUILHiRIA'11I
106 FGKIlfAii4~X' 'MOLE:',T67,'PARTIAl',T86,'FUGACITY'/15X,'COMPONENf',
* T32"~OLES',I'!~"FR~CTJON',1~7"PR(SSUR(',TH6"COEFFIE:N
*T'/)
101 FDRMATC1H+,70X,'TEMPLHATURE',FIO,3,' O£G C.'I
108 FO~IIfATC27X"NOKMALIZEO MATERIAL BALANCE ERROR =',lPE12.51
CALL NOLINIXLN,NF,t:PS,GPEQS,GPARTL)
C
DO 2 I=2,Nl
J=I-1
XCII=(XPCXLNCJII
2 CONTINUE
T~=IXI11+SCJl/11.+XI")+X(bl+.~*XI11+.5*Xlij)+X(91.XI101I
FU=EXP (FUCF 11»
F"=X C 111TIII
pp=n,*p
wR~TE(6,1011 LBC1I,X(1I,FM,PP,FU
c
C
00 5 I=2,NL
X"=X(II*TIIf
/>P=Xll1*P
FU=t:xP(FUCF(III
NRITE(b,10ll L6(II'XM,X(I),PP,FU
5 CONTlt~Ur.
Sl"'=O,
DO 4 I=1,}JF
SU\1=SUM+Fll)*FIII
'I cnNTINur
R[=SU,'1
WRIT£C6,102) TM.RE
SUIIf=FM
Of) :3 I=2,Nl
SU\1=sur~+x (1)
3 CO'lTlNU[
EM6:::ICM(1)+CMI21-TM*IX(21+xIo51+2.*xlljl+2.*XI51+X(7)+X(81+2.*X(9111
*/CClllI11+C''(21)
wRITLCb,10UI EMe
HElUKN
t.;;1[)
-------
016111
fl1651
r.1661
01671
(\1681
1116'31
r.1701
r1711
(\1721
01731
1117111
/11751
01761
01771
01781
017'31
01801
01/311
0.1 fl2 1
r.1831
018111
011)51
011\6'
~1 'HI
o HH3I
018'31
01'10'
01 '311
01.'321
1')193.
019'+1
01951
/1191>1
01971
01 ')8 I
111991
r.;>nol
"::>0.11
02[121
~2~3'
O:!OIlI
0;>051
(1;>06'
"2071
0208'
(\209'
02101
0;>111
(\:>121
0:!131
0:>1111
0:?151
n;>161
02171
0:>11\1
0219'
(\2201
0?211
(';>221
02231
11:>2'+ ,
0??51
O?261
0227'
n:?281
0::>291
(\;>301
02311
0;>321
/123:'\'
"23111
0;>3~1
02,~61
0237,
023/J1
0::>391
0;>'10 I
0241.1
0;>'+21
024:'\1
fl211'11
0?'I51
02'161
S\.brou tine GPARTL
0)1 F'OR GPARTL
SU~ROUTINE GPAHTLlwl
CO~~ON /FUNC/FI501,CKI5f1I,CTI'01
cn~MON/GRAU/POI50,5UI'A~15U,501'SQI501
CO"MON /GAS/PLN, FUCF 1 SU I, Tit 1 III 1
C(l~MON/LIMS/NF,NL
DI~ENSJON ~lll,XI~OI,GUI50,501
OO~AL~ PR~C1SION F,CK,CT,PD,AS,SQ,PLN,FUCF.TH.W.X.GD.BR
C
OEFIN~ YII'=EXPCXlll'
C
IF I rJF ,l(), II 1
00 1 1=1,/.)1"
00 2 ..1=1,,'11"
GOll,..II=O.
2 CONTINUE
..1=1+1
xIJI=WCI'
1 COIlJT1 NUE
XC 10'1=-b8.
C
GOll,31=-2,
G0(1,51= 1,
GOI2,21=-I,
GOI2,jl=-I,
GOI2,'+'= 1.
GDI3'5'=-I,
GOlj,E.I=-l.
GO(3,7)= 1.
GOI3,81= 1.
GOIII,II'=-I,
GOI'+,61=-I,
GOIII.7I= 2,
G['\18,2)=-I,
GOI8,9)=-I.
GOlfl,SI= 1,
GC.c8,31= 1.
G['\I 90101=-.5
GOI :/,3)=+1.
GOC 9,21=-1.
C
fjl(=THIlI
00 3 1=5.7
GOC1.III=-Y(III/OR
Gn(1,S)=-YI5)/OH
GOCI.7)=-.~*Y(71/BR
GOII,8)=-.5*Y(B'/BR
GOII,IUI=Y(10)/tlR
GOCI,~I=-YI~I/8R
3 Cf1NTINUf.
BR=rlj(cl
G[)(~,j)=YCj'/UH
GnC~,III=GDC5,'+I+YIHI/BR
GDC5,~I=Gnl~,5)+2.*YI51/0R
GD(5,71=G015,71+,~*YI71/fjR
GnC5,e)=G)(~,~I+l.~*YI")/OR
GOI5,9)=G1C5,9)+3*'(~I/B~
GOI5.1u'=GUI5,lO,+.5*Tll0./BR
F;R=rltl.))
GO(b,2)=YI21/f3H
GOII>,3)=T(3/1UR
GOC6,III=GOCb,II)+2,*YC~1/8R
GOf&,51=r.O(6,5'+2,*TISI/BR
GOI6,71=G~C6.71+YI71/uN
Gn(6,/J)=G~C6,61+rI8)/UR
GC(6,9)=G~(6,9)+2*Tf9)/~R
uR=Td(,+1
GOC7,3)=Yl31/tm
GOC1,41=GOI7,II)+YCIII/uN
GOI7,5)=GOI7,5)+2.*YI51/0R
GPI7,~I=T(61/UH
GOI1,7J=r.OC7.11+Ylll/UN
GO(7,tl)=G017,tll+2.*YIH)/OR
GO(1,9)=GO(7,9)+3*TC9'/UR
~D(7,lUI=GUC1,101+,5*T(lOI/BR
C
00 II 1=I,NF
00 5 ..I=I,f
-------
02411
02481
02491
02501
02511
02521
n253'
0254'
0255.
02561
020;7'
020;61
02591
02601
02611
02621
02631
02641
02651
('2661
r:o?~1'
0::>68,
0;:>69'
0::>10'
02711
02721
02131
02141
0;>751
02761
01'771
0:>'781
02791
I):>.~O'
0281.
o 2MI
02831
O?~41
02851
0286'
02871
0288,
028'H
Subroutine GTEMP
@I FOR GI£i'lP
SUL\thJulIr;( GTEMI-'( TK)
CC~MUN/FuNC/FC5U).CK(5U).CT(10)
DOUOL~ PR~CISIUN F.CK.CT
DI~ENSION A(lO).B(lO);CCI0).DCl0).£(10).G(10)
UIMENSI0N LHC6.4).EK(6)
UftiA (LACl.JJ.J=I.4)/24H 2*N~2=N204 1
DATA CLUC2.JI.J=1.4)/24H N0+N02=~20~ 1
U.IA (LRC3.J).J=1.4)/24H N204+~20=HNU2+HN031
D~TA (LOC4.J).J=1.4)/24H ~~03+H20='*HN02 1
DATA CLOCS.J).J=1.4)/24H NOtU2U5=N2U4+N02/
DArA CLBC6.J).J=1.4)/24H NO+l/2.02=~O~ 1
DATA(£KCI).I=I.6)/6.82U~6,.507022.5.732A4£-3..644635.5.24517E9,
*1.51920[+61
DATA (ACI),I=I,6)/-81.527,-56.918.66.013,4.109,31.199,-18.122/
DATA (U(T)'I=I.6)/~.57.3.21.-8.9.-.78,-4.92.-.035/ .
DATA (CCI).I=I.b)/-2.365E5.-1.695£5.2.373l5.-.29[5.1.99£5.-.735E51
uftrA (UCJ).J=1.5)/lb.~31E3.11.724(3,-~.6blE3,-.2~39£3,l.151~~E4/
OftTA O(b)/l.413H2E4/
DftTA (L(I),I=I,5)/-6.8E-4,-4.55E-4,27.25E-4.4.5£-4,.001525/
OftTA E(6)/4.5E-~/
DATA (GCI).J=I,b)/O.,O., 7.667£-8. 7.667£-8,0.,3.0£-8/
IFCTOLU.EQ.TK) HE TURN
R=1.98726
TKS=I"*TK
wR1T(C6.101)
TC=TK-273.16
~vRITt:Cbo102) TC
"RIT[Cb,103)
wRlTt:(6.104)
100 FOKMATC20X,4A6.2C5x.1P£12.5)/)
101 FORMATC1HlI
102 FOKMATC41X,'TEMPERATUKE ',FI0.3,' O£G, C'/)
103 FORMATC45x,'£QUILIBRIUM CONSTANTS'/)
104 FOR~AT(31X, 'REACTION"T53,'K(TEMP.)',T70,'K(25 C.)'/)
DO 1 1=1,6
CK(I)=(A(I)+O(l)*LOG(TK)+C(I)/TKS +D(l)/TK +£(I)*TK+G(I)*TKS)/R
X=£XP(CK(I))
wRIT[(6,100) (L~(I,J),J=l'4I,X,EK(I)
1 CONT !NU£
TOLD=TK
RETUKIJ
£ND
..
------- |