-------
approaches - », and the first term 1s negligible. Also, since Cout
1s constant, m 1s zero and the third term drops out. Thus, the equation
can be reduced to
C =
/_L_\ /Yb + S\
H \ v
The variable b 1s equal to Cou^ 1n this equation.
Moschandreas et al. (1978) performed a sensitivity analysis on the
output of the model based on perturbation of Input parameters. In
descending order of sensitivity, the Input parameters rank as follows:
air Infiltration rate, decay rate, Indoor source strength, and Initial
concentration and volume of the structure. There 1s considerable
variation 1n values of Infiltration rate among structures; based upon a
very brief review of the literature, a typical value for residential
structures 1s 1 air change per hour (the range 1s about 0.3 to 4 ach).
Decay rate, source strength, and Initial concentration are all
chemical-specific terms. If the steady-state equation 1s used, the last
factor 1s not needed. Volumes of residences are on the order of 150 to
700 m3. Volumes of different types of conventional residences sampled
by Moschandreas et al. (1978) are as follows:
Structural type Mean Volume, m3__ Range of Volume, m3
(no. of observations)
Detached (3) 565 514 - 611
Semidetached (1) 385
Mobile (2) 187 181 - 194
Low-rise apartment (3) 183 183-183
High-rise apartment (3) 205 205 - 205
These may not be representative of typical volumes because of the limited
number of samples.
Line Source - UNAMAP Series
Line sources are generated by vehicles that travel along a route (or
line) such as a road, railway, or river. At present, no specific line
source models have been applied by OTS for modeling toxics. Some line
source models are available from the EPA UNAMAP (User's Network for
Applied Modeling of A1r Pollution) series (e.g., HIWAY), but these would
68
-------
have to be modified because they were conceived and designed for use with
the air quality program's criteria pollutants. Because (1) OTS rarely
has use for line source models and (2) 1t 1s probable that existing line
source models would have to be modified 1n a pollutant-specific manner,
Investigation of line source models for this methodology was limited to
Identifying the UNAMAP series as a starting point for model selection.
Area Sources - Atmospheric Box Model
Area sources are those sources that cannot be described as specific
point sources because releases are too widespread or exact locations are
not known. They are similar to line sources Insofar as many Individual
generators contribute to release. Situations where an area source model
might be used are for modeling ambient concentrations resulting from
residential combustion (e.g., heating oil, natural gas), release from
consumer goods, releases from commercial establishments, or other cases
where there are a number of diffuse release points.
The Atmospheric Box Model 1s currently used by OTS for modeling area
sources. Required Inputs are meteorological conditions (wind speed,
mixing height), release rates (mass/area/time), and size of release area
(Hall et al. 1981). The model can also account for degradation,
precipitation scavenging, and deposition 1f the appropriate rate factors
are Input. Output 1s average ground level concentration within the
release area on an hourly, monthly, or annual basis.
Point Sources - ATM
Point sources are known locations Identifiable by geographic
coordinates for which emissions of a specific chemical can be estimated
and assigned. If there 1s more than one point source, they must be
separated enough to ensure uniqueness during analysis. Also Included 1n
this category are general point sources. These are sources of chemical
emissions for which prototypes are defined and analyzed because the
actual sources are too numerous to allow Identification of specific
locations with geographic coordinates. Prototype sources are defined for
different regions, 1f necessary, and modeled 1n the same fashion as
specific point sources. The results can then be scaled to represent all
sources of the same nature.
The Atmospheric Transport Model (ATM) 1s used by OTS to model point
sources. ATM can model gaseous and partlculate pollutants at distances
of up to 50 km from a point source (Hall et al. 1981). Input data
required Include source location, emission type (process, storage, or
fugitive), emission characteristics (I.e., stack height, vent radius,
exit velocity, exit temperature), release rate, physlcochemlcal
69
-------
parameters (degradation rate(s), particle size spectrum), and
meteorological parameters (monthly wind rose data, atmospheric
stability). Meteorological data have been catalogued for over 300
National Weather Service Stations (STAR stations); this data file 1s
Interfaced with the OTS version of ATM to allow selection of
meteorological conditions for sites throughout most of the U.S. Average
monthly or annual ground level pollutant concentrations are output for
the 16 compass points at ten or more rad11 from the source. This model
1s also Interfaced with a Census Bureau data file on populations to allow
direct computation of number of people exposed to various concentrations
(Hall et al. 1981).
Partlculates - Scaling Factors for Indoor and In-vehlcle
M1croenv1ronments
The approach recommended for estimating Indoor or 1n-veh1cle
concentrations resulting from outdoor releases of partlculate matter 1s
to apply scaling factors to the outputs from the point, area, or line
source models discussed previously. As mentioned earlier, numerous
studies have documented simultaneous Indoor and outdoor concentrations of
partlculates, but only a few have distinguished between the contributions
of outdoor and Indoor sources. Most notable among these are studies by
Alzona et al. (1979) and Cohen and Cohen (1980).
In the former study, the air 1n various rooms was cleaned, and
airborne partlculate matter was collected (by filtration) simultaneously
1n the room and outdoors nearby. The filters were then analyzed for
trace elements of outdoor origin. These elements, and the particle sizes
with which they are typically associated, are calcium (0.65-20um), Iron
(3.6-20um), zinc (0.65-20um), lead (0.1-0.65um), and bromine (0.1-0.65um)
(Alzona et al.. 1979). Indoor concentrations reached an equilibrium ratio
with outdoor concentrations within one day, and these ratios varied for
different structural conditions. Mean 1ndoor:outdoor ratios ranged from
0.10 (calcium) to 0.42 (lead) for various closed rooms. When tests were
run with the windows wide open or cracked open, the ratios were
considerably higher (see Table 21). By placing plastic over the Internal
surfaces of the room, 1t was determined that Infiltration around the
windows (when closed) was the primary mode of entry of the partlculates;
resuspenslon of partlculates was not an Important effect. Concentrations
1n vehicles with windows closed were slgnflcantly less than outdoor
concentrations.
Cohen and Cohen (1980) built upon the work of Alzona et al. (1979) by
performing more analyses of calcium, Iron, lead, and bromine 1n
additional building types. They stated that calcium and Iron are
generally associated with large particles (about Sum) and lead and
70
-------
Table 21. Indoor/Outdoor (I/O) Concentration Ratios for Elements Associated with PartIculates.
Effect of Various Conditions on I/O. All Measurements Taken in the Same Room.
No. of
runs
3
2
1
2
6
3
I/O
Conditions Ca Fe Zn Pb
Normal 0.10 0.17 0.52 0.49
Plastic over windows 0.10 0.15 0.71 0.17
Window wide open 0.52 0.81 0.93 1.2
Window cracked open 0.20 0.16 0.69 0.55
All surfaces plastic 0.02 0.12 0.24 0.15
covered
All but windows plastic 0.10 0.15 0.58 0.57
covered
Br
0.33
0.17
1.0
0.53
0.20
0.32
Source: Alzona et al. 1979.
71
-------
bromine are associated with submlcron particles. Results from the Cohen
and Cohen (1980) and Alzona et al. (1979) studies are summarized In
Table 22 for buildings and 1n Table 23 for vehicles. Based on these
results, Cohen and Cohen (1980) conclude that, for chemicals associated
with large particles, Indoor concentrations are only about 20 percent of
outdoor concentration when windows are closed. For submlcron particles,
Indoor concentrations are on the order of 45 percent of outdoor
concentrations. The authors are forthright 1n stating the limits of
their procedures, I.e., that although a variety of sampling sites were
chosen, they cannot claim that the sites are representative of building
occupancy throughout the nation. Nevertheless, these data and several
other studies clearly show that exposure assessments which assume that
outdoor concentrations of chemicals associated with partlculates are
equal to Indoor concentrations (and 1n-veh1cle concentrations) tend to
overestimate exposure.
Therefore, pending development of better methods, outdoor
concentrations (generated by the Atmospheric Box Model, ATM, or other
models) should be adjusted by the scaling factors given 1n Table 24 to
provide more realistic estimates of Indoor concentrations of toxic
chemicals associated with partlculates. As the table shows, the ratios
differ depending on whether windows are open or closed. The proportion
of time with windows open depends on local climate, the prevalence of
heating and air conditioning, and proximity of the buildings to sources
(I.e., windows will be closed permanently 1f the source or other sources
cause perennial air quality problems). The average scaling factors 1n
Table 24 were calculated based on the assumption that windows are open 50
percent of the time and closed 50 percent of the time.
(2) Geographic Locations. Specific geographic locations of the
sources are needed for two reasons: (1) so that the receptor
populations can be Identified and (2) to allow collection of
site-specific environmental data (e.g., meteorology)-required for
modeling. The most useful format for geographic location Is to 11st the
latitude and longitude of the site.
Source Information 1s generated by three processes:
1. Analysis of monitoring data.
2. Materials balance approach.
3. Applying emission factors to production volumes at production
sites.
In the first case, the exact location of the sampling station 1s usually
given because 1t 1s a standard descriptor of the monitoring regime. The
second process, materials balance, 1s not described 1n this volume, but
72
-------
Table 22. Summary of Indoor/Outdoor (I/O) Concentration Ratios
for Buildings (windows closed)
Bui Iding type
Diversity, office
ublic high school
ubl ic h Igh school
Diversity, office
tore
ubl ic elem. sch.
ommercial office
ome, basement
ame, 3 wks later
ome, attic
ome, att ic
ome, kitchen
i i vers ity, office
liversity, lab
jme, bed room
ame, attic
:>me, bedroom
liversity, lab
i iversity, office
liversity, lab
/erage
>me average
Age* Condition^
8
60(1)
60(1)
25
80(3)
50
80(2)
50
50
50
70
90
10
60
50
50
70
60
25
60
A
A
A
C
B
C
C
B
B
B
B
D
B
0
B
B
0
D
C
C
Windows
2
1
0
4
20
5
4
5
5
2
1
2
0
2
8
2
2
3
3
3
Ca
0.043(0.015)
0.26(0.23)
0.17(0.09)
0.15(0.08)
0.064(0.016)
0.23(0.16)
0.14(0.09)
0.38(0.30)
0.16(0.10)
0.42(0.29)
0.15(0.03)
0.05
0.08
0.15
0.10
0.17(0.08)
0.23(0.13)
1/0+
Fe
0.077(0.021)
0.095(0.036)
0.13(0.06)
0.050(0.021)
0.19(0.06)
0.44(0.18)
0.16(0.05)
0.30(0.13)
0.32(0.10)
0.31(0.17)
0.15(0.03)
0.26(0.04)
<0. 10
0.33
0.27
0.10
0.33
0.13
0.54
0.17
0.22(0.1 1)
0.25(0.07)
Pb
0.17(0.06)
0.070(0.01)
0.15(0.09)
0.19(0.07)
0.31(0.10)
0.62(0.16)
0.27(0.05)
0.44(0.10)
0.47(0.07)
0.50(0.37)
0.42(0.21)
0.85(0.28)
<0. 10
0.25
0.70
0.40
0.47
0.31
0.47
0.49
0.38(0.16)
0.53(0.12)
Br
0.41(0.18)
0.18(0.06)
0.25( )
0.43(0.20)
0.57(0.28)
0.44(0.16)
<0. 10
0.43
0.58
0.29
0.22
0.25
0.58
0.33
0.36(0.17)
0.38(0.13)
'arentheses indicate years since last remodeling.
londition: A-excel lent; B-good; C-falr; D-poor.
'arentheses indicate average deviation.
>urces: Cohen and Cohen I960 and Alzona et al. 1979.
73
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Table 23. Indoor/Outdoor (I/O) Concentration Ratios for Vehicles
(Windows Closed)
Indoor/Outdoor
Type of vehicle Fe Pb Br
Chevrolet Vega 0.27 0.41 0.36
Datson 440 0.09 0.12 0.24
Source: Alzona et al. 1979.
74
-------
Table 24. Scaling Factors Recommended for Adjusting Outdoor
Concentrations to Indoor and In-vehicle Concentrations
Predominant
particle size
Less than 1 pm
Greater than 1 pm
Indoor microenvironment In-vehicle microenvironment
WC WO Avg.2 WC WO Avg.2
0.4 1.0 0.7 0.4 1.0 0.7
0.2 0.6 0.4 0.2 1.0 0.6
Application: multiply outdoor concentration of particulate-associated chemical by factors to
estimate indoor or in-vehicle concentration.
^WC = window closed and WO = window open.
^Average value based on assumption that windows are closed 50% of the time.
Based on data from Alzona et al. (1979) and Cohen and Cohen (1980), reproduced in Tables 21,
22, and 23.
75
-------
the geographic coordinates of releases should be provided as an output of
the process. The third process, using emission factors, 1s applied only
to production sites.
Production sites can be Identified by use of the same Information
sources that provide data on production volumes. These are listed In
Table 1. The spatial resolution offered by these sources may be
Inadequate; for Instance, when the address Is a large city or county, a
more exact location will be needed. Where more detail 1s required,
options are:
1. Obtain a NEDS (National Emissions Data System) retrieval for the
site. This will provide Universal Transverse Mercator coordinates
of any major point sources (note that these may not coincide with
the exact locations of process or fugitive releases, but they will
at least be close). These coordinates can then be translated to
latitude and longitude. NEDS 1s described 1n Sections 6.2.3(4)
and 4.1.1, and Appendix A of this volume, and sample retrievals
are given 1n Appendix C.
2. Obtain an IFD (Industrial Facilities Discharges) retrieval for the
site. This 1s an aqueous effluent data base, and 1t provides only
latitude and longitude of aqueous discharges; this 1s probably
accurate enough for most applications. IFD 1s described 1n more
detail 1n Sections 6.3.3(2) and 4.1.2, and Appendix A of this
volume.
3. Call the EPA Regional Office and talk to staff members who deal
with air, water, or hazardous waste enforcement. These people
usually know, or have ready access to, Information on exact site
locations.
4. Call the company.
(3) Source Strength. Source strength 1s a measure of release rate
to the atmosphere and 1s expressed 1n units of mass/time (e.g., g/sec or
kkg/yr). The three procedures by which source strength can be
determined, 1n descending order of preference, are:
1. Collect monitoring data.
2. Perform environmental materials balances.
3. Use estimating factors.
Each of these 1s explained below.
76
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Monitoring Data
Monitoring data can provide the most reliable Information on air
emissions. Unfortunately, monitoring data on toxic substances 1n air are
very rare or unavailable. The data bases that do provide data on air
emissions are described 1n Section 4.1.1.
Environmental Materials Balances
Environmental materials balances are quantitative determinations of
the flow rates of chemicals from the anthropogenic environment to the
natural environment 1n terms of quantity, location, time, and chemistry.
Environmental materials balances are concerned with the releases to
different media, usually expressed on an annual basis. The methods for
performing materials balances 1s beyond the scope of this report. If
materials balances are required, use the release rate to the atmosphere
as the source strength for modeling ambient concentrations.
Estimating Factors
The last method to use when determining air releases from production
1s to apply estimating factors to production volume. This method will
Indicate the approximate amount of product released to a specific medium
as a percentage of production volume. It should be noted that estimating
factors are crude approximations of releases and should be used only as a
last resort when all other techniques have been exhausted.
Estimating factors were developed to account for the product releases
to air from the manufacture of organic chemicals. Two methods were used
to calculate this estimating factor:
1. The air release factors were derived by using a weighted average
based on approximate unit process emissions. The contribution of
emissions from each unit process was taken from White (1981). The
actual numerical emissions (1n kg of product/kkg of production
volume) for each unit process were found 1n Versar (1982).
Information from both sources 1s presented 1n Table 25.
The estimated emission contribution percentage was applied to the
actual numerical emissions to determine the weighted average. The
weighted average was calculated based on the amount of available
data. This average 1s for process emissions only. Therefore, to
determine the total amount of emissions, 1t was assumed that
process emissions account for 55 percent of total emissions (IT
Envlrosdence 1980).
77
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Table 25. Estimated Emissions from Unit Processes
Unit
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
II.
12.
13.
14.
15.
16.
process
Oxidation
Halogenatlon
Hydrogenatlon
Ester If I cat Ion
Alkylatlon
Sul fonat Ion
Dehydrogenatlon
Hydrolysis
Reforming
Carbony latlon
Oxyacety latlon
Nitration
Dehydration
Ammono 1 ys 1 s
Condensation
Dealky lat ion
TOTAL
Estimated emissions
contribution to total synthetic
organic chemicals manufacturing
industry (?)
48.3
14.5
10.8
6.9
4.0
3.4
2.7
2.4
2.2
1.2
1.0
0.8
0.7
0.6
0.5
0
100.0
Amount of product
released from each unit
process (kg of product/
kkg of production volume)
I.I
6.5
MA
1.6
NA
NA
0.228
0.15
NA
NA
NA
NA
NA
NA
NA
NA
Emission
factor for
each unit
process (%)
0.1 1
0.65
NA
0.16
NA
NA
0.0228
0.015
NA
NA
NA
NA
NA
NA
NA
NA
NA - Not available.
Sources: White 1981 and Versar 1982.
78
-------
2. The air emission factor was determined by averaging the product
air releases reported 1n over 20 organic chemical materials
balances (Versar 1980). Materials balances for numerous types of
organic chemicals were examined, Including aromatlcs and
chlorinated hydrocarbons (see Table 26).
The results of the above two methods were very similar. The emission
factors for the first and second methods were 0.39 and 0.31 percent of
the total production volume, respectively. Therefore, the estimating
factor for air was assumed to be 0.35 percent of the total production
volume. Again, 1t must be noted that this estimating factor should be
used with extreme caution. Emissions from organic chemical manufacturing
are actually process- and site-specific and cannot be adequately
estimated using only one factor.
The total amount of air releases from manufacturing are attributed to
the following four types of emissions: fugitive, storage, secondary, and
process. The amount each of these emission types contributes to the
total amount of product releases 1s not known. However, this Information
has been calculated for VOC (volatile organic carbon) by IT Envlrosclence
(1980). Of the total amount of VOC emitted to the air from the synthetic
organic chemicals manufacturing Industry, 9 percent 1s attributed to
storage losses, 32 percent to fugitive emissions, 4 percent to secondary
releases, and 55 percent to process vent emissions. It can be assumed
that the product emission breakdown will be similar to the VOC emission
breakdown. Like the other factor, this emission breakdown 1s only an
approximation and will vary among unit processes and manufacturing
facilities.
(4) Emission Characteristics. The various components required to
characterize air emissions are shown 1n Table 27. In addition, examples
of emission characteristics are presented 1n Appendix C for the organic
chemicals, plastics, and lubrication and hydraulic fluid Industries.
These characteristics are required as Input values for ATM and other
models.
There 1s no simple source that provides all the Information on
emissions characteristics. Several sources must be used and Include but
are not limited to: reports generated by OAQPS (Monitoring and Data
Analysis Division, Strategies and A1r Standards Division), EPA Industrial
Process Profiles, EPA Compilation of A1r Pollution Emissions Factors,
State Emissions Inventory Questionnaires (EIQ), various trade journals,
and various data bases. Reports on specific industries that characterize
air emissions are shown 1n Table 28.
79
-------
Table 26. Air Emission Factors Derived from Materials Balances
Air emission
Chemical factor (?)
Phenol 0.10
2-Chlorophenol 0. I I
2,4-Olchlorophenol 0.10
Tetr achIoroethe ne 0.80
Methylene chloride 0.20
Benzene 0. I I
1,1,l-Trlchloroethane 0.95
Ethylene dichlorlde 0.72
Ol-n-butyl phthalate ester 0.01 I
Diethylphthalate ester 0.11
Bis(2-ethylhexyl)-phthalate 0.12
TrIchlorofIuoromethane 1.0
TrIchloroethene 1.46
Tol uene 0.1 I
Chloroform 0.048
Pentachlorophenol 0.07
Naphthalene 0.02
Ethyl benzene 0.10
Methyl Ethyl Ketone 0.10
Xylene 0.082
Acetone 0.10
80
-------
Table 27. Parameters and Factors Required for Air Emission Characterization
• Emissions categories: process, fugitive, storage and handling, etc.
• Contributions from each emissions category
• Stack Information: height, diameter, number per plant, etc.
• Periodicity of release: batch, continuous, semi-continuous; frequency and duration
• Wastestream: exit velocity, exit temperature, chemical and physical composition,
flow,
81
-------
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The air quality data bases of primary concern that contain emission
characteristics are: Aerometrlc Emission Reporting System (AEROS) and
Its subsets; Compliance Data System (CDS); Environmental Assessment Data
Systems (EADS) and Its subsets; and the Compliance Data System (CDS).
These data bases should be consulted 1n the order listed above. A brief
description of each system 1s presented below.
AEROS consists of several subsystems that provide emission
characterization Information. One of the subsystems, the National
Emissions Data System (NEDS), contains data on the following relevant
elements: stack height, stack diameter, gas temperature, gas flow rate,
plume height, pollutant emission factors, design rate, capacity, control
efficiencies, and operating level. The point source listing also
Includes name and address of the facility, SIC code, and source
classification code (SCC). The SCC provides more detailed Information
than the SIC (example: SIC 2911 - Petroleum Refining; SCC 4-03-001-02 -
Petroleum Storage, Fixed Roof Tank, Breathing Loss, Crude).
NEDS 1s an extensive data base but 1s limited with respect to
statistical summary retrieval capabilities. For Instance, 1t 1s not
possible to retrieve average stack height for a given SIC. Therefore,
retrieval of a sample of plants must be performed for Industrywide
exposure assessments and summary statistics need to be calculated by
hand. The primary drawback of NEDS 1s that 1t 1s essentially limited to
points emitting more than 100 tons per year of criteria pollutants (e.g.,
NOx, S02, partlculates). As far as toxic substance releases are
concerned, process vents and other points that are of most Interest are
not generally covered by NEDS. Two other Important subsystems of AEROS
are the Source Test Data System (SOTDAT) and the Hazardous and Trace
Emissions System (HATREMS). SOTDAT contains the same Information as NEDS
but 1s limited to selected test facilities. HATREMS 1s also similar to
NEDS except that 1t tracks facilities releasing noncrlterla hazardous
pollutants. While HATREMS and SOTOAT are potentially most applicable to
exposure assessments on toxics, there are very little data 1n these
systems yet so they are not widely useful.
CDS 1s a management Information system that contains data on plants,
factories, and other point sources of air pollution. Emissions
characterization Information Includes compliance data, treatment levels,
Inspection data, and production levels of plants. Other Information 1s
similar to NEDS point source listing.
EADS consists of several subsystems that contain emission
characteristics Information based on the physical character of the
emissions (I.e., gaseous, liquid, fine particle, solid, and fugitive).
83
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This Information Includes design process rate, process type, stack
height, mass/volumetric flow rate, stream velocity, and stream
temperature.
Industry-specific date bases are also available and Include Organic
Chemical Producers Data Bases (OCPOB) and Multimedia Assessment of the
Inorganic Chemicals Industry. An example of an OCPDB retrieval Is
presented 1n Appendix C, Exhibit C.I.7.
Detailed descriptions of the data bases mentioned above are provided
1n Appendix A. The Information resource matrix at the beginning of the
appendix presents an Index and location for the data bases available 1n
Appendix A.
Beyond these data bases, a vast amount of Information on emission
characteristics exists 1n EPA and contractor publications. One
contractor's report 1n particular (SAI 1981), prepared for OAQPS,
addressed 35 selected chemicals 1n respect to human exposure to
atmospheric concentrations. An appendix was provided on each of 35
chemicals and contained detailed emission characteristics Information
Including number of stacks, vent height, vent diameter, discharge
temperature, velocity, and distribution area.
(5) Environmental Characteristics. Environmental characteristics
used to model ambient concentrations Include meteorological data and
terrain data.
The best source of meteorological data 1s the computerized data file
maintained by the National Weather Service at the National Climatic
Center (NCC) at Ashevllle, North Carolina. The raw data 1n this file for
250 major meteorological reporting stations throughout the country can be
processed by using the STab11ty ARray (STAR) program to provide data on
atmospheric stability, wind direction, and wind speed. STAR 1s available
on magnetic tape from the NCC and 1s widely used by air modelers. In
fact, ATM 1s Interfaced with this program and the NCC raw data 1n the OTS
operating model system. Users should be aware, however, that the
Pasqulll-Turner method used 1n the STAR program for calculating stability
1s a very Indirect method, and may be Inappropriate for modeling rough
terrain, valleys, cities, and other areas with terrain anomalies
(Sullivan and Shanoff 1981). Since most models are very sensitive to
atmospheric stability, this parameter must be characterized as accurately
as possible (Sullivan and Shanoff 1981).
Terrain data are not required Inputs to any of the models discussed
above, because these models generally assume level terrain. If this
assumption 1s Inappropriate, however, the confidence 1n the modeled
84
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ambient concentration 1s reduced. A qualitative evaluation of terrain
roughness can be made for an area by referring to the U.S. Geological
Survey (USGS) 1:250,000 map series, which Include contour lines. If more
resolution 1s needed, the USGS 7.5-m1nute quadrangles provide very sharp
detail. These maps are available from USGS headquarters 1n Reston,
Virginia, or from the map offices 1n Arlington, Virginia, or Denver,
Colorado.
(6) Fate Process Data. Fate process data needed for modeling
Include degradation rate by hydroxyl radical, degradation rate by ozone,
and particle deposition rate. Some general sources of Information on
physlcochemlcal properties were listed 1n Table 1 (Section 2), but for
the most part these sources do not Include quantitative atmospheric rate
data. The Environmental Fate Data Base (EFDB), currently under
development by Syracuse Research Corporation for OTS, contains files of
physlcochemlcal properties, Including oxidation reactions 1n the
atmosphere. Three files are Included 1n EFDB:
• DATALOG, a data pointer file, covering 2,600+ chemicals; 20,000+
records.
• CHEMFATE, a data value file, covering 220+ chemicals; 3,600+
records.
• XREF, a bibliography file, covering 1,900+ citations.
The files are searchable by Chemical Abstracts number. An example of an
EFDB (CHEMFATE) retrieval 1s provided 1n Appendix C, Exhibit C.4-7.
A literature search via the commercially available computerized
systems for the Individual substance or analogous compounds may also
yield rate data. Much of the data 1n the literature 1s found 1n
periodicals such as Environmental Science and Technology, Journal of
Physical Chemistry, and International Journal of Chemical Kinetics.
Another alternative 1s to use estimation techniques. Algorithms for
estimating destruction by ozone or hydroxyl radical attack are currently
programmed Into ATM; one Inputs the molecular structure, and based on
component rates for various bonds (e.g., carbon-carbon double bond), a
degradation rate 1s estimated.
ATM 1s also programmed to estimate particle deposition rate, provided
that particle size spectrum 1s Input. A routine for estimating particle
size spectrum was discussed 1n Section 3.1.2.
(7) Model Execution. Model execution Involves setting up the
appropriate model, Inputting the parameters discussed 1n subsections
85
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6.2.3(2) to 6.2.3(6), and outputtlng ambient concentrations. For
detailed Instructions on model operation, the reader 1s referred to the
following sources:
Model Source (see reference section for complete
citation)
GIOAP Moschandreas et al. 1978
Line sources - UNAMAP Smith et al. 1978
Atmospheric Box Model Glfford and Hanna 1972
ATM Patterson et al. 1981.
6.3 Dermal Exposure
Dermal exposure to humans differs from Inhalation exposure because of
the activities that lead to exposure; swimming 1n rivers, lakes, and
streams 1s the only activity considered to cause significant dermal
exposure. Although other activities (e.g., water skiing, fishing,
standing 1n the rain) could lead to human dermal exposure, the frequency,
duration, and amount of skin surface available for exposure are small;
therefore, at least for general and long-term assessments, these
activities are considered negligible. (Consult Scow et al. (1979) to
evaluate their significance.) Because swimming 1s an episodic activity
(unlike the continuous activity of breathing), 1t 1s necessary to
consider frequency and duration (subsection 6.3.1) of exposure. In
addition, availability of dermal surface area to the waterborne pollutant
1s an Important factor 1n dermal exposure calculation (subsection
6.3.2). These activity-related parameters, when coupled with data on the
aquatic ambient concentration (subsection 6.3.3), yield a dermal exposure
figure as outlined earlier 1n Section 1.3.2.
6.3.1 Frequency and Duration
Frequency of outdoor swimming 1n natural surface water bodies must be
determined 1n terms of the number of exposures per year. The duration
parameter refers to the number of hours per exposure. Together, these
parameters equal the exposure periodicity 1n hours per year.
The only Information source found for frequency and duration of
outdoor swimming was In a report by the Bureau of Outdoor Recreation
(USDOI 1973). Of the surveyed population of 11,000, 34 percent swam 1n
rivers, lakes, and oceans. For this group, the average frequency of
swimming was seven days per year, and the average duration was 2.6 hours
per day. It 1s not possible to disaggregate this Into separate
frequencies and durations for rivers, lakes, and oceans, but 1t 1s likely
that lakes and oceans make up the majority of the time reported. It Is
Important to note that the seven activity days were reported only during
86
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the three summer months, or summer quarter (of 1972). This can be
considered an annual value with the assumption that most, 1f not all,
outdoor swimming occurs only during that time of the year. This
assumption 1s not realistic 1n the warmer areas of the country, but no
better data were found.
In summary, for a national per person average:
• 34 percent of the total population swims outdoors 1n natural
surface water bodies (Including oceans, lakes, creeks, rivers).
• Frequency of exposure = 7 days/year.
• Duration of exposure = 2.6 hours/day.
• Periodicity = 18.2 hours/year.
These are general values; 1t should be noted that there 1s probably
considerable geographic variability.
6.3.2 Availability
Availability for dermal exposure calculation 1s assumed to equal the
total amount of human skin surface area. Availability values are given
below for adults and children. If the exposed population will not be
disaggregated by age groups, 1t 1s recommended that both availability
values be used to represent a general range of exposure for the total
swimming population. Both figures cited below are from ICRP (1974).
Availability:
• Average Adult (male and female, 20-30 yrs) = 17,000 cm2.
• Average Child (male and female, 1-10 yrs) = 7,700 cm2.
6.3.3 Ambient Aqueous Concentration
Like ambient air concentration for Inhalation discussed 1n Section
6.2.3, ambient aqueous concentration can be determined by using
monitoring data and/or by modeling. Monitoring data are generally rare,
but some data sources have ambient toxic substances concentrations; these
are discussed 1n Section 4.2.2. Most often, some modeling will be
required. Generalized model requirements are listed 1n Table 29. The
remainder of this section discusses modeling.
The steps Involved are analogous to those addressed 1n Section 6.2.3
for modeling air pollutants. They are as follows:
1. Select model.
2. Locate receiving streams.
87
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Table 29. Effluent Characteristics Needed To Model
Aqueous Ambient Concentrations
1. Discharge type — point or nonpoint
2. Flow
3. For point sources, whether:
direct (discharged after on-site treatment), or
indirect (routed to publicly-owned treatment
plant IPOTW1 for treatment)
4. Periodicity of release:
continuous
semi-continuous or batch (need frequency and
duration of release)
-------
3. Determine source strength.
4. Characterize effluent.
5. Characterize environment.
6. Analyze fate processes.
7. Execute the model.
Each of these elements 1s discussed below.
(1) Model Selection. Numerous models have been developed for
estimating the effects of chemicals on water quality. A summary of
models available for estimating pollutant concentrations In surface
waters has been prepared 1n another volume of this report—Methods for
Assessing Exposures from Drinking Water (Volume 5). The reader should
refer to Table 8 1n Volume 5 for complete listings, descriptions, and
references to other models. The ensuing discussion Is limited to those
water models currently being used by OTS.
The simplest method of estimating ambient concentration 1s to assume
Immediate dilution and distribution of the substance at the point where
1t 1s discharged to surface water. The required data for this approach
are the aqueous loading (mass/time) and the receiving stream flow
(volume/time). This 1s obviously a gross method and cannot account for
fate processes, but 1t 1s useful In screening-level studies where great
accuracy 1s not required.
A much more sophisticated model 1s the Exposure Assessment Modeling
System (EXAMS), which has been developed by USEPA's Athens Environmental
Research Laboratory (ERL). EXAMS 1s a compartment model, I.e., 1t
considers the fate and transport of a chemical as 1t passes through a
series of water compartments and associated sediment and blotlc
compartments. Within each compartment, the model generates one
concentration; 1t 1s assumed that each compartment 1s homogeneous. The
compartments can be arranged to depict a simple pond (one water and one
sediment compartment), a river (a series of water and sediment
compartments), or a stratified lake (one upper water compartment and one
lower water compartment). EXAMS can simulate chemical loading from point
sources, atmospheric deposition (dry and wet), nonpolnt sources, and
groundwater seepage. Its use 1s limited to organic chemicals. I.e., 1t
1s not appropriate for Inorganics.
EXAMS can depict not only bulk transport and dilution, but fate
processes Including volatilization, hydrolysis, photolysis,
blodegradatlon, adsorption to suspended and bed sediments, and chemical
spedatlon (Flksel et al. 1981). Input requirements for EXAMS are listed
1n Table 30. Default values are available for virtually all of these
parameters except the hydrologlcal ones, and are supplied by the model.
89
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Table 30. EXAMS Input Requirements
Parameter Units
River and tributary flow m3/hr
Non-point source water input m /hr
(direct surface runoff)
Compartment length m
Compartment width m
Compartment surface area nr
Compartment depth m
Compartment volume nr
Stream velocity m/s
Chlorophyll concentration mg/L
pH
pOH
Concentration on suspended sediment mg/L
Percent organic carbon content of
benthic and suspended sediment
Extinction coefficient m
Nonpoint source sediment input kg/hr
Length for dispersive mixing m
Eddy dispersivity nrVhr
Cross-sectional area of adjoining m^
reaches
90
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Table 30. EXAMS Input Requirements
(continued)
Parameter
Units
Interflow
Reaeration rate coefficient
Wind speed over river
Rainfall
Cloud cover
Evaporation loss
Water temperature
Sediment load
Latitude
Spectral irradiance
Distribution function (ratio of
optical path length to vertical
depth in water)
Sediment density
Percentage water weight of sediment
Cation exchange capacity of sediment
Anion exchange capacity of sediment
Molar concentration of oxidants
nrVhr
cm/hr
m/s
mm/month
tenths
mm/month
°C
kg/hr
degrees
photons/crrrVs /nm
g/cm3
mini eq/100 g dry wt
milli eq/100 g dry wt
moles/L
91
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Table 30. EXAMS Input Requirements
(continued)
Parameter Units
Biomass in water and sediment mg/L and g dry wt/rn^
Fraction of planktonic biomass —
Biotemperature °C
Bacterial density eelIs/100 g dry wt
Percent of active bacteria —
Dissolved organic carbon mg/L
Source: Fiksel et al. 1981.
92
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Typical values for many of the environmental characteristics listed 1n
Table 30 are being developed under contracts with the Environmental
Research Laboratory, Athens ORD, for 15 major river basins 1n the U.S.
These studies should be completed sometime 1n late 1983 and will be
available through NTIS. Kenneth F. Hedden (ERL/Athens) can be contacted
for more current Information at (404) 546-3310.
EXAMS outputs the steady-state concentrations of the chemical of
Interest (for dissociated and undlssodated species) 1n each compartment
(water, sediment, biota) and the decay kinetics. The model allows
dynamic response to fluctuating loads of chemicals, but 1n most
applications, loading 1s assumed to be constant.
The Wisconsin Hydrologlc Transport Model (WHTM) 1s also 1n use by
OTS. WHTM 1s a very "data-hungry" model suitable for detailed simulations
of a specific locale. It 1s less suitable for more general
applications. WHTM simulates the transport of organic or Inorganic
chemicals through soils and surface waters. Input requirements Include
loading rate (by deposition, Incorporation Into the soil, or direct point
source discharge), environmental characteristics (flows, temperature,
soil characteristics, precipitation, Infiltration rates, suspended solids
load, etc.), and reaction rates for fate processes. The model
accommodates blodegradatlon, hydrolysis, aqueous photolysis,
volatilization from soil and water, absorption to soils and sediments,
and dissociation. Output 1s the concentration of the chemical In various
compartments with temporal resolution as fine as 15 minutes.
(2) Receiving Streams. After selecting the appropriate model
(Section 6.3.3(1)), the next step 1s to determine the exact location of
any toxic pollutant discharges entering the receiving stream, I.e.,
surface waters. To determine the exact location of the discharges, the
four steps below can be used:
1. Check the Industrial Facilities Discharge file (IFO).
2. If the required Information 1s not 1n the IFD file, check the
National Pollutant Discharge Elimination System (NPDES) data base.
3. If the exact discharge location could not be found from the above
Information sources, call the Regional EPA enforcement staff, who
usually are aware of most major sources.
4. Call the company.
A more detailed description of Steps 1 and 2 1s presented below:
93
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Step 1. The IFO file 1s an EPA In-house data base consisting of direct
and Indirect discharges for the major Industrial categories. It
covers those Industries suspected of discharging priority
pollutants. This data base allows rapid selection, sorting, and
retrieval of Information based on a variety of selection
criteria. For example, by selecting a specific SIC code, 1t 1s
possible to output Information on the corresponding Industrial
category. This output can be further refined by specifying a
particular state, county, city, or river basin.
In general, two categories of selection criteria (Identities)
can be used to obtain location data. These two categories
consist of location and manufacturing facility Information. The
specific Identifiers found 1n each category are presented In
Table 31.
Additional background Information on the IFO file 1s located 1n
Appendix A. Sample IFO retrievals are presented 1n Appendix C,
Exhibits C.l-5, C.2-5, and C.3-5.
Step 2. NPOES 1s a permit-Issuing program designed to monitor and
control the discharge of pollutants Into the nation's surface
waters. Any Industry or publicly owned treatment works that
discharges Into surface waters 1s required to obtain an NPDES
permit.
This file 1s organized 1n a manner similar to that used for the
IFO file. The Identifiers are grouped according to location and
facility Information and are presented 1n Table 32.
For additional Information on the NPDES file, see Appendix A.
(3) Source Strength. Source strength 1s equivalent to the environ
mental release rate to water and 1s expressed 1n units of mass/time
(e.g., kg/day or kkg/yr). As 1s the case for air emissions, source
strength to water can be determined by:
1. Monitoring
2. Performing environmental materials balance
3. Using estimating factors.
Monitoring
Monitoring data for aqueous discharges provide the most useful and
accurate Information, but they are not available for most toxic
substances. Data bases providing aqueous loading rates are discussed 1n
Section 4.1.2.
94
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Table 31. IFD Location and Facility Identifiers
Location Identifiers Facl llty Identifiers
I. State I. Facility name
2. County 2. Facility location
3. City 3. Street address
4. Street address 4. SIC code
5. Coordinates 5. Dun and Bradstreet number
6. Latitude/longitude 6. NPDES number
7. Stream name 7. Program Identifier
8. Stream reach
9. River mile
Besides location and facility information, the following
nonpolluUnt parameters can be obtained from the IFD file:
• Discharge points
• Flow rates
• Geographic subdivisions
• Industry
• Political subdivisions
• Demographics
95
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Table 32. NPDES Location and Facility Identifiers
Location identifiers
Facility identifiers
1. State
2. City
3. Town/township
4. Street address
5. Project identifier
NPDES number
1. Plant facility name
2. Plant location
3. NPDES number
These identifiers are also possible output parameters
and can be combined to further restrict the scope of
the search.
Besides the above data, the following nonpollutant
parameters can be obtained from the NPDES file:
• Compliance data
• Discharge points
• Flow rates
• Inspection data
• Sampling data
96
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Environmental Materials Balance
A materials balance approach 1s often used to estimate releases to
various environmental compartments. One of the components of a materials
balance 1s Identification of the points of release and associated
loadings to the aquatic environment, usually on an annual basis.
Estimating Factors
If neither monitoring data nor materials balances Information 1s
available, a very crude approximation of release from production sites
can be made by deriving relationships between production and release rate.
Estimating factors can be used to provide approximate data on water
release from production. A water estimating factor Indicates the
approximate amount of product released to receiving streams (surface
water) as a percentage of production volume. It cannot be overemphasized
that estimating factors are only crude approximations; they should be
used only when no other options are available.
An estimating factor was determined to account for the product
releases to receiving streams from the manufacture of organic chemicals.
This emission factor was determined by averaging the product water
releases 1n over 20 organic chemical materials balances. A 11st of the
materials balances considered and the water release factors are presented
1n Table 33.
The average value from Table 33 was found to be 0.40 percent
(equivalent to 4 kg released per kkg produced) based on the available
Information. Again, this emission factor should be used with extreme
caution. Actual emissions from organic chemical manufacturing are highly
process- and site-specific and cannot be adequately estimated by only one
emission factor.
(4) Effluent Characteristics. Information on effluent
characteristics needed to model aqueous ambient concentrations 1s listed
1n Table 29. This Information 1s available on an Industrywide basis from
the following sources: EPA Effluent Limitation Guidelines Development
Documents; EPA TreatabUHy Manuals, Best Available Technolgy (BAT)
Review Studies, Environmental Data Summary and Analyses (EDSAs),
Industrial Facilities Discharge file (IFD), and Bureau of Census (Census
of Manufactures).
Industry coverage for the first three types of Information sources
noted above 1s listed 1n Table 34; presentation of the Information varies
from document to document. Examples of EOSAs providing Industrywide flow
97
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Table 33. Materials Balances and Water Emission Factors
Water emission
Materials balance factors (%)
Phenol 0.008
2-Chlorophenol 2.09
2,4-Dichlorophenol 2.10
Tetrachloroethene NA
Methylene chloride 0.005
Benzene 0.01
1,1,1-Trichloroethane NA
Ethylene chloride NA
Di-n-butyl phthalate ester 0.13
Diethylphthalate ester 0.11
Bis(2-ethylhexyl) phthalate 0.13
Trichlorofluoromethane NA
Trichloroethene 0.03
Toluene NA
Chloroform 0.01
Pentachlorophenol NA
Naphthalene NA
Ethylbenzene 0.17
Methyl ethyl ketone NA
Xylene 0.04
Acetone NA
TOTAL 4.83
NA - Not available.
98
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and direct/Indirect discharge data are provided 1n Appendix C as Exhibits
C.l-4, C.2-4, and C.3-4 for the organic chemicals, plastics, and
lubricant and hydraulic fluids Industries, respectively.
The IFO file can provide summary retrievals listing flows and number
of plants discharging directly or Indirectly; to provide this, the file
must be searched by SIC (Standard Industrial Classification) code. SIC
code may not correspond exactly to the specific Industrial category or
subcategory of Interest, so this 1s a potential drawback.
The Census of Manufactures (Bureau of the Census 1980a) provides an
Industry-by-lndustry listing of water use. Use 1s grouped by such
characteristics as process, cooling, refrigeration, drinking, etc., and
1s also broken out by direct or Indirect discharge. Examples of Census
of Manufactures data on organic chemicals, plastics, and lubricant and
hydraulic fluids Industries are presented 1n Appendix C as Exhibits
C.l-1, C.2-1, and C.3-1, respectively.
For effluent characteristics for Individual plants, there are two
options:
1. Obtain an IFD retrieval for the plants.
2. Infer the characteristics based on Industrywide data from the
other Information sources above.
IFD can be accessed by plant name. IFD retrievals showing flows and
other effluent characteristics for specific plants are shown In
Appendix C as Exhibits C.l-5, C.2-5, and C.3-5.
If IFD 1s not available, one of the other sources can be used. These
other sources are designed to obscure plant-specific data to discourage
calculation of confidential Information. One can estimate the plant's
effluent characteristics based on the Industry average values or 1f
production volume 1s known, flow may be calculated based on
flow-production ratios provided 1n some of the effluent guideline
development documents.
For nonpolnt sources, effluent characteristics will be related to
land use and hydrology. Land use data may be available from local
planning agency studies mandated by Section 208 of the Clean Water Act.
Watershed boundaries can be found In U.S. Geological Survey State
Hydrologlc Unit Maps (available from USGS offices 1n Reston, Virginia;
Arlington, Virginia; and Denver, Colorado) which are arranged by a
hydrologlc unit code for regions, subreglons, accounting units, and
cataloging units. There are 352 accounting units 1n the U.S., and
101
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within these there are approximately 2,100 cataloging units. Data on
annual runoff rates are available for each of the 18 major river basins
1n the U.S. from a USEPA draft report on the National Urban Runoff
Program (DON 1981). Other useful hydrologlcal Information 1s found 1n
the "Water Atlas of the U.S." (Geraughty et al. 1973).
(5) Environmental Characteristics. All models, Including the simple
dilution calculation, require data on the flow of the receiving stream.
Beyond that, the EXAMS and WHTM models can use site-specific data on
parameters that affect fate and transport or they can be run using
model-supplied default values.
The U.S. Geological Survey maintains a system of stream gages
throughout the U.S. to determine flow. Stream flow data can be accessed
manually by referring to the USGS reports published annually on a
state-by-state basis (e.g., "Water Resources Data for Virginia, Water
Year 1980"). Locations of gaging stations are provided 1n a map 1n the
front of each report, and average, high, and low flows are summarized for
each station on an annual basis and over the period of record. Dally
flows are provided, allowing calculation of seasonal averages (1f needed).
More sophisticated hydrologlc statistics can be computed by using the
USEPA STOrage and RETrleval (STORE!) Flow Data File (FDF). This file
uses the USGS flow data (stored 1n computer form 1n Water Data Storage
and Retrieval Systems (WATSTORE), and Interfaced with STORET) and
provides the programming required to calculate probability-based
hydrologlc values (e.g., 7-day, 10-year recurrence Interval, low flow).
Where the site Involved 1s far from a USGS gaging station, the EPA GAGE
file (Stream Gaging Inventory) can be used. This file Includes data from
additional sources such as state gages, U.S. Army Corps of Engineers
gages, Bureau of Reclamation gages, etc. Like FDF, GAGE 1s maintained
and operated by the Water Quality Analysis Branch, Office of Water
Regulations and Standards, USEPA.
Where several locations are being studied, the REACH file of STORET
offers an effective way of Identifying environmental characteristics and
monitoring data. If the locations correspond to the occurrence of
various Industrial facilities or publicly owned treatment works, selected
plants or the entire Industry (by SIC) can be located using the
Industrial Facilities Discharge (IFO) component of REACH. Flows for each
stream segment (I.e., reach) can be summarized by using GAGE, which 1s
also a component of REACH.
Relevant water quality characteristics (e.g., pH, suspended solids)
can be accessed by the main STORET Water Quality File which 1s Interfaced
with the REACH file, and the locations of drinking water Intakes can be
102
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Identified using the REACH Drinking Water Supply File. Thus, the REACH
file links several types of data needed for modeling. Currently, several
of the files 1n REACH are Incomplete with respect to coverage of
Industrial plants and locations of drinking water Intakes.
(6) Fate Process Data. Resources for fate process data were
discussed previously 1n Sections 2 and 3 (see Table 2). These resources,
which Include empirical data, literature estimates, and general methods
for estimating properties, can be consulted to provide the required
partitioning, degradation, and kinetic data. Empirical data are
preferred over estimates. If one or two processes are much faster or
account for much more of the mass than the others, the other processes
can usually be neglected, and the Input data for them are not required.
(7) Model Execution. Model execution entails Inputting the data
listed 1n Subsections 6.3.3(2) to 6.3.3(6), calibrating with ambient
monitoring data (when available), and outputtlng ambient concentrations.
The dilution calculation 1s expressed by a simple mathematical equation:
Cd = Ce • Qe + Cu • Qu
Qe + Qu
where C^ = concentration downstream of the effluent
Ce = concentration 1n the effluent
Cu = concentration upstream of the effluent
Qe = flow of the effluent
Qu = flow of the receiving stream upstream of the effluent.
The term Cu 1s often considered to equal zero unless there are
other sources upstream. If the nearest gaging station 1s downstream
Instead of upstream, the following assumptions are often made:
QU + Qe ~ Qd- or 1f
Qe << Qu. Qu = Qd« where Qd = flow downstream.
These assumptions are applicable only 1f there are no major tributaries
between the discharge point at the downstream gaging station.
Steps for execution of EXAMS and WHTM are provided 1n their
respective user's manuals, by Burns et al. (1979) and Patterson et al.
(1981).
103
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6.4 Exposure of Aquatic Biota
Exposure of aquatic biota 1s usually analyzed 1n terms of aqueous
concentration. Ambient concentration 1s derived by the process explained
1n Section 6.3.3, using monitoring data and/or models. The output should
be a description of the concentration gradient at various distances
downstream from the source. The distances will depend on the persistence
of the substance being studied, the hydrology of the system, and the
source strength.
Knowing the periodicity of releases Into the aquatic environment 1s
helpful when one compares calculated exposures to laboratory-generated
toxldty tests of known duration. For example, 1f a fish 1s harmed by a
10-ppm concentration 1n a 24-hour flow-through bloassay, there 1s no
reason to believe that 1t will be harmed by 1-ppm over a 10-day period
under field conditions. Most often, the exact periodicity of releases 1s
unknown and release 1s assumed to occur evenly and continuously; 1n these
cases, the periodicity of exposure 1s continuous. Where the temporal
release patterns are known more exactly from a detailed source
characterization (not described 1n this volume), the exposures can be
modeled separately for various release levels.
104
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no
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ill
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Industrial hygiene. New York, NY: Academic Press.
Smith AE, Brubalar KL. 1978. Workbook for comparison of air quality
models. Research Triangle Park, NC: Office of A1r Quality Planning and
Standards, U.S. Environmental Protection Agency. EPA-450/2-78-028 a and
b.
Spengler JD, Stone KR, Ulley FW. 1978. High carbon monoxide levels
measured 1n enclosed skating rinks. Jour. A1r Poll. Control Assoc.
28(8)-.776-79. Abstracted 1n Moschandreas et al. 1980. Indoor-outdoor
pollution levels: a bibliography. Electric Power Res. Inst. EPRI
EA-1025.
SRI. 1980. Chemical economics handbook, (updated yearly.) Menlo Park,
CA: SRI International.
SRI. 1981. Directory of chemical producers. Annual publication. Menlo
Park, CA: SRI Internatlnal.
Stern AC, ed. 1976. A1r pollution - Volume 1-3. New York, NY:
Academic Press.
Sullivan DA, Shanoff BS. 1981. Dispersion modeling. Trial. December
1981, pp. 50-53.
Thomas Register. 19 . Thomas Register of American manufacturers and
Thomas Register catalog file. Volumes 1-12. New York, NY: Thomas
Publishing Company.
112
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REFERENCES (continued)
USDOI. 1973. U.S. Department of the Interior. Outdoor recreation: a
legacy for America. Washington, DC: U.S. Government Printing Office.
USEPA. 1977. U.S. Environmental Protection Agency. Compilation of air
pollutant emission factors. Research Triangle Park, NC: Office of A1r
and Waste Management and Office of A1r Quality Planning and Standards
(AP-42).
USEPA. 1979a. U.S. Environmental Protection Agency. Environmental
modeling catalog. Washington, D.C.: U.S. Environmental Protection
Agency.
USEPA. 1979b. U.S. Environmental Protection Agency. Office of Research
and Development. Guidelines establishing test procedures for the
analysis of pollutants (proposed regulation). Fed. Reglst., December 3,
1979, 44:69464.
USEPA. 1979c. U.S. Environmental Protection Agency. Methods for the
chemical analysis of water and waste. Cincinnati, OH: U.S.
Environmental Protection Agency, Environmental Monitoring and Support
Labs.
USEPA. 1980a. U.S. Environmental Protection Agency. Monitoring methods
development In the Beaumont-Lake Charles area. Interim report.
Washington, D.C.: U.S. Environmental Protection Agency. EPA
600/4-80-046.
USEPA. 1980b. U.S. Environmental Protection Agency. TreatabllHy
manual. Volumes 1-5. Washington, DC: Office of Research and
Development, U.S. Environmental Protection Agency. EPA-600/8-80-0422.
USEPA. 1981a. U.S. Environmental Protection Agency. EPA guidelines for
performing exposure assessments. Washington, DC: U.S. Environmental
Protection Agency.
USEPA. 1981b. U.S. Environmental Protection Agency. The exposure
assessment group's handbook for performing exposure assessments. (Draft
report). Washington, DC: U.S. Environmental Protection Agency.
USEPA. 1981c. U.S. Environmental Protection Agency. EPA environmental
data base and model Index-draft directory. Washington, DC: U.S.
Environmental Protection Agency, Office of Planning and Management,
Information Clearing House.
USEPA. 1982. U.S. Environmental Protection Agency. EPA environmental
modeling catalog. Draft report. Washington, DC: U.S. Environmental
Protection Agency, Office of Toxic Substances.
113
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REFERENCES (continued)
USITC. 1981. U.S. International Trade Commission. U.S. Production and
sales statistics. Annual publication. Washington, DC: U.S. Government
Printing Office.
Versar, Inc. 1980. Materials balance and production and use documents.
Draft report. Washington, DC: U.S. Environmental Protection Agency,
Office of Water Regulations and Standards. EPA 68-01-3852.
Versar, Inc. 1982. Development of the environmental release data base
for the synthetic organic chemicals manufacturing Industry. Washington,
DC: U.S. Environmental Protection Agency, Office of Research and
Development.
Verschueren K. 1977. Handbook of environmental data on organic
chemicals. New York, NY: Van Nostrand/Relnhold Company.
Walsh M, Black A, Morgan A. 1977. Sorptlon of S02 by typical Indoor
sources Including wool carpets, wallpaper, and paint. Atmos. Environ.
February 1977. Abstracted 1n Moschandreas et al. 1980. Indoor-outdoor
pollution levels: a bibliography. Electric Power Research Inst. EPRI
EA-1025.
Weast RC. 1977. CRC handbook of chemistry and physics. 58th ed.
Cleveland, OH: CRC Press, Inc.
Weatherly ML. 1966. A1r pollution Inside the home. Intl. Jour. A1r
Water Poll. 10:404-09. Abstracted 1n Moschandreas et al. 1981.
Indoor-outdoor pollution levels: a bibliography. Elecrlc Power Res.
Inst. EPRI EA-1025.
White R. 1981. Organic chemical manufacturing. Volume 1: program
report. Research Triangle Park, NC: U.S. Environmental Protection
Agency.
Wlndholz M, ed. 1976. The merck Index. An encyclopedia of chemicals
and drugs. Rahway, NJ: Merck and Co., Inc.
114
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APPENDIX A
Information Resource Matrix
This appendix, an Information resource matrix, catagorlzes and
briefly describes currently available Information/data resources
pertinent to the methods for assessing exposure to chemical substances,
particularly these methods for the ambient, occupational and disposal
scenarios.
In addition to the actual matrix, brief descriptions have been
composed for each of the resources listed and are Included 1n this
appendix 1n the order 1n which they appear 1n the matrix. The
descriptions have been designed to merely provide Insight and guidance
with regard to any particular resource; they have been Intentionally
abbreviated to reduce the volume of the appendix. The page where each
Information resource description appears 1s Indicated 1n the first column
of the matrix.
This Information resource matrix 1s not Intended to be all-inclusive
1n Its coverage. Rather, 1t reflects a group of resources known to be
applicable to the exposure assessment methods used by OTS.
The matrix presents 77 Information resources that Include:
• computerized data bases
• bibliographic retrieval systems
• nonb1b!1ograph1c retrieval systems
• standard reference manuals
• encyclopedias, books, and special studies
These Information resources are grouped Into nine generalized
categories arranged vertically on the matrix:
t chemical Information
• air emissions
• water discharges
• waste disposal
117
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• ambient air
• ambient water
• bibliographic
• occupational resources
• miscellaneous
Information resources listed under each of the nine generalized
categories are alphabetized.
Descriptive parameters, arranged horizontally on the matrix, are
grouped Into five generalized categories:
• exposure framework
• frequency of update
0 period of record
• access
• responsible agency
The exposure framework category Includes eight headings:
physical/chemical properties; production and Import; use, transport,
export, and disposal; geographic distribution; environmental releases;
emissions characteristics; environmental fate/pathways; and ambient
concentrations. Strictly for the purposes of this appendix, each heading
can be explained as follows.
Physical/Chemical Properties Include molecular weight, ambient phase,
density, boiling point, melting point, vapor pressure, solubility, add
dissociation constant, vapor density, partition coefficient, and
half-life.
Production and Import Includes sources, volumes, and process
technologies. All tiers or levels of production may be Included.
Use. Transport. Export, and Disposal Include trade, commercial, and
consumer market activities and distributions; sources; volumes; modes of
transport; and techniques for disposal. Other parameters necessary for
materials balance analysis are Included here.
118
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Geographic Distribution Includes street address, county, state,
region, hydrologlc unit, latitude/longitude, etc.
Environmental Releases Include air emissions, water discharges, or
other pollutant releases from production; use, transport, disposal, and
other activities.
Emissions Characteristics Include stack height, exit velocity, plume
rise, periodicity, wastestream composition, etc.
Environmental Fate/Pathways Include photolysis, oxidation,
hydrolysis, volatilization, sorptlon, blotransformatlon, bloaccumulatlon,
and chemical spedatlon. Exposure pathways must also be addressed and
Include ambient loading, persistence, frequency and duration, and
receptor populations.
Ambient Concentrations Includes monitoring data for all ambient media
Including studies focusing on waste disposal and occupational area
monitoring.
The frequency of update category Includes five headings: continuous;
periodic; annual; two to four years; and, five or more years. This
category 1s concerned mostly with the computerized files; however, update
frequency can be applied to some hard copy resources such as special
reports or yearly surveys.
Continuous updating refers to weekly, dally, or hourly additions of
data as well as master file update.
Periodic updating refers to monthly, quarterly, or Irregular data
additions and master file update. Irregular updating Includes updates
controlled by budgetary constraints, or data collected on an "as needed"
basis.
Annual updating refers to yearly data additions and master file
update. Some continuously and periodically updated resources are also
updated on a yearly basis.
Two to four year updating and five years or more updating usually
apply to special surveys and reports.
A source with no bullet 1n this category Indicates that data
collection and/or data update has been terminated, In the case of
computerized files; or 1n the case of hard copy (books), only one edition
has been published.
119
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The period of record category Includes four headings: five years or
more; two to four years; one year or less; and special study. The
category refers to length of data collection for computerized files,
length of publication for hard copy resources, or one time special
surveys/studies.
The access category Includes three headings: hard copy,
computerized, and manual file. This category refers to the nature and
accessibility of the Information resources. Hard copy denotes books,
Journals, reports, etc., as well as microfilm/microfiche.
The responsible agency category Includes acronyms of the office,
agency, or firm responsible for generating and/or maintaining the
Information resources. The following table 1s Included as a key to the
acronyms.
120
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Key to Responsible Agency Acronyms
APTIC Air Pollution Technical Information Center
BLS Bureau of Labor Statistics
BRS Bibliographic Retrieval Services
CDC Control Data Corporation
CDS Chemical Data Services
CMA Chemical Manufacturers Association
CMH Considine (author) - McGraw Hill
CPSC Consumer Products Safety Commission
CSC Computer Sciences Corporation
DIALOG DIALOG Information Retrieval Service
EGD Effluent Guidelines Division
EMSL Environmental Monitoring System Lab - RTP
ERLA Environmental Research Lab - Athens
ERLD Environmental Research Lab - Duluth
FKCWI Faith, Keyes, and Clark (authors) - Wiley Interscience
HWTF Hazardous Waste Task Force
IERL Industrial Environmental Research Lab - RTP
IERLC Industrial Environmental Research Lab - Cincinnati
KOWI Kirk-Othmer (authors) - Wiley Interscience
KVVNR Karel Verschueren (author) - Van Nostrand Reinhold
MACSD M/A-COM Sigma Data
MDSD Monitoring and Data Support Division
121
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Key to Responsible Agency Acronyms
NFPA National Fire Prevention Association
NIOSH National Institute of Occupation Safety and Health
NLM National Library of Medicine
NSF National Science Foundation
OAQPS Office of Air Quality Planning and Standards
OHS Occupational Health Services
OPMO Office of Program and Management Operation
OPP Office of Pesticide Programs
OPTS Office of Pesticides and Toxic Substances
OPTSE Office of Pesticides and Toxic Substances Enforcement
ORD Office of Research and Development
OSW Office of Solid Waste
OTS Office of Toxic Substances
OWE Office of Water Enforcement
OWPO Office of Water Programs Operations
PCMH Perry and Chilton (authors) - McGraw Hill
PI1C Pergamon International Information Corporation
RED Regional Enforcement Divisions
SDC Systems Development Corporation
SRI SRI International
SSED Stationary Source Enforcement Division
USDA U.S. Department of Agriculture
USGS U.S. Geological Survey
USITC U.S. International Trade Commission
122
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CEH
The Chemical Economics Handbook (CEH) 1s a multl-volume loose-leaf book
concerned with the economic status and progress of the world's chemical
Industries. Participants (subscribers) are kept Informed regarding the present
and future status of raw materials, primary and Intermediate chemicals, chemical
product groups, the chemical Industry, and those aspects of other Industries and
the total economy that are relevant to the chemical Industry. Emphasis 1s
placed on future markets, both 1n terms of quantities and economies of chemi-
cals produced/consumed and the technological requirements of future demand.
Sections of the CEH are: Introduction; Index; Economic Indicators; Manual
of Current Indicators; Industry; Chemicals. The main body of CEH Is made up of
Reports and Data Sheets concerning Individual chemicals or groups of chemicals.
Data Sheets are summaries Including data on chemical production, sales,
consumption, price, manufacturing processes, producing companies, plant
locations, plant capacities, Imports, exports, and sources used. Yearly growth
rates can be extrapolated and compared using the standardized graphs and a
special protractor, Included with each CEH set.
Reports contain detailed analytical sections on topics covered by Data
Sheets. CEH Reports are written by subject specialists and reviewed by colla-
borating experts 1n the chemical Industry, market researchers, or product
managers.
A "Manual of Current Indicators" section reporting recent economic sta-
tistics 1s updated and reissued every other month.
CEH contains chemical Industry economic Indicators such as product growth
curves, production quantities, Inventory data, price, and export/Import ratios.
Plant locations, capacities and other data are gathered and updated
occasionally. Specialized volumes deal with specific Industries such as
pesticides.
Access:
CEH is available from SRI International, Menlo Park, CA.
Cost:
Hard copy 1s available for $7,500-9,000 depending on the number of spe-
cialized volumes desired. Computer tape with data listed therein are available.
Monthly indexes for the main body of the handbook and for the specialized vol-
umes are available at a subscription cost.
128
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Chemical Engineers9 Handbook
FIFTH EDITION
Prepared by a staff of specialists
under the editorial direction of
Robert H. Perry
Consultant
Cecil H. Chilton
Senior Advisor
Battelle Memorial Institute
McGRAW-HILL BOOK COMPANY
Now York SI louu San franciuo Aixkland ooaol*
DuMoldorf Johonnotburg London Madrid MOXKO
Mortrroal Now Oolhi Poname Part! Soo Paulo
Singapore Sydnov Tokyo Toronto
129
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Index to Sections for Quick Reference
DATA AND FUNDAMENTALS s.«,.n
Mathematical Tables ... 1
Mathematics 2
Physical and Chemical Data 3
Reaction Kinetics Reactor Design and Thermodynamics 4
HANDLING OF FLUIDS AND SOLIDS
Fluid and Particle Dynamics 5
Transport and Storage of Fluids 6
Solids Transport and Storage 7
Size Reduction and Size Enlargement 8
HEAT GENERATION AND TRANSFER
Heat Generation, Transport, and Storage . . . . . .... 9
Heat Transmission ... . 10
Heat-transfer Equipment 11
Psychrometry, Evaporative Cooling, Air Conditioning, and Refrigeration .... 12
PRINCIPLES OF DIFFUSIONAL OPERATIONS
Distillation 13
Gas Absorption 14
Liquid Extraction 15
Adsorption and Ion Exchange 16
Miscellaneous Separation Processes . 17
MULTIPHASE CONTACTING AND SEPARATIONS
Liquid-Gas System* 18
Liquid-Solid Systems 1°
Gas-Solid Systems 20
Liquid-Liquid and Solid-Solid Systems 21
ALLIED AREAS OF ENGINEERING
Process Control 22
Materials of Construction ... . . . . . 23
Process Machinery Drives 24
Cost and Profitability Estimation 25
lnd*x fotfows Section 25.
130
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CFCP
The Chemical Formulations of Consumer Products (CFCP) database contains
formulation (Ingredients with percentage) Information for over 15,000 U.S. con-
sumer products.
Data were collected directly from over 1600 manufacturers required to
report ingredients to a specificity 0.1%. Approximately 45% of the product for-
mulations were designated by the manufacturers as proprietary data or trade
secrets.
Data Files:
The database consists of four files: A Manufacturer-Product file con-
taining manufacturer names, codes, and addresses; a Product-Ingredient file
containing product names, codes, and formulation data; a Chemical Dictionary
file which is a name authority file relating Chemical Abstracts Service Registry
Numbers and nomenclature to trade names and other chemical names reported by
manufacturers; and a Bookkeeping file containing file status and management
data.
Access:
The file is accessible through the staff of the Consumer Product Safety
Commission, Bethesda, MD.
Cost:
Searches are free, as are some publications. Extensive searches may
involve some cost.
Update;
No longer named CFCP. Now named CHIPl and CHIP2 (CHemicals In Products)
Majority of information is proprietary. Other requests possdJDle through FOI
(Freedom of Information) channels. For further information contact:
Eliot Foutes, CPSC - Economics Division, (301) 492-6962.
131
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The NIH/EPA Chemical Information System CIS
In 1970, work was begun at the National Institutes of Health (NIH) to
determine the feasibility of online, Interactive searching of numeric,
chemical data bases. The first area to be studied was mass spectrometry,
and 1n 1972, a search system and a mass spectral library of approximately
10,000 spectra were developed as a joint effort between NIH and the U.S.
Environmental Protection Agency (EPA). This permitted searches for
compounds whose mass spectra possessed specific peaks and also for the
mass spectra of compounds having specific molecular formulas or molecular
weight.
Since then, a number of other numeric data bases and search systems have
been developed with much the same design. These components cover areas
that reflect the missions of the various supporting agencies of the U.S.
Government, such as carbon-13 nmr, X-ray diffraction, toxlclty and
regulation of chemicals.
As the various CIS data bases were being developed and merged Into the
public system, work was continuing at NIH and EPA upon the problem of
searching these data bases for specific chemical structures or
substructures. This led 1n 1978 to the releases of a Structure and
Nomenclature Search System (SANSS), which permits searching through any
or all of the data bases of the CIS for particular chemical structures or
substructures.
CIS Information 1s referenced on the SANSS data base 1n which every
chemical substance 1n the CIS 1s represented. SANSS 1s used to Identify
a chemical substance, given Its Chemical Abstracts Service (CAS) Registry
number, Its name, or Its structure, and refers the user to all CIS files
that contain data on the compound. Any such data can then be retrieved
with simple commands from the appropriate file or the CIS network.
Several new data bases are 1n process and will be added to CIS as soon as
development and testing are completed. These Include:
CHEMLAW
CESARS
CHRIS
Information on new additions and enhancement of existing data bases will
be announced through the Newsletter and NEWS messages available online In
CIS.
The retrieval Information from one component to another may easily be
done. The commands which allow this are known as UNIVERSAL commands.
Thus, a name search 1n SANSS may reference the CIS Mass Spectral Search
System (MSSS) and/or the NIOSH Registry of Toxic effects of Chemical
132
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Substances (RTECS). From the SANSS component, the NSHOW or the TSHOW
universal command will retrieve the mass spectrum or the NIOSH/RTECS
toxldty data, respectively. After retrieving the data the SANSS search
software 1s still 1n effect.
If your aim 1s to Identify a chemical substance from measurements made on
1t, such data can be entered Interactively Into any of the numeric data
components of the CIS, such as MSSS, or another appropriate system. The
search strategies 1n these CIS components will assist you 1n Identifying
the unknown material and the CAS Registry numbers of any matching
compounds will be provided to you. The Registry number can then be used
to locate Information pertaining to the compound 1n any other CIS
component.
The CIS has been developed and maintained by Fe1n-Marquart Associates,
Inc. of Baltimore, Maryland under contract to cooperating Agencies of the
U.S. Government and 1s available 1n the private sector for use by the
public on a fee-for-servlce basis. It 1s accessible world-wide through
the GTE-Telenet and Tymnet telecommunications networks.
133
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