United States
         Environmental Protection
         Agency
April-June
 1987
         Research and Development
&EPA  Research  Report
         Environmental
         Research
         Laboratory
         Athens, GA 30613

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                        THIRD QUARTER STATUS REPORT ON
                          FY87 PROJECT DESCRIPTIONS
     This report summarizes Athens Environmental Research Laboratory research
activities for the period April 1, 1987 to June 30, 1987.

      The status of work in progress toward meeting major planned outputs is
presented under descriptive project titles.  The report is an interim summary
of ongoing research with tentative conclusions based on careful analysis of
the research findings to date.  Project managers identified with each activity
would be pleased to provide additional information.

Highlights

Data Generated for Risk Assessment Models—Athens Laboratory chemists recently
have developed hydrolysis rate constants for 54 organic chemicals and octanoi-
water partition coefficients for an additional 22 chemicals.  The work is part
of a continuing project to develop input data for models for assessing risk to
human health posed by land disposal of hazardous waste.  In the project for the
Office of Solid Waste, 85 hydrolysis rate constants and 40 partition coefficients
have now been measured or obtained from the literature.  Dr. Jackson Ellington,
Mr. Frank Stancil, Mr. Bill Payne, and Ms. Cheryl Trusty are now working on the
"third-third" of the list of 362 compounds provided by OSW.

Updated QUAL2E Published—Printed copies of The Enhanced Stream Quality Models
QUAL2E and QUAL2E-UNCAS (EPA/600/3-87/007) are now available.  The documentation,
prepared by Dr. Lin Brown of Tufts University and Mr. Tom Barnwell of the Athens
Lab, presents the revised QUAL2E model, which is widely used for discharge permit
determinations, waste load allocations, and other conventional pollutant evalua-
tions.  The model is enhanced by an uncertainty analysis component.  This en-
hancement allows the user to conduct sensitivity analysis, first order error
analysis, and monte carlo simulation.

Athens Lab-Duluth Lab Paper Published—"Toward Modeling the Effects of Chemicals
Acting Jointly," a paper coauthored by Dr. Ray Lassiter of ERL-Athens and by
Dr. Steven Broderius of ERL-Duluth has been published in Methods for Assessing
the Effects of Mixtures of Chemicals.  The paper describes a model developed to
account for exchange of chemicals between the external aqueous medium and an
organism's body.  Based on the model, the relative times required for different
chemicals to reach a steady state in the body relative to external concentra-
tions is found to be in direct proportion to the ratio of their octanol-water
partition coefficients.

      This document has not been peer and administratively reviewed within EPA
and is for internal Agency use/distribution only.

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PAGE:
         DATE:

CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987

BUDGET

SUB-ACT:
PPA

VITY
SSUE
U)
PPA (S)
RC
PROJECT
PROJECT OFFICER



CODE
: B101
: A
: 10
TITLE


WATER
WQBA/PERMITTING
WASTELOAD ALLOCAT

ION
: 10 WASTELOAO ALLOCATION
: K ERL ATHNS
: 06 Environmental Process
: Richard G. Zepp
PLANNED
START; 10/01/80


MODELING


AND SUPPORT
Character 'zat ion
PHONE: FTS-250
PLANNED
END:
09/30/90
-3428

                   PROJECT DESCRIPTION:


                   GOAL:  Characterize key environmental processes (direct-indirect photolysis,
                   redox, sorpt1on/desorpt1on, metal binding) 1n water and sediment systems to
                   improve exposure and risk assessment models.
                   RATIONALE:  The roles of Inorganics 1n pollutant transformation by photolysis
                   and the kinetics of redox reactions are inadequately   understood for reliable
                   use  In exposure assessment models.  These processes are known to be
                   environmentally Important  1n many cases.  Toxic metal spedatlon and transport
                   needs further Investigation since metal toxicity depends upon the species
                   involved.
                   APPROACH:  Laboratory studies using natural waters  sediments and reference
                   materials w1l" be conducted to test proposed eqi,atlons for the kinetics of
                   transformation processes.  The studies will p-ovide rate/equilibrium constants
                   required  1n the models.  Compounds and reaction conditions will be selected to
                   permit generalizations about changes in molecu'ar structure and environmental
                   occurring Inorganic species; redox reactions of abiotic systerrs will be studied
                   relative  to b'otlc  Influences.  The binding characteristics of metals with
                   humic materials will be studied and distributer coefficients determined.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   The Interactions of photochemically produced  jron(II) with hydrogen
                   peroxide and resulting organic oxidations were studied during the quarter.
                   Using anlsole and nitrobenzene as chemical probes and octanol or formate  ion as
                   scavengers, we found that the yield of hydroxyl radicals from Fe(II )/hydrogen
                   peroxide was 40% at pH 6.2.  A promising techn'que was deve'oped for the  direct
                   simultaneous analysis of Fe(III) and Fe(ll) 1n natu-al waters.  Dr. Richard Zep
                   is stationed for the summer at the EAWAG Laboratory  in Switzerland, studying
                   photochemical processes with Swiss scientists.

                   Nitrobenzene reduction studies were extended to soil-water samples obtaine
                   from two aquifers.  The disappearance rate constants were approximately five

                                                 continued...
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON.FY'S7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH

                   ,»«»««»«««««»« "k iT!!Nl;«A«RiL,"«JilNE i987,

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   times slower 1n the aqjifer samples than  in sediment samples collected  in the
                   Athens area.  Detailed concentration studies cf substituted nitrobenzenes
                   indicated that the disappearance rate constants were dependent on the  initial
                   concentration of the nitrobenzene derivative.  Additional studies e.re  in prog-
                   ress to determine the rate limiting step  of tre reduction process.

                   Redox studies were performed on two carbama'.e pesticides, Propham end
                   Carbaryl, 1n an anaerooic sediment/water  system containing 10% solids.  Kinetic
                   results are being Interpreted; decay products of these two pesticides  will be
                   analyzed.   In addition to these redox studies, the  hydrolysis of chlorinated
                   organic compounds is currently being investigated.

                   Studies of  the degradation of synthetic dyestuffs  1n anaerobic sediments
                   continue.   The effects of pH on the distribution anc kinetics of reduction were
                   studied for a nonionizable dye, azobenzene, and an  1on1zable dye. Congo Red.
                   Results Indicate that pH will have little effect on the distribution and reduc-
                   tion of azo dyes containing non-ionizable functional groups.  For those dyes
                   that do contain ionlzable groups  pH will play an  important role 1r- their
                   distribution and, thus, transport 1n natural systems.  Changes in pH,  however,
                   may have little effect on the rate of reduction of  these dyes at tre sediment-
                   water surface.

                   Studies on  sorption of ionlzable organic  compounds  to soils, sediments  and
                   aquifer material continue.  Experimental  work confirms that partitioning of
                   the anlon of pentachlorophenol (pentachlorophenolate) between octarol  and water
                   is highly dependent on ionic strength of  the water  phase and that partitioning
                   1f both the Ion-paired phenolate and free phenolate species 1n-.o octanol is
                   important.

                   A workshop  enti-.led "Oxidation-Reduction  Processes  in Sediment/Water/
                   Aquifer Systems" was sponsored by ERL-Athens at Estes Park. CO. April  28-30,
                   1987.  A workshop on the Environmental Chem'stry of Dyes, organized by  the
                   Athens Laboratory, has been tentatively scheduled  for November 12-13   1987,  in
                   Pensacola,   FL.  A symposium entitled "Environmental Chemistry of Ionic
                   Xenobiotics " also organized by the Athens Laboratory, will be held at  the SETA
                   Conference  In November.

                   A reverse osmosis sampling system was developed, tested, and used on-site
                   by Georgia  Institute of Technology personnel to collect and concentrate by
                   twenty-fold 200g of dissolved organlcs 1n Suwannee  River (Okefenokee Swamp)
                   water.  Ninety-tive percent recovery of total dissolved organlcs was obtained.
                   This organic material will be fractionated to provide the necessary quantity of
                   fulvlc and  humic acids for use by Georgia Tech. University of Georgia,  and
                   inhouse researchers studying metal-organic interactions.
                                                 cont inued . . .

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PAGE:     3                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL -JUNE 1987^


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Work continues at the University of Georgia on use of laser-excited
                   lanthanide ion fluorescence for characterization of metal binding sites 1n
                   humlc materials.  Several experiments were completed to establish the precision
                   and accuracy of the recently installed spectrometer system.   These included
                   experimental measurement of the emission spectra and lifetimes of Eu(III),  Mos
                   Importantly  confirmation of earlier experimental results 01 the binding of
                   Eu(III) by humlc acid was attained.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   I 7153  JOURNAL ARTICLE ON INDIRECT PHOTOCHEMICAL PROCESSES IN AQUATIC
                           ENVIRONMENTS
                           DUE:  12/31/86   REVISED: 01/01/00   COMPLETED: 12/31/86
                                                                                                             DATE:   8/13/87

                                                                                                   CLIENT OFFICE:
                                     THIRD  QUARTER  STATUS  REPORT  ON  FY'87  PROJECT  DESCRITPIONS
                                      OFFICE  OF  ENVIRONMENTAL  PROCESSES AND  EFFECTS  RESEARCH
                                                EH ATHNS: APRIL  - JUNE 1987

BUDGET
CODE
SUB-ACTIVITY: B101
ISSUE: A
PPA (L): 10
PPA (S): 10
RC: K
PROJECT: 11
PROJECT OFFICER: David

PLANNED
TITLE
WATER
WQBA/PERMITTING
WASTELOAD ALLOCATION MODELING AND SUPPORT
WASTELOAD ALLOCATION
ERL ATHNS
Biodegradation 8 Bioac cumulat ion Processes and
L. Lewis PHONE: FTS-250-3358
START: 10/01/85 PLANNED END: 09/30/c.'5


Systems Res.

                    PROJECT  DESCRIPTION:
                    GOAL:   To  test  the  predictive  accuracy  and  deteriiint  the  applicability  of
                    mlcrobial  transformation  rate  coefficients  for  water  quality  models  and  to
                    evaluate bloaccumulation  of  toxicants  1n  aquatic  organisms  in -elation  to
                    thermodynamlc  equilibrium  processes.
                    RATIONALE:   This  resea-ch  is  required  to  produce  a  reliable  approach  to
                    predicting  biologically  mediated  accumulation  and degradation  of  pollutants  for
                    water  quality  and  risk assessment  models.
                    APPROACH:   Rate  coefficients  'or  mlcrobial  transformation  of xenobiotic
                    chemicals will  be  determined  using microbla" populations  collected  from  fresh
                    water  field  sites.   Bioaccumulation in organisms  of  varying  size,  llpid  content
                    and  species  will  be  de-.ermined  using  toxic  chemicals  with  varying  partition
                    coefficients.   Coefficients determined in  the  laooratory  will  be  compared  with
                    field  data.  Predictions based  on  thermodynamlc  calculations will  be  compared
                    with experimental  results.

                    PROJECT  STATUS  AND ACCOMPLISHMENTS TO  DATE:
                    A  paper,  "Predicting  Substrate  Removal  Rates  of  Attached  Microorganisms  an
                    the  Relative  Contributions  of Attached  and  Suspended  Communities  in  the  Field"
                    (Lewis  and  Gattfe)  was  submitted  to  Appl1ed_and_Environmental_Microbiology.   An
                    abstract,  "Predicting Substrate Removal  Rates  and  the  Relative  Contributions  of
                    Attached  and  Suspended  Mlcrobial  Communities  1n  the Field"  (Lewis  and  Gattie),
                    has  been  cleared  for  a  poster presentation  at  the  1987  SETAC  meeting  in  Pensa-
                    cola, FL.   Also,  one  paper,  "Microbial  Biogeochemical  Processes  in a  Naturally
                    Acidic  Wetland,  the Okefenotcee  Swamp"  (Hodson  Moran,  Lewis,  Murray,  Teska   and
                    Benner),  1s being cleared  for publication  1n  the CRC  series,  "Microbial  Interac
                    tions  in  Acid  Stressed  Aquatic  Ecosystems"  (S.S. Rao,  ed.).

                    Field studies  using two esters  of 2,4-dichlcropTenoxyacet 1c  acid  and
                    diethyl  phthalate are being  conducted  to evaluate  the  usefulness  of  a  second-
                    order model fo'  predicting  degradation  rates  of  organic substrates by  attached

                                                 continued. . .

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PAGE:     5                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITP10NS
                                     OFF'CE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   mlcrobiota.  The mode" is applicable to shallow aquatic ecosystems such as
                   streams and wetlands.

                   A complete se~. of lip'd fractions standards has been run on the latroscan
                   thin-layer chromatography Instrument,  and the curves analyzed by Labtech Chrom.
                   Characterization and quantification of fish I1p1ds can now oe carried out for
                   use 1n the development of mocels for exchange of neutral organlcs.

                   SCHEDULE AND STATUS OF DELIVERA8LES:


                   # 6881  Report on the Relationship Between L1pid Content, Body Burden,  and
                           Thermodynamic Calculation of Bioaccumjlat1on
                           DUE: 07/31/86   REVISED: 07/31/87   COMPLETED: 07/31/87

                   # 7671  JOURN. ART  ON PREDICTING SUBSTRATE REMOVAL RATES OF ATTACHED MICROORGANISMS
                           & THE RELATIVE CONTRIBUTIONS OF ATTACH. & SUSPENDED COMMUNITIES IN THE FIELD
                           DUE: 08/30/88   REVISED: 01/01/00   COMPLETED: 01/01/00
 SGE:    6                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCK'ITP IONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


BUDGET SUB-ACTIVITY
ISSUE
PPA (L)
PROJECT

PPA (S)
RC
PROJECT
OFFICER

CODE
: B101
: A
: 10
: ID
: K
: 19
: Robert
PLANNED
TITLE

WATER
WQBA/PERMITTING
WASTELOAD ALLOCATION
WASTELOAD
ERL ATHNS
Uasteload
B. Ambrose
ALLOCATION
Al location


MODELING
Model 1n
PHON
g.
START: 10/01/80 PLANNED END:

AND
and
: FTS


SUPPORT
Supp
-250
ort
-3546
12/31/99
                   PROJECT DESCRIPTION:


                   GOAL: Assemble, modify or develop, and test arrays of wasteload allocation
                   (WLA) models for conventional and toxic pollutants for streams, rivers, lakes,
                   and estuaries aid provide OW with guidance and user assistance through the
                   Center for Water Quality Modeling (CUQM).
                   RATIONALE:  Water quality-based NPDES revisions, WLAs, AWT assessments.
Center for Water Quality Modeling (CUQM).
RATIONALE:  Water qua 11ly-based NPDES rev   .  ... 	      	
use-attainability activities  and BMP selection by CW,  Regions, States, and
local governments require scientifically defensible modeling packaces  including
                   documentation, data bases, training  and user assistance.
                   APPROACH:  Gaps  in existing WQ modeling packages will be  identified through
                   applied  studies  conducted  in cooperation with OW and with ORD Laboratories.
                   Developments or  modifications will fill scientific gaps  (e.g., metals
                   speciatlon and sed1men--water pollutant exchange routines) and improve
                   ease-of-use  (e.g., interactive model setups and microcomputer packages).  Uier
                   assistance will  include developing guidance documents  operating the CWQM to
                   training seminars and workshops as required, and providing hands-on useres on re
                   assistance as resources permit.

                   PROJECT  STATUS AND ACCOMPLISHMENTS TO DATE:
                   Test versions of the WASP4.1 program  generalized from WASP3  WASTOX, and
                   EXAMSI1, are ready for distribution to peer reviewers.  An HSPF PC-compatible
                   release was completed.  The PC version 1s a full  implementation of the HSPF
                   program.  Comparisons between IBM PC/AT and DEC VAX  Indicate PC performance  1s
                   only 6  to 8 times slower than the VAX's optimum performance.

                   Tom Barnwell, Scarlett Vandergrift, and John Connolly presented a workshop
                   on the  Water Analysis Simulation Program  (WASP) in Madrid, Spain, May 15-22
                   1987.

                   A paper  "Wate- Quality Software Available from U.S. EPA" (7152C)  by Tom
                   Barnwell, Bob Anbrose, and Scarlett Vandergrift was  published in the Interna-

                                                 continued...

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PAGE:    7                                                                                      '            DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL -JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   tional Association on Water Pollution Research and Control (IAWPRC) newsletter.

                   Or  Steve McCutcheon attendee a meeting of the Green Bay Modeling Committe
                   to assist Great Lakes National Program Office and ERL-Duluti 'n design of
                   studies of Green Bay, May 27-28, 1987.

                   The Center for Water Quality Modeling distributed 602 PC versions of
                   supported models during the second quarter of FY87.

                   SARAH was refined for implementation on microcomputer.  All current
                   scenarios have been completed and tested.  Scenarios for oily wastes will be
                   added later.

                   SCHEDULE AND STATUS OF DELIVERABLES:


                   * 7158  REPOR' ON UPDATED DOCUMENTATION FOR QUAL II  INCLUDING UNCERTAINTY
                           ANALYSIS.
                           DUE: 09/30/86   REVISED: 02/28/87   COMPLETED: 02/28/87

                   t 7551  ONE EXISTING TRAINING COURSE THROUGH CWOM
                           DUE: 08/30/87   REVISED: 09/30/88   COMPLETED: 01/01/CO

                   * 7552  TWO NEW TRAINING COURSES THROUGH CWQM, POSSIBLY INCLUDING MINTEQ,
                           EXAMS  II AND DYNTOX.  (K)
                           DUE: 08/30/87   REVISED: 01/01/00   COMPLETED: 01/01/CO
                                                                                                            DATE:  8/13/87

                                                                                                   CLIENT OFFICE:
                                     THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                                        CODE      TITLE

                   BUDGET  SUB-ACTIVITY: B101      WATER
                                  ISSUE: A         WQBA/PERMITTING
                                PPA  (L): 13        ECOLOGICAL RESEARCH WITH THE PEOPLE'S REPUBLIC OF CHINA

                                PPA  (S>: 13        CHINA AGREEMENT  - WQ
                                     RC: K         ERL ATHNS
                                PROJECT: 20        Ecological Research w'th the Peoples Republic of China  (PRC)
                        PROJECT  OFFICER: Rosemarie^C. Russo               PHONE: FTS-250-5134

                                      PLANNED  START: 10/01/84     PLANNED END: 09/30/89


                   PROJECT DESCRIPTION:
                    GOAL:   Participate  jointly with  PRC  scientists and engineers  ii  the-  refinement,
                    application  and  field  testing of environmental fate and exposu-e models for
                    pollution  control strategy development  and  assessmert and  1n  the study of
                    environmental  transformation processes.
                    RATIONALE:   To  support  U.S. policy to  provide scientific and  technclogical
                    cooperation  witn  the PRC, specifically  Annex 3 of Ue 1980 US-PRC Environmental
                    Protection Protocol.
                    APPROACH:  Via  a  combination of  tailored model refinement  projects and
                    technology transfer workshops, the PRC  will be helped to acquire and apply an
                    array  of approp*iate environmental assessment methodologies for  their use.
                    Athens  ERL will  design  and monitor PRC  field evaluations of selected models.
                    The  technology  developed  and transferred w1"l also te high priority  for
                    region/state use  in the U.S.  Metals  process characterization  studies will also
                    be  conducted to  elucidate the transformation and transport of  metals 1n surface
                                       and subsurface environments.

                    PROJECT STATUS  AND  ACCOMPLISHMENTS TO  DATE:
                    Mr.  Jin  of  Chinese  Research  Academy  of  Environmental  Sciences  (CRAES)  is
                    working  at  ERL-Athens  on  metal  interactions  with  hutric  substances.   The absorp-
                    tion  spectra  of  well-characterized humlc  substances were  recorded with the
                    scattered transmission  accessory  at  different  pH  levels and  saturated with dif-
                    ferent metal  cations.   This  approach  resulted  in  the  resolution  of  bands  not
                    reported  previously:  the  location and  Intensity of the  absorption bands varied
                    with  pH  and character  of  the  metal cation.   Analysis  of these  bands  is expected
                    to  provide  clues  to  the nature  of the metal  binding chromaphores.   Sorption
                    studies  of  14  metals with hum'.c substances at  pH  4 were completed and the re-
                    sulting  1sothe-ns calculated.   Competitive sorptlon (14 metals of equal concen-
                    tration)  studies  with  different humlc substances  were completed.

                    Mr.  Lin  of  Beijing  University 1s  working  at  ERL-Athens  on meta"  inter-

                                                  continued . . .

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PAGE:    9                                                                                                  DATE;   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT 01 FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   actions with sulfides.  Four sulflde minerals--pyr He, galena, chalcoclte and
                   sphaler 1te--uere selected anc size fractions obtained.  Removsl of sulfur oxi-
                   dation products on the pyrite surface was necessary prior to tny sorptlon
                   studies.   Sorptlon studies of 10 metals singularly with the four sulfide
                   minerals and competitive sorption with 10 metals were completed; suspension
                   pH was that of the mineral suspension.  Adsorption Isotherms, partition coef-
                   ficients and -.hermodynamic parameters are being calculated.
                   Robert Ambrose, Steven McCutcheon, and Mac Long conducted a WASP4 workshop
                   in Beijing for Chinese scientists from collaborating Institutes.  This model
                   will be used 1n collaborative US-PRC studies.  Detailed research plans are be-
                   ing developed for the Lake Boston study (Xinjiang Institute) and Harbor Study
                   (Nanjing University).

                   The joint US-PRC-Canada Symposium on F1sh Physiology  Toxicology, and
                   Management 1s now scheduled for September 14-16, 1988,  1n Guargzhou.

                   Source Code anc Example Applications for QUAL2E Version 3.0 were prepared
                   for release in July.

                   PRC visiting research associate, Mr. Qian Song, has produced Interesting
                   results exploring the Impact of covariance among model  Inputs on uncertainty
                   analysis.  Usirg O'Connor's analytical solution to the Streeter-Phelps
                   equation, he fcund that consideration of cova-iance results in  a 20-30%
                   increase in uncertainty estimates.  These results, 1f confirmed, are  signifi-
                   cant as they irdicate that we cannot make the assumption of independence  ir
                   model  Inputs.

                   SCHEDULE AND STATUS OF DEL IVERABLES :
                   * 7174  MAGNETIC TAPE OF SWMM  III.4 INCLUDING CORRECTIONS AND
                           ENHANCEMENTS.
                           DUE:  12/31/87   REVISED: 01/01/00   COMPLETED: 01/Oi/OO

                   # 7556  INTERNAL REPORT ON APPLICATION OF MODELS FOR CONVENTIONAL AND TOXIC
                           POLLUTION ASSESSMENT IN THE PRC. (K)
                           DUE:  09/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   # 7557  INTERNAL REPORT ON JOINT US-PRC STUDIES ON POLLUTANT TRANSFORMATION
                           PROCESSES.  (K)
                           DUE:  09/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   # 7673  REPORT ON MODIFICATION/APPLICATION OF QUALII E-UNCAS FOR
                           WASTELOAD ALLOCATION.  (K)
                           DUE:  11/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00
         10                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                     THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITP10NS
                                      OFFICE  OF  ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                                ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET  SUB-ACTIVITY: B101     WATER
                                  ISSUE: A        WQBA/PERMITTING
                               PPA  (L): 15       ARTIFICIAL  INTELLIGENCE AND EXPERT SYSTEMS

                               PPA  (S): 15       EXPERT SYSTEMS
                                     RC: K        ERL ATHNS
                               PROJECT: 08       Expert System for Prediction of 3hysical/Chemical Parameters
                        PROJECT OFFICER: Samuel  W. Karickhoff             PHONE: FTS-2&0-3H9
                                      PLANNED^START: 06/01/85^   ^PLANNED^END: 09/30/68^


                   PROJECT DESCRIPTION:
                    GOAL:   To  develop  computational methods  for  estimation  of  fundamental
                    reactivity  parameters  (rate  constants,  equilibrium  constants, etc.)  for
                    various  compounds  based  on  their molecular structures alone.
                    RATIONALE:   A major  portion of the  pollutant  fate  program  at  Athens ERL  1s  the
                    development  of mathematical relationships describinc the rate/extent  of
                    individual transformation/transport  pathways  for pollutants  1n aquatic or
                    terrestrial  ecosystems.   Current models  require as  Inputs  certain  fundamental
                    reactivity  parameters.   Algorithms  providing  for  a  priori estimation of these
                    chemical parameters  are  needed to enable use  of process models 1n  situations
                    where measured parameters are not available.   Recent advances  in computer
                    technology enable  the use of  computers to integrate  theoretical  (qualitative
                    and quantitative)  and heuristic reasoning with aoproprlate data  to produce
                    predictive algo-1 thins of  the  type needed.
                    APPROACH:  An expert  systems  shell  will  be constructed  to:   (1)  discriminate
                    noncontribut 1ng units,  (2)  develop  rules for  classifying and  character iz Ingersus
                    calibrate' with regard  to reactivity.

                    PROJECT  STATUS AND ACCOMPLISHMENTS  TO DATE:
                   Approximately  15,000  1on1zation  constants  for  pKa  and  pKb  have  been
                   collected  from the  literature  and  cataloged.   A  pK database  has  been  designed
                   for  Input  of tie  constants.   This  will  be  used to  test  the  reliability of  the
                   computational  algorithm  for  predicting  values  of  pka and pKb.   The algorithm
                   for  computing  oK  has  been  written  in  Prolog.

                   An additional  580 UV  absorption  spectra  have been  digitized  and  added to
                   the  spectral database.   This  database will  be  used for  calibration of computa-
                   tional  algorithms and  validation of the  expert system's predictive capability
                   for  photochemical rate constants.  The  scheme  for  computing  stertc effects of
                   substHuent groups  at  two  levels distant from  tie  center or  mass  of the molecul
                   was  implemented.

                                                  cent 1nued . . .

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PAGE:    11                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL -JUNE 1987^


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Work continues to:  1! develop a second molecular orbital computational
                   scheme suited for non-alternate organic compounds, 2) extend structural query
                   and spectural computational schemes to compounds having three or four condensed
                   rings, and 3) evaluate software and modify the code for graph'c input of
                   molecular structure into SPARC.

                   SCHEDULE AND STATUS OF OELIVERABLES:
                   # 6927   Journal Article Describing Algorithms for Estimating
                            Photochemical Rate Constants from Chemical Properties
                           DUE: 01/31/87   REVISED: 01/01/00   COMPLETED: 01/31/87
 AGE:   12                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               E3L ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: B101     WATER
                                  ISSUE: A        WQBA/PERMITTING
                               PPA  (L): 15       ARTIFICIAL INTELLIGENCE AND EXPERT SYSTEMS

                               PPA  (S): 15       EXPERT SYSTEMS
                                    RC: K        ERL ATHNS
                               PROJECT: 18       Al/ES for EnvircnmenUl Management
                       PROJECT OFFICER: Thomas Barnwell                  PHONE: FTS-250-3175
                                      PLANNED START: 10/01/85     PLANNED END: 12/31/90


                   PROJECT DESCRIPTION:
                   GOAL:  To develop, modify and apply experimental knowledge-based e>pert systems
                   for environmental assessment needs,
                   RATIONALE:  Use of expert systems  (ES)  1n model calibration, applica- tion  and
                   verification will provide uniformity of model application for NPOES permitting
                   under the Clean Water Act.  Expert systems can  identify chemicals that have
                   potential adverse ecological and health effects and can help Identify
                   substances encountered  in the analysis  of pollutants and predict ttelr fate 1n
                   water.
                   APPROACH:  AI/ES programs will be  Integrated witn some of the most widely used
                   water quality nodels to facilitate data handling and the Interpretation of
                   model output fo- assessing the impacts  of wastewater discharges.  ES concepts
                   will  Initially be applied to QUAL-II.   A seminar-workshop will be conducted to
                   help  develop ORO and Program Office Al/ES capability and to demonstrate the
                   utility of ES technology.  An expert system will be developed -.0 estimate
                   transformation of pollutants and  later for hydrolysis and other processe.
                   concepts will also be applied to  screen chemical structures for potential
transformation of pollutants and later for hydrolysis and other processe.   ES ph
concepts will al<  '      - ...                 -  J•    •      -     ....
care Inogenidty.

PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Cooperative work by Mr. Thomas Barnwell and Dr. Linfield Brown continues
                   1n the development of an expert system application package for the QUAL2E model

                   An ORD/Program Office workshop on AI  languages was held  in Athens on
                   June  7-10.  Dr. Don Nute of the University of Georgia's  Advanced Computational
                   Methods Center led the workshop, which Included A 2-day  PROLOG tutorial.

                   The Implementation of all the program elemerts o* an expert system for
                   analyzing the zone of initial dilution in waters receiving pol"utants has been
                   completed.  A paper describing the work,  "Expert System  for Mixing Zone Analysl
                   of Toxic and Conventional Discharge," has been Drepared  for the National Con-

                                                 cont 1 nued . . .

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PAGE:
        13
        14
                                                           DATE:

                                                  CLIENT  OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   ference on Hydraulic Engineering 1n August.

                   A paper entitled "Uncertainty Analysis in Wate- Quality Model'ng Using
                   QUAL2E" (7157B) was prepared for publication in the proceedings of the 1st
                   Symposium on System Analysis 1n Water Quality Management, June 30, 1987,  London
                   England.

                   Dr  Llnfield Brown presented a paper, "An Expert Advisor fo- the QUAL2E
                   Model," at the spring AGU meeting in Baltirrore.

                   Drs. Anil Nerode and Wiktor Marek  experts on knowledge engineering and
                   expert systems, are working with Ron Mosely of ERL/RTP on an expert system for
                   radon contamination through the cooperative agreement with University of
                   Pittsburgh.

                   SCHEDULE AND STATUS OF DEL IVERABLES:
                   # 7161  EXPER7 SYSTEM FOR ASSESSMENT OF THE ZONE OF INITIAL
                           DILUTION (ZID) AND THE MIXING ZONE IN RIVERS.
                           DUE: 03/31/87   REVISED: 03/31/88   COMPLETED: 01/01/00
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               EU ATHNS: APRIL - JUNE 1987
                                        CODE

                   BUDGET SUB-ACTIVITY: BlOl
                                  ISSUE: A
                               PPA  (L): 16
TITLE

WATER
WQBA/PERMITTING
WETLANDS RES.  ON WQ,  MITIGATION 4 CUMULATIVE EFFECTS OF LOSS
PPA (S): 16 WETLANDS
RC: K ERL ATHNS
PROJECT- 01 Predictive Models for Evaluating WQ Benefits
PROJECT OFFICER: Harvey W. Holm PHONE: FTS-250-3103
PLANNED START: 06/01/86 PLANNED END: 09/30/90
of Wetlands

                   PROJECT DESCRIPTION:


                   GOAL:  To develop a modeling technique for evaluating the water   quality
                   benefits provided by wetland ecosystems.
                   RATIONALE:  Wetlands  primarily through actions of mlcrobial communities,
                   provide environmental benefits by capturing organic toxicants ana heavy metals.
                   This pollution  control function must be evaluated ard documented sc that the
                   beneficial effects of wetlands in water quality mairtenance can be evaluated
                   against the economic value of  land development.
                   APPROACH:  The  microbiological community ecodynamics that crea'.e toxicant
                   dissimilation capacities and the environmental ciemodynamics of heavy metals
                   will be characterized.  This will include  investigation of the effects of
                   geographic and  seasonal variables on process dynamics, the Interactions of
                   nutrient and toxicant loadings  and the load-bearing capacities of wetlands.
                   This Information along with other AERL work 1n ecological risk analysis will be
                   used to develop a nutrient-organic toxicant-heavy metal computer model that can
                   objective tool  for rational risk/benefit evaluations 1n specific wetlandlsion ma
                   basins, an

                   PROJECT STATUS  AND ACCOMPLISHMENTS TO DATE:
                   A draft design  report on the decision support systetr for regulation based
                   on water quality functions of freshwater wetlands  (7487A) was completed by MUe
                   Timpe.  The primary objective was to develop an  integrated system that  is flex-
                   ible enough to  accommodate continuing expansion  and future development, while
                   delivering state-of-the-art analytical simulation  capabilities.  Other  activ-
                   ities were:

                   1.  Analysis of Functional Objectives. (Objective:  Determination of suitable
                   Input data and  definition of the  informatlor to  be generated bv the software.)
                   Distribution of the draft des'gn  report should generate useful"comments.  Timpe
                   presented an Information seminar  to the Risk Assessment group describing the
                   overall softwa-e systems development from the perspectives of the wetlands pro-

                                                 continued . . .

-------
PAGE:   15
         DATE:

CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT 0V FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987
                                                                                                                   8/13/87
 AGE:   16
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   ject and its defined objectives, as well as the larger view of EPA's simulation
                   modeling development strategies In general.  Burns and T1mpe participated ir, an
                   EPA/NASA meeting to explore potential for joint user applications for routine
                   usage of remoie sensing data.

                   2.  Database Management and CIS Interface.   (Objective:  Construction of soft-
                   ware for management of natural resource datasets with  Interface software for
                   Geographic Information Systems (GIS), simulation models and graphical outputs.)
                   T1mpe performed some initial cleanup and test compilations of the ANNIE and WDM
                   (Watershed Database Management System) routines.  A summary overview of the
                   current system was included in the design report.   T1mpe participated 1n a work
                   session to focus on the detailed Incorporation of graphics standards and the
                   mechanics of the WDMS/GIS  Interface, and is currently  reviewing a large commer-
                   cial graphics library (RPA CAPLIB) for potentia" conversion to the WDMS system.
                   The software would support the GIS graphics standard,  and would become public
                   domain.  Timpe participated in the EROAS User's Group  Meeting April 9-10 to
                   learn more about the range of applications to which image processing technology
                   is being applied.  A number of users have suc:essfully applied the technology t
                   the solution of problems similar to those we face in our research program, and
                   we should benefit significantly from their exoerlence.

                   3.  Simulation Models.  (Objective:  To assemble and code ecological models to
                   describe the water quality benefits of wetland ecosystems and place them ir a
                   landscape context for the  evaluation of their public value and replacement
                   costs.)  Timpe performed a maintainability analysis on the EXAMS program at
                   EPA's Nationa" Computer Center with the Maintainability Analysis Tool (MAT).
                   The output from this analysis Indicated some -eal or potential problems  in the
                   code, which were investigated and corrected as reeded, for production of an
                   upgrade version of EXAMS   Work 1s proceeding to produce a minimal superset fro
                   the existing COMMON blocks  1n HSPF prior to applying the MA" static analysis.
                   Completion of this large task will maximize the userul Information from the MAT
                   analysis and will lay the  groundwork for future pro-gram modification.  The com-
                   plete library of available microcomputer software w.ns  obtained from the Army
                   Corps of Engineers Hydrologic Engineering Center.   A number of these packages
                   are candidates for adaptation.  In particular, HEC-1 Flood Hydrograph Package,
                   HEC-2 Water Surface Profiles, and HYOPAR Hydrologic Parameters can provide
                   useful services for a wetlands modeling system.

                   4.  Field Investigations.   (Objective:  Collaborative  research with ongoing wet
                   lands research projects designed to test databc.se management systems and simu-
                   lation models, and provide data to assist  1n model development.)  Arrangements
                   for the "northern wetlands mesocosms" mandated by the  ERL-Corva11 is "Wetlands
                   Research Plan" were begun  this quarter; an IAG with USGS for work at a
                   St. Joseph, MN, wetland was submitted in June.  A cooperative agreement to
                   contribute agreed upon funds to the Des Plains River Study will be submitted  in

                                                 continued. . .
                                                                                                            DATE:  8/13/87

                                                                                                   CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               EU ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   July.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   t 7487  Report on design of a decision support system for regulation
                           based on Water Quality functions of freshwater wetlands.
                           DUE: 12/31/86   REVISED: 06/30/87   COMPLETED: 06/30/87

                   # 7489  Process-based ecosystem model of water quality functions of
                           freshwater wetlands.
                           DUE: 09/30/87   REVISED: 01/31/89   COMPLETED: 01/01/00

-------
PAGE:   17                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITP10NS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987^

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: 8101     WATER
                                 ISSUE: C        WASTE WATER TREATMENT TECHNOLOGY
                               PPA (L): 46       INDENT. OF TCXIC CHEMICALS IN INDUSTRIAL EFFLUENTS

                               PPA (S): 46       TOXICS IDENT.
                                    RC: K        ERL ATHNS
                               PROJECT: 02       Identify and Compile Data on Occurrence of Organics
                       PROJECT OFFICER: John M. McGuIre                  PHONE:  FTS-250-3185
                                      PLANNED START: 10/01/82     PLANNED END:  09/30/90


                   PROJECT DESCRIPTION:
                   GOAL:  This research will identify and determine distribution of unlisted
                   chemicals In industrial wastewaters.   Compounds that can be identified by
                   empirical mass spectra matching as well as those that elude identification by
                   this technique will be included.
                   RATIONALE:  The current list of pollutants that are regulated in industrial
                   wastewaters was established without accurate 
-------
PAGE:   19                                                                                                  DATE:   6/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: D109     HAZARDOUS WASTE-NONENERGY
                                 ISSUE- C        WASTE CHARACTERIZATION
                               PPA (L): 28       LAND DISPOSAL BANNING ASSESSMENT AND EVAL OF OTHER MGMT SYST

                               PPA (S): 28       LAND DISP BANNING
                                    RC:  '        "'  	
                                    RC: K        ERL ATHNS
                               PROJECT: 03       Measure Rate Constants and Partition Coefficients
                       PROJECT OFFICER: Jackson^Elllngton^ ^             PHONE:^FTS-250-3197

                                      PLANNED START: 10/01/85     PLANNED END: 12/31/99
                   PROJECT DESCRIPTION:


                   GOAL:  Provide accurate rate constants of known precision for Implementing the
                   Hazardous Waste Management Amendments  Including evaluating waste management
                   and treatment needs based on potential human letlth and environmental impacts.
                   RATIONALE:  Current regulatory activities including RCRA Reauthorizat 1on
                   requirements relative to Land Disposal Evaluation are demonstrating the lack of
                   consistent methods and data for determining tie health and environmental impact
                   of various regulatory options.  Accurate pollutant degradatlor rate constants
                   of known precision are needed for more sclent1J'cally sound ard consistent
                   decision-making on waste management options.
                   APPROACH:  Experimental techniques will be adapted or developed,  standardized,
                   and applied to measure degradation rate constants and partition coefficients
                   for selected organic chemicals.  Measured and literature Information will be
                   Incorporated ir.to computerized data bases for use with multimed1a models fcr
                   evaluating waste management and treatment needs relative to the Land Disposal
                                       Evaluat ion.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   During the quarter, measurements were completed for the remainder of the
                   hyd'olysls rate constants and octanol/water partition coefficients for which
                   data were missing  in the "second third" of the Appendix VIII compounds being
                   evaluated under the land decision rule.  Identities of the compounds measured
                   were confirmee by mass spectrometry and infrared spectrometry.   Data are pub-
                   lished in two reports:  "Measurement of Hydrolysis Rate Constants for Evaluatio
                   of Hazardous Rate Constants for Evaluation of Hazardous Waste Land Disposal:
                   Volume II.  Data on 54 Chemicals,"  (7686A) by J. Jackson El~1nqton; Frank E.
                   Stancil  Jr; William D. Payne: and  Cheryl Trusty, and "Octanol/Water Partition
                   Coefficients for Evaluation of Hazardous Waste Land Disposal:  Part 2. 'Second
                   Third1 Chemicals," (7687A) by Ellington and Stancil.

                   A poster session, "Use of Standard  Reference Compounds to Assure Compara-

                                                 cont inued...
                                                                                                            DATE:  8/13/87

                                                                                                   CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               EH ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   bllity of Hydrolysis Rate Constant Measurements," by Ellington  Sttncil and
                   Payne, was presented at the 17th Annual Symposium on the Analytical Chemistry
                   of Pollutants, "lay 18-20, 1987.

                   A literature survey for hydrolysis rates and cctanol/water partition coef-
                   ficients  is underway for compounds without measured values 1n the Apendix VIII
                   "third third" and for compounds under consideration 1n the concentration based
                   listing project.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   » 7686  SECOND REPORT ON HYDROLYSIS RATE CONSTANTS FOR LAND BANNING
                           DECISION RULE.
                           DUE: 05/30/87   REVISED: 01/01/00   COMPLETED: 05/30/87

                   * 7687  SECOND REPORT ON PARTITION COEFFICIENTS COR LAND BANNING
                           DECISION RULE.
                           DUE: 05/30/87   REVISED: 01/01/00   COMPLETED: 05/30/87

-------
PAGE:
        21
                                                                                                            DATE:   8/13/87*
                                                                                                   CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT ON FV'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                                        CODE

                   BUDGET SUB-ACTIVITY: D109
                                 ISSUE: C
                               PPA (L): 28
                  TITLE

                  HAZARDOUS WASTE-NONENERGY
                  WASTE CHARACTERIZATION
                  LAND DISPOSAL BANNING ASSESSMENT AND EVAL OF OTHER MGMT SYST
                                        28       LAND DISP BANNING
                                    'Rt: K        ERL ATHNS
                               PROJECT: 07       Environmental Process Character'zat 1on - Metals
                       PROJECT OFFICER: Arthur W. Garrison               PHONE: FTS-250-3U5
PPA (S):
     RC:
                                      PLANNED START: 10/01/84
                                                                  PLANNED END: 12/31/99
        22
                   PROJECT DESCRIPTION:


                   GOAL:  Provide data on fate and transport of toxic metals for    development of
                   exposure assessment models for Implementing tie Hazardous Waste Management
                   Amendments, Including evaluating waste management and treatmert needs basec on
                   potential human health and environmental Impacts..
                   RATIONALE:  Current activities Including RCRA Reauthor 1zatIon requirements
                   relative to Land Disposal Evaluation demonstrate the lack of consistent
                   exposure assessment methods and data for determining the health and
                   environmental  impact of various regulatory options.  Data on fate and transport
                   of toxic meta's are needed for Inclusion in models for exposure assessment.
                   APPROACH:  Thermodynamics and kinetics of sorption of metal cations,
                   metal-ligand complexes and other metal species on soils  sediments  and aquifer
                   substrates wi'l be  studied.  Specific sorbates will  include minerals,
                   organic-coated minerals  and dissolved humic materials.  Distribution
                   coefficients will be determined using plasma enlsslon spectroscopy;
                   Kinetic equat'ons and equilibrium constants w1"l be-determined and categorlzedse
                   for use 1n exposure and  risk models.

                   PROJECT STATUS AND  ACCOMPLISHMENTS TO DATE:


                   Work on the "accelerated metals plan" for OSW this quarter  included:
                   1) meeting with OSW and its contractor to plan collection of aquifer samples
                   necessary for rruch  of this accelerated work, 2) continued inhouse development
                   of concepts, models, and databases for improved sorption terms for the MINTED,
                   model for fate of metals in groundwater, 3) performance of  initial experiments
                   for estimation of distribution coefficients between  metals  and aquifer solids
                   and 4) assembly of  funding packages  for the various  extramural efforts supporte
                   by OSW through ERL-Athens.  Funds were added to a cooperative agreement between
                   ERL-Ada and Colorado School of Mines (CSM) for work  on redox measurements  in
                   aquifer systems; work has already begun.  CSM also has begun work to identify
                   organic complexatlon agents 1n leachates and determine their stability constant
                   with metals of Interest to OSW.  A 11 terature-cerived data  base of this informa

                                                 continued. . .
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                     THIRD QUARTER STATUS REPORT ON FY'B7 PROJECT DESCRITPIONS
                                      OFFICE OF  ENVIRONMENTAL  PROCESSES AND EFFECTS RESEARCH
                                                E?L ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS  TO  DATE:
                   tlon  1s  being  incorporated  into MINTEQ  by  ERL-Athens.  A database of  stability
                   constants  for  metal-hydrous oxide  Interactions was obtained  from Carnegie
                   Mellon University;  this  has also been adapted for use  in MINTE3 modeling.
                   Aquifer  samples  collected by  the OSW contractor will begin arriving at ERL-
                   Athens about mid-August.

                   In  in-house  research,  competitive  adsorption of 14 metals on 4  clay
                   minerals--montmor11lonite,  kaolinite, Illite, and vtrmicul1te--was completed.
                   Kaol1n1te  showed  negative adsorption at  pH 4 for all metals  except Cr.  Mont-
                   morlllonlte  and  Illite exhibited no preferential sorption of aiy divalent
                   transition metal  cation,  but  vermlculite exhibited some preferential  sorption.
                   For these  clays,  the order  of  sorption  onto a sodium-saturated  clay was M+3  >
                   M+2 > M+l.   Studies using the  same above systems anc calcium (40 ppm), cysteine
                   and a combination  of both as  desorbing  agents also were completed.

                   Two scientists  from the  People's Republic  of China are working  inhcuse
                   under a  PRC-US  agreement—one  on metal-humic Interactions and one on  metal-
                   sulflde  mineral  interactions.  They are  beginning tc produce results  that
                   contribute to  tie  goals  of  this project.

                   A reverse  osmosis  sampling  system  was developed, tested, and used on-site
                   by Georgia Institute of  Technology personne" to collect and  concentrate by
                   twenty-fold  200q  of dissolved  organics  in  Suwannee River (Olcefenokte  Swamp)
                   water.   Ninety-five percent recovery of  total dissolved organics was  obtained.
                   This  organic material  will  be  fractionated to provide  the necessary quantity
                   of fulvic  and  humic adds for  use  by Georgia Teci, University of Georgia, and
                   Inhouse  researchers studying  metal-organic interactions.

                   Work  continues  at  the  University of Georgia on use of  laser-excited
                   lanthanlde ion fluorescence for characterization of metal binding sites  in
                   humic materials.   Several experiments were completed to establish the precision
                   and accuracy of  the recently  Installed  spectrometer system.   These  Included
                   experimental measurement  of the emission spectra and lifetimes  of Eu(III).
                   Most  Importantly,  confirmation of  earlier  experimental results  on the binding
                   of Eu(III) by  lumic acid  was  attained.

                   Inhouse  work  Involving multie'ement analysis of groundwater/aquifer sample
                   for determination  of distribution  coefficients of metallic elenents between
                   ground-  water  and  aquifer solids was completed. This work has established a
                   unique background  of experience that will  be extremely useful  in the  next few
                   months when  aquifer samples from sites  throughout the  United States will be
                   shipped  to ERL-Athens  for determination  of metal-aquifer solid  distribution
                   coeffi-  dents  and  testing  of  the  MINTEQ predictive model.

                   SCHEDULE AND STATUS OF DELIVERABLES:

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PAGE:    23                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT 0^ FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987^


                   SCHEDULE AND S'ATUS OF DELIVERABLES:
RSGE
                   I 7350  ARTICLE ON THE KINETICS OF SORPTION AND DESORPTION OF
                           METALS IN SUBSURFACE ENVIRONMENTS
                           DUE: 07/31/89   REVISED: 01/01/00   COMPLETED: 01/01/00

                   « 7351  ARTICLE DESCRIBING KINETICS OF COMPLEXA'tON PHENOMENON
                           FOR METALS IN AQUEOUS SYSTEMS
                           DUE: 07/31/89   REVISED: 01/01/00   COMPLETED: 01/01/00

                   I 7691  REPORT ON DISTRIBUTION COEFFICIENTS OF METALS SORBED TO
                           AQUIFER SUBSTRATES. (K)
                           DUE: 01/30/87   REVISED: 01/01/00   COMPLETED: 01/30/87
                   * 7692  REPORT ON METAL BINDING TO HUMIC/FULVIC MATERIALS.
                           DUE: 08/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   * 7693  REPOR" ON LASER SPECTROMETRY APPLIED TO METAL-ORGANIC
                           SPECIATION IN WATER. (K)
                           DUE- 12/30/86   REVISED: 01/01/00   COMPLETED: 12/31/86
  GE:   24                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FV87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ESL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: D109     HAZARDOUS WASTE-NONENE.RGY
                                  ISSUE: C        WASTE CHARACTERIZATION
                               PPA  (L): 28       LAND DISPOSAL BANNING ASSESSMENT AND EVAL OF OTHER MGMT SYST

                               PPA  (S): 28       LAND DISP BANNING
                                    RC: K        ERL ATHNS
                               PROJECT: 17       Environmental Process Characterization  (Biological)
                       PROJECT OFFICER: John E. Rogers                   PHONE: FTS-250-3592
                                     ^^       03/01/85^ __ ^PLANNED^END:.  12/31/J9


                   PROJECT DESCRIPTION:
                   GOAL:  Provide  Integrated  (multimedia) methods and cata  for  imolemtnting the
                   Hazardous Waste Management Amendments  Including evaluating  waste management
                   and treatment needs based  on  potential hunan health and  environmental  impacts.
                   RATIONALE: Current regulatory activities  including RCRA  Reauthor1zstion
                   requirements relative  to Land Disposal Evaluation are demonstrating  the lac-: of
                   consistent methods and data for  determining the health and environmental imoact
                   of various regulatory  options.   Integrated  (multimedia)  methods  that
                   accommodate knowledge  of uncertainty are  needed for more accurate and
                   consistent decision-making on waste management ootlons.
                   APPROACH:  Mechanisms  of anaerobic blotransformations of xenoblotU  chemicals
                   will be characterized  using kinetic equations.  .aboratory studies will be
                   conducted to test these models and to  Identify eivironmental parameters that
                   Impact the rates and extent of the blotransformation processes.

                   PROJECT STATUS  AND ACCOMPLISHMENTS TO  DATE:
                   A manuscript,  "Microbial  Transformation Rates of High Concentrations of
                   Toxic Organic  Chemicals  in Natural Streams"  (Hwang, Hodson and Lewis)(7347B) wa
                   submitted  to Appl1ed_and  Environmental Microbiology.  Research on  the toxiclty
                   of  high  concentrations oT organic  subsTrates to microbial processs  is being
                   carried  out through  the  UGA Cooperative Agreement, Subproject 4.   This research
                   is  designed to evaluate  the validity of assuming no microbial degradation  in
                   toxic waste sites where  one or more chemicals exist at concentrations toxic to
                   general  microbial metabolic processes.

                   Dr. Rogers was asked  to  chair a  session entitled "Anaerobic Biodegradation
                   of  XenoblotU  Compounds"  at the  SETAC 8th Arnual Meeting  November 9-12.  1987,
                   Pensacola, FL.  He also  was asked  to chair a session on the biological treatmen
                   of  hazardous waste as part of the  Symposium  on Chemical and Biological Detoxi-
                   fication of Hazardous Waste at the American  Chemical Society Meetings, New
                   Orleans, LA, August  30-September 4, 1987.

                                                 continued. . .

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PAGE:    25                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:



                   The organic chemicals reported in Table C-5 on page 21675 of the Federal
                   Register Vol 51, No. 114, were evaluated for their relative b'odegradabl 1 ity in
                   subsurface environments.  The compounds were subsequently divded into three
                   groups as a result of the evaluation.  The three groups were: (1) compounds for
                   which laboratory data should be Immediately developed because their rates  of
                   degradation may be fast enough to significantly Impact the output of mathemati-
                   cal models used in regulatory processes; (2) compounds for which there 1s  t mar
                   ginal chance that laboratory data would impact regulatory processes, and (3)
                   compounds for which anaerobic degradation that should not be considered because
                   their degradat'on will be toe slow to have an effect.

                   Following up on our previous studies of the degradation of dichlorophenols
                   1n anaerobic sediments, we have taken a closer 'ook at the assay procedures tha
                   we have been using.   The extrapolation of laboratory data to the field is  nighl
                   dependent on knowing the relationship between the true envirormental rate  and
                   the rate of degradation determined 1n the laboratory.  In this regard we are
                   currently Investigating the effect of dilution of the sediment samples and the
                   effect of varying the sediment sample size while maintaining a constant secl-
                   ment-to-water ratio.  As the ratio of sediment to water was  increased from 1:5
                   to 1:100 a large increase was observed  in the lag period before degradation
                   could be detected.  Apparently the less dilute the sample, the more likely that
                   1t represents the environmental rate of degradation.  From a practical sense,
                   however, 1f corservatlve rates are needed as input for current regjlatory
                   models, the more dilute assays would be prefe-red.

                   We nave also initiated studies in the following three areas:

                   (1) We are currently examining the degradation cf a series of dlchlorinate
                   anilines 1n anaerobic sediments as a parallel study to the one currently being
                   conducted with dlchlorophenols.  We hope to determine whether we are dealing
                   with only a few organisms with broad substrate specifications for degrading
                   dlchlorophenols or a wide variety of organisms with very specific substrate
                   specificities.  We will also be looking at the difference between static and
                   shaken assays.

                   (2) We are extending the studies initiated by e. visiting Soviet scientist,
                   Dr. N. D. Ananyeva,  who was investigating the tdaptatlon period that generally
                   occurs 1n nattral waters and sediments before degradation can be detected  by
                   Investigating the degradation of phenol, p-cresol, a-naphthol and quinollne  1n
                   natural waters.  Results from these studies will be reported at the SETAC  treat-
                   ing this fall and at the American/Soviet Symposium -.0 be held 1n Iowa City this
                   October.

                   (3) As part of a cooperative agreement with the University of Georgia,

                                                 cont1nued . . .
PAGE:    26                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCMTPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   the temperature dependence of the degradation of xenobiotics in anaerobic
                   environments 1s being Investigated.  The dechlorlnat 1on of 2,4-dichlorophenol
                   1n sediments amended with 2000 ppm sulfate was recently observed.   Sulfate has
                   been reported to Inhibit this reaction In some  sediments.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   # 7690  INTERNAL REPORT ON EQUATION FOR PREDICTING ANAEROBIC TRANSFORMATIONS WITHIN
                           THE SATURATED ZONE
                           DUE: 07/31/89   REVISED: 11/30/89   COMPLETED: 01/01/00

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PAGE:    27                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT O'J FY'87 PROJECT DESCR1TPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987

CODE
BUDGET SUB-ACTIVITY: D109
ISSUE: C
PPA (L): 28
PROJECT

PPA (S): 28
RC • K
PROJECT! 21
OFFICER: Lee A.
PLANNED
TITLE
HAZARDOUS WASTE-NONENERGY
WASTE CHARACTERIZATION
LAND DISPOSAL BANNING ASSESSMENT AND EVAL OF OTHER
LAND DISP BANNING
ERL ATHNS
Multimedia Modeling with Uncerttlnty Analysis
Mulkey PHONE: FTS-250-3160
START: 09/01/85 PLANNED END: 12/31/99

MGMT SYST


                   PROJECT DESCRIPTION:


                   GOAL:  Provide multimedia methods complete with uncertainty analysis
                   capabilities for implementing the Hazardous Waste Management Amendments
                   including evaluating waiver petitions, listing procedures, and dellsting
                   petitions basec on human health and environmeitcl inpacts.
                   RATIONALE:  Current regulatory activities  Including RCRA Reauthorization
                   requirements relative to Land Disposal Evaluation are demonstrating the lack of
                   consistent methods and data for determining tie health and environmental impact
                   of various regulatory options.  Integrated (multimedia) methods that
                   accommodate knowledge of uncertainty are needed for more accurate and
                   consistent decision-making on waste management options.
                   APPROACH:  The decision rule model will be subjected to a series of tests with
                   various measurement errors assumed for the Inputs.  OSW staff will be consulted
                   on outcomes to evaluate impact of Input accuracies on resulting rule decisions
                   to define acceptable experimental accuracy.  The range of environmental
                   appropriate. Multimedia models capable of  simu'atlng both the engineerings and u
                   controls and post-closure performance will be developed for use in evaluating
                   banning waiver requests.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   The report describing the multimedia modeling for hazardous wastes,
                   "Multimedia Exposure Assessment Model for Evaluating Land Disposal of Hazardous
                   Wastes:  A Progress Report," (6015A) was completed.  The computer code was de-
                   livered and it  is currently undergoing testing and evaluation,  OSW was provide
                   a copy and their staff  is conducting sensitivity analysis.  A major question
                   under  investigation is  the role of the ursaturtted zone on downgradient ex-
                   posures.  In  its current form, the model includes vapor and leachate fluxes to
                   the atmosphere  and soil, fate in the unsaturated zone, fate 1n the saturated
                   zone,  and plume  Interception by surface water and subsequent water quality fate

                   The diffuse layer metal sorptlon model algorithm developed by David

                                                 continued...
        28                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'67 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Dzombok at MIT was  Incorporated  into the MINTEQA1 model code.  This sorptlon
                   model  1s expected to  improve our ability to mcdel metal-bearing le&chates from
                   lane disposal systems.

                   Two new projects were  Initiated  this quarter.  The first, Development of a
                   Site Specific Version  of the Multimedia Exposure Model, will consist of two
                   primary efforts:  integration of a numerical unsaturated/saturated code as an
                   option to the current  analytical scheme, and development/implementation of an
                   alternative scheme  for the monte carlo approach to incertainty analyses.  With
                   these  enhancements, the model will be capable of incorporating site-specific
                   spatial variability and be able  to efficiently perform uncertainty analysis.
                   The second  Development of a Coupled Metal Special ion-Transport Moael, will pro
                   duce a prototype model for simulating metals movement  1n  porous media.  A key
                   element of the approach is the use of MINTEQA1 to specify the minimum number of
                   reactions and t-\ermodynam1c constants required in ary given analyses so that
                   computational burdens  can be alleviated.

                   ERL-Athens and OSW  are performing a comprehensive set of  sensitivity
                   analyses with tie suite of exposure models used for  land  disposal regulation.
                   Impacts of anaerobic  degradation, alternative formulations for dispersivity, th
                   unsaturated zone depths, and hydrolysis rate constants are being evaluated for
                   44 chemicals.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   # 6015  Report on Organics Multi Media Human Exposure Model
                           DUE: 09/30/86   REVISED: 05/31/87   COMPLETED: 05/31/87

                   t 7352  PROJECT REPORT ON PERFORMANCE TESTS OF OSW I'ODELING
                           APPROACH USING FIELD DATA
                           DUE: 11/30/87   REVISED: 02/29/88   COMPLETED: 01/01/00

                   » 7353  REPORT ON EVALUATION OF LAND DISPOSAL SYSTECS, PROJECT
                           DESIGNS. AND ASSESSMENT OF THEIR FAILURE PROBABILITIES
                           DUE: 04/30/88   REVISED: 01/01/00   COMHETEO: 01/01/00

                   * 7684  PROJECT RPT. ON UNCERTAINTY ANALYSIS OF MULTIMEDIA (AIR  UNSATURATEO ZONE
                           GROUND WATER), TRANSIENT-FINITE SOURCE, LAND DISPOSAL M6DEL.
                           DUE: 09/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   » 7685  USERS MANUAL FOR MULTIMEDIA, TRANSIENT  LAND DISPOSAL MODEL
                           DUE: 02/28/88   REVISED: 01/01/00   COMPLETED: 01/01/00

                   « 7694  USER'S MANUAL FOR METAL SPECIATION MODE.ING - MINTEQ
                           DUE: 03/30/87   REVISED: 01/01/00   COMPLETED: 03/30/87

-------
PAGE:   29                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE
BUDGET SUB-ACTiVITY: D109
ISSUE: C
PPA (L): 28
PROJECT

PPA (S): 28
RC: K
PROJECT: 38
OFFICER: N. Lee
PLANNED
HAZARDOUS WASTE-NONENERGY
WASTE CHARACTERIZATION
LAND DISPOSAL BANNING ASSESSMENT AND EVAL OF OTHER MGMT SYST
LAND DISP BANNING
ERL ATHNS
Environmental Process Characterization
Wolfe PHONE: FTS-250
START: 10/01/84
PLANNED END:
12/31/90
- Orgarics
-3429

                   PROJECT DESCRIPTION:


                   GOAL:  Provide data on fate and transport of anthropogenic organic compounds
                   for development of exposure assessment models for Implementinc the Hazardous
                   Waste Management Amendments  Including evaluating waste management and
                   treatment needs based on potential human health and envlronmertal Impacts.
                   RATIONALE:  Current activities Including RCRA Reauthorization requirements
                   relative to Land Disposal Evaluation demonstrate the lack  of consistent
                   exposure assessment methods and data for determining the health and
                   environmental  Impacts of various regulatory oot'ons.  Data on fate and
                   transport of arthropogenic organic compounds are needed for Inclusion in models
                   for exposure assessment.
                   APPROACH:  Detailed laboratory kinetic studies will be conducted to describe
                   soil mediated  hydrolysis and abiotic redox transformation  reactions of
                   organics as a  function of pH and redox potential in the  sorbed and bulk
                   aqueous phase  cf soil-water systems.  Molecular and  system variables that
                                       govern redox and other processes will  be related and quantif
                    ed.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Nit'obenzene reduction  studies were extended ~.o soil-water sairples obtaine
                   from two aquifers.  The disappearance rate constant; are approximately five
                   times slower in the aquifer samples than  in sediment samples collected in the
                   Athens area.  Detailed  concentration studies of substituted nitrobenzenes
                   Indicated that the disappearance rate constants were dependent on  the  Initial
                   concentration of  the  nitrobenzene derivative.  Additional studies  are  in prog-
                   ress to determine the rate  limiting step  of the reduction process.

                   Redox studies were performed on two carbamate pesticides, Propham  and
                   Carbaryl, 1n an anaerobic sediment/water  system containing 10% solids.  Kinetic
                   results are being Interpreted; decay products of these two pesticides will be
                   analyzed.   In addition  to these redox studies, the hydrolysis of chlorinated

                                                 continued,..
        30                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                     THIRD  QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                      OFFICE OF ENVIRONMENTAL PROCESSES AND  EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS  TO DATE:
                   organic compounds  1s  currently  being  Investigated.

                   Studies of  the degradation  of synthetic  dyestuffs  in  anaerobic  sediments
                   continue.   The effects  of pH on  the distribution  and  kinetics of  reduction  were
                   studied for  a nonlonlzable  dye,  azobenzene,  ard an  'onizable dye. Congo Red.
                   Results Indicate  that pH will have  little  effect  on the  distribution  and  reduc-
                   tion  of azo  dyes  containing non-ionizable  functional  groups.  ror those dyes
                   that  do contain  ionizable groups  pH  will  play an  important role  in their
                   distribution and,  thus, transport 1n  natural  system:.  Changes  in pH,  however,
                   may have  little effect  on the rate  of reduction of  these dyes at  the  sediment-
                   water  surface.

                   Studies on  sorption  of  fonizable organic compounds  to  soils, sediments and
                   aquifer material  continue.  Experimental work confirms that partitioning  of
                   the anlon of peitachlo'ophenol  (pentachlorophenolate)  between octar.ol  and water
                   is highly dependent  on  ionic strength of the  i»ater  phase and that partitioning
                   of both the  ion-paired  phenolate and  free  phenolate species into  octanol  is
                   important.

                   A workshop  on tie  Environmental  Chemistry  of  Dyes,  crganized by the Athens
                   Laboratory,  has been  tentatively scheduled  for November  12-13,  1987,  in
                   Pensacola,  FL.  A  symposium entitled  "Environmental Chemistry of  Ionic
                   XenoblotUs," also organized by  the Athens  Laboratory, will be  held at the  SETA
                   conference.

                   SCHEDULE AND STATUS  OF  DELIVERABLES:
                   #  7349  ARTICLE ON  THE  ROLE OF  SOIL  IN MEDIATING  THE  HYDROLYSIS
                           OF ORGANIC  COMPOUNDS
                           DUE:  09/30/88   REVISED:  01/31/89    COMPLETED:  01/01/00

                   *  7688  JOURNAL ARTICLE ON ABIOTIC REDOX REACTIONS  IN  SEDIMENT-SOIL
                           SYSTEMS.  (K)
                           DUE:  10/30/86   REVISED:  01/01/00    COMPLETED:  10/30/86

                   #  7689  REPORT DESCRIBING THE KINETICS OF  REDOX REACTIONS  IN  SOIL-WATER
                           ENVIRONMENTS.
                           DUE:  12/30/88   REVISED:  04/30/89    COMPLETED:  01/01/00

-------
PAGE:   31                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT 0*J FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: D109     HAZARDOUS WASTE-NONENERGY
                                 ISSUE: D        DIOXIN
                               PPA (L): 54       MOVEMENT AND PERSISTENCE OF DIOXINS IN SOILS AND GROUNDWATER

                               PPA (S): 54       DIOXIN TRANSPORT
                                    RC: K        ERL ATHNS
                               PROJECT: 35       Photodegradation of D1ox1n 1n Soils
                       PROJECT OFFICER: Richard G. Zepp                  PH2N^: FT$-250-3428

                                      PLANNED START: 10/01/85     PLANNED END: 12/31/99


                   PROJECT DESCRIPTION:
                   GOAL:  Provide OSWER with techniques and necessary data to predict the rate and
                   extent of movement and transformations of 2,3,7,8-tetrachlorod 1benzo-p-dioxln
                   in soils and 1n ground waters.
                   RATIONALE: These data are necessary to assess the potential for human exposure
                   to dioxin and to make rational decisions regarding the removal and disposal of
                   dioxln-contaminated soils.  These data will also aid in the development of
                   technologies to desorb dioxin from soils and to detoxify dloxins in
                   contaminated soils.
                   APPROACH:  Studies will be conducted to determine equations and rate constants
                   that describe the photolysis of dioxins on  soils.  The studies will examine
                   direct photolysis as well as  indirect photoprocesses involving light-generated
                   oxidizing species on soil surfaces.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Research cont'nues at the University of Nevada-Reno on photolysis and
                   other environmental reactions of various dioxins on soil and other surfaces.
                   Efforts 1n the past 3 months have centered on validation of previous findings o
                   2,3 7,8-TCDD formation from contaminated octachlorod ibenzod 1oxin (OCDD) soils i
                   sunlight.  So'ls from contaminated sites 1n Oregon .ire presently being irradi-
                   ated both 1n the laboratory and under environmental conditions.  These irradi-
                   ated samples will be sent to Cal-Enseco Labs -"or complete  isomer analysis at th
                   end of the exposure periods.  A study also 1s being conducted  in the laboratory
                   on two OCDD-fortified, air-dried agricultural soils to determine the depth
                   dependence of photolysis.

                   Recent results from irradiating 2.3,7,8-TCDD -ortified soils witn hydrogen
                   donating solvents support previous studies that oil additives  increase the rate
                   of photolysis.   Future studies will determine whether this  is  a result of
                   transport or photochemistry.

                   SCHEDULE AND STATUS OF DELIVERABLES:
        32                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   SCHEDULE AND STATUS OF DELIVERABLES:
                   # 7355  REPORT ON PHOTODEGRADATION EVALUATION OF DIOXIN (2,3 7 8-TCDD) IN
                           SOILS
                           DUE: 06/30/88   REVISED: 09/30/88   COMPLETED: 01/01/03

-------
PAGE:
        33
                                                                                 DATE:

                                                                        CLIENT  OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT 0V FV87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC~S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                                        CODE

                   BUDGET SUB-ACTIVITY: E104
                                 ISSUE: D
                               PPA (L): 07
                               PPA (S):
                                    RC:
                               PROJECT:
             07
             K
             24
                       PROJECT OFFICER: Robert F. Carsel

                                      PLANNED START: 04/01/81
TITLE

PESTICIDES NCNENERGY
ECOLOGY: TRAKSPORT/FATE/FIELD VALIDATION
GROUNDWATER: PEST. CONTAMINATION AND PROCESS STUDIES

PEST. GROUNOWTR RES.
ERL ATHNS
Validation of Predictive Techniques for Environ.  Exposure
                        PHONE:  FTS-250-3138
                                                                  PLANNED END:  03/31/89
        34
                   PROJECT DESCRIPTION:


                   GOAL:  Refine, parameterize and evaluate via field and other studies the
                   capability of single and multimedia pesticide exposure models that predict the
                   multimedia and intermedia transport and fate o~ pesticides,  especially through
                   soils (including an evaluation of their leaching potential), sediments, anc
                   other porous neqia to ground and surface waters.
                   RATIONALE:  Optimum pesticide regulation requires field-evaluated assessment
                   techniques to assure that scientifically defensible decisions are made using
                   cost-effective data specifications and assessment methods.
                   APPROACH:  As single and multimedia pesticide exposjre assessment packages are
                   developed or assembled from SOA components on application/drift, ranoff
                   leaching  surface stream  river and lake models, etc., and become operational,
                   they will be systematically evaluated via application to "real world" OPP and
                   state problems and/or by retrospective comparison studies.  Limited special
                   field studies will also be initiated in concept with OPP, states, Regions,
                   packages or specific components.  Current emphasis is on the Dougherty Plaineith
                   leaching study.  Quality assurance activities will oe conducted by Athens ERL.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Two pesticides, aldicarb and metolachlor, were successfully applied at the
                   Dougherty Plain field site at time of planting for 1987 crop season.  Applica-
                   tion rates were monitored by both soil and filter disks.  Samples were collecte
                   to evaluate composite sampling designs versus random sampling.   In addition
                   post-application soil samples were collected to assess field degradation rates.

                   Three prototype multi-level monitoring wells were designed and fabricated.

                   The Interagency agreement with the U.S. Geological Survey was approved and
                   executed.  This agreement provides for the concuct of experiments on the
                   Dougherty Plain field site for the 1987 growing season and for the  installation
                   of additional monitoring well networks for nonUortng bromide tracer movement.

                                                 continued,..
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON FY'»7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   On-the-job-training of newly hired personnel, cross-training of senior
                    Bersonnel, and general preparations for the up-coming sampling season at the
                    ougherty Plain field site is in progress.  Reorganization of existing space
                   and equipment, required as a result of the shift 1n methylene chloride opera-
                   tions, 1s near completion.

                   Soil profile characterization for the site down to ?0 feet is TOW complete
                   Measured data of soil properties for 10 of the 20 primary sites 'nclude hy-
                   draulic conductivity, water retention curves, particle size distribution,  and
                   bulk density.

                   SCHEDULE AND STATUS OF DEL1VERABLES:
                   * 6909



                   # 6912



                   f 7593


                   » 7660


                   * 7661



                   * 7662



                   * 7664
Report on spatial variability of soil release characte-istics (Dougierty
Plain Site) for use in PR2M (f"  '
DUE: 12/31/86   REVISED:  " "
      (testing)
      31/87   CO
JOURNAL ARTICLE ON RESULTS
COASTAL PLAIN SOILS
DUE: 03/31/87   REVISED: 12/31/87
   03/31/87   COMPLETED: 03/31/87

     OF FIELD TESTING OF PRZM LEACHIKG MODEL

              COMP.ETED: 01/01/00
                                                                   FOR
DOUGHERTY PLAIN ANNUAL REPORT.  (K)
DUE: 09/30/87   REVISED:  01/01/00

DOUGHERTY PLAIN ANNUAL REPORT.  (K)
DUE: 09/30/88   REVISED:  01/01/00
              COMP.ETED: 01/01/00


              COMPLETED: 01/01/00

                           GROUND WATER THREAT
FINAL DOUGHERTY PLAIN REPORT INCLUDING PESTICIDE
ASSESSMENT METHODOLOGY TEST RESULTS. (K)
DUE: 09/30/89   REVISED:  01/01/00   COMPLETED:  01/01/00

Internal Report Deep Soil Profile and Unconfined Aquifer Characteristics
for Major Eastern Agricultural  Regions-Crops
DUE: 09/30/88   REVISED:  01/01/00   COMPLETED:  01/01/00
                           GROUNDWATER PESTICIDES ASSESSMENT MANUAL FOR OPP. STATES, COUNTY
                           EXTENSION PROFESSIONALS. (K)
                           DUE: 06/30/89   REVISED: 01/01/00   COMPLETED: 01/01/00

-------
PAGE:    35                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY:  E104     PESTICIDES NCNENERGY
                                 ISSUE:  D        ECOLOGY:  TRAI\SPORT/FATE/F IELD VALIDATION
                               PPA (L):  08       PREDICTIVE TECHNIQUES FOR ENVIRONMENTAL EXPOSURE

                               PPA (S):  08       DEVELOP PRED.  TECH.
                                    RC:  K        ERL ATHNS
                               PROJECT:  25       Predictive Techniques for Environmental Exposure
                       PROJECT OFFICER:  Lee A. Mulkey                    PHONE: FTS-250-3160
                                      PLANNED START:  10/01/81     PLANNED END:  12/31/99


                   PROJECT DESCRIPTION:
                   GOAL:  Provide long term, short turnaround  or direct single or multimedia
                   exposure assessment technology assistance to OPP.
                   RATIONAL:   OPP occasionally needs quick turnaround, customized model
                   development anc application assistance for high priority regulatory actions
                   mandated under FIFRA,  This effort provides a -"ocused. coordirated body of
                   expertise comprised of ORD and OPP agency personnel augmented by e
-------
PAGE:    37
                                                                                                    DATE:

                                                                                           CLIENT OFFICE:
                                                                                                           8/13/87
                            THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITP10NS
                             OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                       ERL ATHNS:  APRIL - JUNE 1987
                   BUDGET SUB-ACTIVITY:
                                 ISSUE:
                               PPA (L):
                               PPA
                       PROJECT:
                                   (S):
                                    RC:
                                CODE     TITLE

                                E104     PESTICIDES NCNENERGY
                                I        ECOLOGY:  ECOTOXICITY AND RISK ASSESSMENT
                                13       DEVELOPMENT CF INTEGRATED RIS.< ASSESSMENT MODELS

                                13       INTEGRATED RISK ASS.
                                K        ERL ATHNS
                                26       Risk Assessment Methods for FIFRA
               PROJECT OFFICER:  Lee A.  Mulkey                    PHONE:  FTS-250-3160

                              PLANNED START:  10/01/85     PLANNED END:  12/31/99
           PROJECT DESCRIPTION:


           GOAL:   Develop, refine and extend existing terrestrial and aquatic fate,
           transport and effects models to include hazard 'mpact, subroutines and data for
           environmental risk assessments (RA) for the labeled use of pesticides.  Results
           must be expressed in  terms of probability of impact and frequency of occurrence
           and duration.
           RATIONALE:  Proven,  operational environmental RA models are needed to evaluate
           registration requests for new pesticides and for re-registration and label
           changes (e.g, new uses) of existing compounds under FIFRA.
           APPROACH:  Existing  unsaturated/saturated zone soil transport models, proven
           runoff-surface water  pesticide codes,  appropriate ground water codes and
           related air transport models will be combined to produce SOA exposure
           assessment model framework.   These will then be linked with available effects
           models to produce defensible RA methodologies for 03P.  As completed, the risk
           assessment packages  will be  tested and evaluated, especially 1n terms of
           coordination will be  required with CERL, RSKERL, ASRL-RTP and the aquatic fate p
           research at AERL .

           PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
           A new project was initiated to provide a "leve" 1" screening rrodel for
           terrestrial exposure using analytical solutions to A set of coupled differentia
           equations for pesticide fate and terrestrial -ood chain dynamics.   This product
           to be includec as an option in the prototype terrestrial exposure  model, will b
           completed in April 1988.  It will be demonstrated 1n a planned December worksho
           for OPP.

           The decision was made to develop a "place-holder" model for plant  uptake i
           the Terrestrial Environmental  Exposure Assessnent Model (TEEAM) until ERL-
           Corvallis can complete the comprehensive model.  A set of program  specification
           and coding corventlons was forwarded to the Corvallis Lab for consideration.

           SCHEDULE AND STATUS OF DELIVERABLES:
38
                                                                                                    DATE:  8/13/87

                                                                                           CLIENT OFFICE:
                            THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCRITPIONS
                             OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                       ESL ATHNS:  APRIL - JUNE 1987
           SCHEDULE AND STATUS OF DELIVERABLES :
           f 7501   Initial Design and Specifications of Computerized Terrestrial
                    Exposure Model
                   DUE: 09/30/87   REVISED: 01/01/00   CCMPLETE.D: 01/01/00

           # 7502  SOILS AND METEOROLOGICAL DATABASES FOR TERRESTRIAL EXPOSURE MODELS
                   DUE: 09/30/87   REVISED: 04/30/88   COMPLETED: 01/01/00

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PAGE:   39                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987^

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: L104     TOXIC CHEMICAL TESTING & ASSESSMENT NONENERGV
                                 ISSUE- D        ECOLOGY: TRAKSPORT/FATE/FIELD VALIDATION
                               PPA (I): 09       DEVELOPMENT CF VALIDATED EXPOSURE ASSESSMENT METHODOLOGIES

                               PPA (S): 09       EXPOSURE ASSESSMENT
                                    Rt: K        ERL ATHNS
                               PROJECT: 27       Development of Validated Exposure Assessment Methodologies
                       PROJECT OFFICER: Robert B. Ambrose                PHONE: FTS-250-3546
                                      PLANNED START:. 10/01/79     PLANNED^END •  12/31/99


                   PROJECT DESCRIPTION:
                   GOAL:  Develop, parameterize and evaluate a first-generation metals modeling
                   system and continue development and modification of multimedia models for
                   non-human exposures.
                   RATIONALE:  OS wants to upgrade Us metals aid organics multimedia modeling
                   capability for PMN activities and comprehensive risk/benefit analyses on the
                   Impacts of regulating existing chemicals/species and to accourt for potential
                   toxic effects at the organism and systems levels giver various toxics loading
                   combinations  into surface waters and other environmental compartments.
                   APPROACH:  Thermodynamic metals species and chemical reaction models will be
                   combined with partitioning and bloaccumulat1on (Including plants) models to
                   reduce a process-based aquatic distribution package for metal species.  This,
                   in turn, will be Interfaced with user-friendly software and steady-state
                   transport codes to produce MEXAMS, a first generation metals exposure
                   assessment model.  Also, additional refinements in  transport codes
                   Incorporated  'nto multimedia models to produce more reliable exposuretlcs of pol
                   assessment packages for organics of interest under  TSCA and RCRA.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   A competitive cooperative agreement procurement process was  initiated for
                   the development of a general fine sediment transport model.  Four preproposals
                   were selected for solicitation as full proposals.

                   A new project with the University of Georgia Computer Science Department
                   was initiated to  Implement  changes  in the numerical solution procedures within
                   MINTEQA1 and prepare detailed documentation for selected subroutines.

                   A manuscript entitled "Simulation Models for Waste Load Allocation of
                   Toxic Chemicals - A State of the Art Review," was submitted  to the Water
                   Pollution Control Federation for review and publ ica-.ion.   The paper  Includes
                   procedures for both organic and metal pollutants.

                                                 continued...
        40                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                           ,»m ATHNS: APRH- JUNE 1987^


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   A paper entitled  "Environmental Photoprocesses  Involving Natural Organic
                   Matter" (7672A) was  submitted as a chapter  in Humic_Substances_and_Jheir_Role
                   1n_the_Environment.

                   A handbook entitled  "Processes, Coefficients, and Models for Simulating
                   Toxic Organics and Heavy Metals in Surface Waters"  (6949A) was completed for
                   publication  (EPA/600/3-87/015).

                   The manuscript entitled "Effects of Structurally Related Compounds on the
                   Transformation of  Xenobiotic Compounds  1n Natural Waters " (7670A) has been
                   submitted for publication  in Appl 1ed_and_Enviromiental Microbiology.  This
                   paper covers the  Investigation of the trans-'ormat ion oT  Individual xenoblotic
                   compounds added singly or  as components of mixtures composed of  stiucturally
                   related compounds  in natural waters.  The rate  of transformation of some com-
                   pounds was altered in the  presence of Increasing corcentrations  of structurally
                   related compounds.

                   SCHEDULE AND STATUS  OF DELIVERABLES:
                   # 6949  Project report on  rates, constants, and  
-------
PAGE:   41
PAGE:   42
         DATE:   8/13/87

CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT O'J FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

BUDGET SUB-
PROJECT

CODE
ACTIVITY: L104
ISSUE: D
PPA (L): 10
TITLE
TOXIC CHEMICAL TESTING & ASSESSMENT NONENERG"
ECOLOGY: TRANSPORT/FATE/FIELD VALIDATION
TRANSPORT ANC FATE PROCESS DETERMINATION
PPA (S); 10 TRANSPORT AND FATE
Rt: K ERL ATHNS
PROJECT: 09 Process Characte'izat ion for Toxics (Chemica")
OFFICER: Richard G. Zepp PHONE: FTS-250-3428
PLANNED
START: 10/01/79 PLANNED END: 09/30/88
                   PROJECT DESCRIPTION:


                   GOAL:  Characterize key chemical processes:d1rect-indirect photolysis
                   hydrolysis, recox reactions, and sorption/desorption and provide additional
                   scientific understanding of sediment-water exchange to Improve exposure anc
                   risk assessment models.
                   RATIONALE:  The roles of inorganics in pollutant transformation by photolysis
                   and the kinetics of redox reactions are inadequately understood for reliable
                   use in exposure assessment models at the present tine.   These processes are
                   known to be environmentally important in many cases.
                   APPROACH:   Laboratory studies with natural waters, with sediments and with
                   reference materials will be used as the basis for acceptance or rejection cf
                   proposed equations for the kinetics of transformation and equilibria of
                   transformation processes.  The  laboratory studies will provide rates of
                   equilibrium constants based on  the models.  Confounds and reaction conditions
                   will be selected to permit generalizations about changes in molecular structure
                   naturally occurring  inorganic  species: redox reactions of abiotic systems,ill e
                   relative to  biotlc systems, will be studied.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   The  interactions of photochemically produced  Ircn(II) with hydrogen
                   peroxide and resulting organic Oxidations were studied during the quarter.
                   Using anlsole and nitrobenzene as chemical probes and octanol or formate  ion as
                   scavengers, we found that the yield of hydroxyl radicals from Fe(II)/hydrogen
                   peroxide was found to be 40% at pH 6.2.  A promising technique was developed
                   for  the direct simultaneous analysis of Fe(IIlJ and Fe(II) in natural waters.
                   Dr.  Richard Zepp 1s stationed for the summer at the EAWAG Laboratory 1n
                   Switzerland, studying photochemical processes with Swiss scientists.

                   Nitrobenzene reduction studies were extended to soil-water samples obtalne
                   from two aquifers.   The disappearance rate constants were approximately five
                   five times slower 1n the aquifer samples than 1n seitiment samples collected  1n

                                                 continued...
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCKITP10NS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   the Athens area.  Detailed concentration studies of substituted nitrobenzene^
                   Indicated that the disappearance rate constants were dependent on the  initial
                   concentration of the nitrobenzene derivative.  Additional studies are  1n prog-
                   ress to determine the rate limiting step of tre reduction process.

                   Redox studies were performed on two carbama'.e pesticides, Propham and
                   Carbaryl, in an anaerobic sediment/water system containing 10% sol'.ds.  Kinetic
                   results are being interpreted; decay products of these two pesticides will be
                   analyzed.  In addition to these redox studies, the hydrolysis of chlorinated
                   organic compounds 1s currently being investigated.

                   Studies of the degradation of synthetic dyestuffs  in anaerobic sediments
                   continue.  The effects of pH on the distribution anc kinetics of reduction were
                   studied for a nonionizable dye, azobenzene, and an ionizable dye  Congo Red
                   Results Indicate that pH will have little effect on the distribution and reduc-
                   tion of azo dyes containing non-1on1zable functional groups.  For those dyes
                   that do contain ionizable groups  pH will play, an  important role 1r. their
                   distribution and, thus, transport 1n natural systems.  Changes in pH, however,
                   may have little effect on the rate of reduction of these dyes at the sediment-
                   water surface.

                   Studies on sorption of ionizable organic compounds to soils  sediments and
                   aquifer material continue.  Experimental work confirms that partitioning of the
                   anion of pentachlorophenol (pentachlorophenolate)  between octanol and water is
                   highly dependent on ionic strength of the water ohase and that partitioning
                   of both the Ion-paired phenolate and free phenolate species in-.o octanol is
                   Important.

                   A workshop entitled "Oxidation-Reduction Processes in Sediment/Water/
                   Aquifer Systems" was sponsored by ERL-Athens at Estes Park  CO  April 28-30
                   1987.  A workshop on the Environmental Chem'stry of Dyes, organized by the
                   Athens Laboratory, has been tentatively scheduled  for November 12-13  1987,
                   in Pensacola,  rL.  A symposium entitled "Environmental Chemistry of Ionic
                   Xenobiot1cs,"  also organized by the Athens Laboratory, will be held at the
                   SETAC conference in November.

                   A Journal article entitled "Effects of Humlc Substances on Analylsis for
                   Hydrogen Peroxide using Peroxidase-Catalyzec Oxidations of Triarylmethanes or
                   p-Hydroxyphenylacetic Acid" (7683A) was delivered  to OTS and submitted to
                   Environ. Technol. Letters.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   * 7683
                           JOURNAL ARTICLE ON OXIDATION PROCESSES IN AQUATIC ENVIRONMENTS. (K)
                           DUE: 06/30/87   REVISED: 01/01/00   COMPLETED: 06/30/87

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PAGE:    43
                                                           DATE:   8/13/87

                                                  CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT 0^ FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                                        CODE

                   BUDGET SUB-ACTIVITY: L104
                                 ISSUE: D
                               PPA (L): 10

                               PPA (S): 10
                                    RC: K
                               PROJECT: 37
                       PROJECT OFFICER: William C  Steen

                                      PLANNED START:  10/01/85
TITLE

TOXIC CHEMICAL TESTING & ASSESSMENT NONENERG"
ECOLOGY- TRANSPORT/FATE/FIELD VALIDATION
TRANSPORT ANC FATE PROCESS DETERMINATION

TRANSPORT AND FATE
ERL ATHNS
M1crob1al Transformation Rate Constants
                        PHONE:  FTS-250-3776

                 PLANNED END:  12/31/99
PAGE:   44
                   PROJECT DESCRIPTION:


                   GOAL:  Develop and apply decision-tree protocols for measuring microbial
                   transformation rate constants for use in exposure and risk assessment models.
                   RATIONALE:  Scientifically valid and accurate transformation rate constant: are
                   required as Inputs to mathematical models and other decision tools to assess
                   risk assodateicals.  Risk asnts are necessary 'n PIN
                   and retrospective evaluations of toxic chemicals in the environment.
                   APPROACH:  Laboratory studies will be conducted to define the critical
                   variables and adapt or devise effective techniques for measuring microbial
                   transformation rate constants.  Decision-tree protocols  will be developed and
                   tested to delineate the steps and options to be exercised in such measurements.
                   Protocols wil" be applied to selected toxic chemicals of critical interest.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Following investigations with the seven chemicals reported during the last
                   quarter  several areas surfaced warranting further study.  The first activity
                   was to invest'gate differences observed in secord-order rate constants
                   with microorganisms from the oxidation pond and from Hickory Hill aquatic
                   systems.   As a result of the approximate 3 orders of magnltuoe difference 1n
                   calculated constants for the 4-dimethyl amino prenethyl alcohol  in the oxidatio
                   pond versus Hickory Hill pond, i.e.  (2.14 + or - 1.73)E-11 and (1.96 + or -
                   1.67JE-8 L per org. per hour  respectively, all seven chemicals ars being reln-
                   vestigated in the Hickory Hill pond water.  To obtain measurable rates of trans
                   formation, 1t has been necessary to concentrate organisms from tne Hickory Hill
                   pond followed by resuspension to increase the 'nltlal population densities such
                   that slowly degraded chemicals such as Alachlor, Propachlor, and Pronamide coul
                   be measured in the Hickory H111 site.  Samples of Hickory Hill pond (approx.
                   20 L) were transported to the laboratory for filtra-.ion (milHpore) in order to
                   concentrate bacterial populations (10:1).  Resulting filters were resuspended
                   in appropriate volumes of pond water and shaken on -he gyratory sh.iker for 4
                   hours.  Following division of the bulk sample to reaction flasks, Alachlor w
                                             48
                                              as
                                                 continued. . .
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               EU ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   spiked to desired concentrations.  Initial plate counts of bacteric.1 denslsties
                   Indicated the concentration steps had been successful.  Bacteria" densities
                   were proportionately one order of magnitude higher, as was expected.

                   Although first attempts to concentrate were successful, Alachlor trans-
                   formation appeared substantially slower than anticipated.  The experimental
                   investigation was reestablished for both Alacrlor and Monalide.  Alachlor
                   results are being analyzed and appear to exhibit a preliminary rate constant
                   of approximately E-13 L. per org. per hour.  Monalide experiments have just been
                   initiated at time of reporting.  Two more experiments measuring temporal varia-
                   tion of the methyl esters of 2 4-d1chloropnenoxyacet1c acid rate constant were
                   completed.  Results are consistent with the other 2,4-DME studies.

                   Good correlation was found to support the theory that the same
                   structural features are responsible for infrared spectra and rates of compound
                   degradation.  Results correlating spectral data with both hydrolysis and
                   biolysis rate constants for phthaltate esters are being prepared as a journal
                   article.  A related study on biolysis of secondary amides has begur.

                   Dr. Tim Collette presented a poster session entitled "Correlation cf
                   Infrared Spectroscopic Data with Degradation Rate Constants" a-, the 17th Annual
                   Symposium on the Analytical Chemistry of ?o'lutaits," May 18-20  at Jekyll
                   Island, GA.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   # 6930   Interim Protocol for Measuring Microbial Transformation Rate Constants
                            for Suspended Populations
                           DUE: 11/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   » 7282  REPORT ON MICROBIAL TRANSFORMATION RATE CONSTANTS
                           FOR SUSPENDED POPULATIONS
                           DUE: 03/30/87   REVISED: 12/31/87   COMPLETED: 01/01/00

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PAGE:   45                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87.PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: L104     TOXIC CHEMICAL TESTING & ASSESSMENT NONENERG"
                                 ISSUE: 0        ECOLOGY: TRANSPORT/FATE/FIELD VALIDATION
                               PPA  (L): 11       EVALUATION OF EXPOSURE ASSESSMENT METHODS

                               PPA  (S): 11       MICROCOSM/FIELD
                                    RC: K        ERL ATHNS
                               PROJECT: 05       Protocols -for Chenical Transformation Rate Constants
                       PROJECT OFFICER: Jackson Ellington                PHONE: FTS-250-3197
nreE:
                                      PLANNED START: 10/01/83     PLANNED END: 12/31/99


                   PROJECT DESCRIPTION:
                   GOAL:  Develop and apply decision-tree protocols for measuring chemical
                   transformation rate constants and partition coefficients for use in exposure
                   and risk assessment models.
                   RATIONALE:  Scientifically valid and accurate transformation rate constants and
                   partition coefficients are required as inputs to mathematleal models and other
                   decision tools to assess risk  associated witi toxic chemicals.  Risk
                   assessments are necessary  in PMN and retrospect've evaluations of toxic
                   chemicals in the environment.
                   APPROACH:  Laboratory studies will be conducted to define the critical
                   variables and adapt or devise effective techniques for measuring chemical
                   transformation rate constants and partition cooeff 1cients.   Decisian-tree
                   protocols w1l" be developed and tested to delineate  the steps and options to be
                   exercised in such measurements.  Protocols will be applied to standard
                   reference compounds for evaluation of accuracy and precision and to selected
                                       toxic  chemicals critical  interest.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   The Coordinated List of Chemicals, which  Identifies chemicals being reg-
                   ulated or studied by EPA, has been stored  in a computerized database.  The EPA/
                   ATSDR Rank Superfund Hazardous Substances  List has been added to the database
                   collection of  lists.  This list  1s a joint act "'on by EPA and the Agency for
                   Toxic Substances and Disease Registry  (ATSDR) ind Identifies the 100 most com-
                   monly found hazardous substances at Superfund sites.  The substances are ranked
                   within the 11st, according to the degree  to wh'ch e.ich poses a potential human
                   health risk.   Participation  in the Coordinated List of Chemicals p.-oject has
                   been solidtec from all ORD  laboratories  (with five positive resoonses received
                   to date).  The information retrievable from the database will reveal who is
                   studying what  in ORD and stimulate communication among researchers  facilitate
                   selection of chemicals for study (since practically all chemicals  listed are of
                   interest to the Agency), and permit Program Offices to obtain information on

                                                 continued. . .
        46                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   chemicals right when they become available and not months or years  later when
                   data are published.

                   William Donaldson presented a paper entitled "ConsUnts for Predicting the
                   Fate of Chemicals 1n the Ambient Environment" at the 17th Annual Symposium on
                   the Analytical Chemistry of Pollutants, May  18-20, c,t Jekyll Island, Georgia.

                   The evaluation criteria for the database of  physical, chemical  anc. micro-
                   blal rate and equilibrium constants have been reviewed by ERL-Athens scientists
                   The criteria, which will be used to evaluate the reliability (quality) of liter
                   ature data, have been compiled  into a document that will be suom'.tted for
                   publication.  Evaluation criteria were developed for 12 parameters.

                   SCHEDULE AND STATUS OF DELIVERABLES:


                   # 7710  Interim Protocol for Measurement of  Hydrolysis Rate Constarts
                           DUE: 03/31/88   REVISED: 01/01/00    COMPLETED: 01/01/00

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PAGE:    47                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OS FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL^- JUNE 1987^

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY; U04     TOXIC CHEMICAL TESTING & ASSESSMENT NONENERG"
                                 ISSUE- D        ECOLOGY:  TRAKSPORT/FATE/FIELD VALIDATION
                               PPA (L): 11       EVALUATION OF EXPOSURE ASSESSMENT METHODS

                               PPA (S): 11       MICROCOSM/FIELD
                                    RC: K        ERL ATHNS
                               PROJECT; 16       Evaluation of Exposure Assessment Methods
                       PROJECT OFFICER: Harvey W. Holm                   PHONE: FTS-250-3103
                                     ^PLANNED^START:; 10/01/79    ^PLANNED^END:  09/30/88^


                   PROJECT DESCRIPTION:
                   GOAL:  Develop and apply laboratory and field systems for testing transport and
                   transformation subroutines, exposure modeling systetis, and risk analysis
                   systems.
                   RATIONALE:  Methodolocies for predicting and/or assessing ecological hazarc
                   have not  been adequately tested In complex microcosn and field studies.
                   APPROACH:  The use of controlled laboratory ecosystems to evaluate exposure
                   modeling  systems and risk analysis systems increases the probability of
                   attributing a testing mismatch to the appropriate subroutine.  To evaluate
                   general applicability  microcosm results are compared with field data.   Field
                   and laboratory ecosystems having different physical, chemical, and biological
                   makeup are developed and used for testing mathematical methods for determining
                   eco-structure. evaluating ecological hypotheses and modeling assumptions used
                   for developing generalized predictive models, and testing exposure assessment
                   and risk  assessment models.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   A manuscript (7618A), "Biogeochemlcal Cycling of Organic Matter in Acidic
                   Environments: Are Microbial Degradative Processes Adapted to Low pH?" (Benner,
                   Lewis, Hodson; has been cleared for publication  in a CRC series, "Microbial
                   Interactions in Acid Stressed Aquatic Ecosystems" (S.S. Rao, ed.).

                   A computer mocel for EXAMS has been written thtt incorporates research
                   concerning predicting attached microblal transformation rates and their relativ
                   contributions to suspended organisms.  Or. Holm  is field testing the model whil
                   on a sabbatical at Montana State University during the summer of 1987.

                   The journal article  "Effects of hardness, alkalini-.v, and pH on the toxic
                   ity of pentacHorophenol to Selenastrum_capriccrnutum, Printz," has been modi-
                   fied in resporse to reviewer comments and accepted for publication by
                   Env1ronmental_Tox1cology_and_Chem1stry (Smith. Brockway, Standl) (7284C).

                                                 continued...
PAGE:   48                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:



                   Work has begun on systems 1n which to expose fish to continuously flowing,
                   constant concentrations of toxicants to study chemical activity In the blood of
                   fish at time of death.

                   SCHEDULE AND STATUS OF OELIVERABLES:
                   * 7618  JOUR. ART. ON ENVIRONMENTAL FACTORS AFFECTING MICROBIA. TRANSFORMATION
                           RATES Or POLLUTANTS. (K)
                           DUE: 08/30/87   REVISED: 01/01/00   COMPLETED: 04/30/87

-------
PAGE:    49
PAGE:
        50
                                                                                                            DATE:

                                                                                                   CLIENT OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT 01 FY'87 PROJECT OESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL- JUNE 1987

BUDGET
CODE
SUB-ACTIVITY: L104
ISSUE: G
PPA (L): 20
PPA (S): 20
RC: K
PROJECT: 10
PROJECT OFFICER: Samuel

PLANNED
TITLE
TOXIC CHEMICAL TESTING & ASSESSMENT NONENERGV
STRUCTURE ACTIVITY RELATIONSHIPS
STRUCTURE ACTIVTr RELATIONSHIPS AND ESTIMATION
SAR/EST TECHNIQUES
ERL ATHNS
Predictive Methods for Environmental Exposure Assessments
W. Karickhoff PHONE: FTS-250-3149
START: 10/01/80 PLANNED END: 09/30/88
                   PROJECT DESCRIPTION:


                   GOAL:  Develop and test concepts for predicting key environmental transport,
                   transformation and distribution processes for exposure and risk assessments  of
                   toxics.
                   RATIONALE:   Computational procedures are needed for estimation of
                   photochemical, nydrolytic and other transformat'on rates used in  exposure
                   assessments.   Such computational approaches miir'mize the  amount of measurement
                   required and  provide the only Independent assessment of measured values.
                   APPROACH:  Conceptual relationships and equations relating licht absorption  and
                   rate constants to molecular structure will be developed for direct photolytic
                   and hydrolytlc transformation.  Process rate constants and equilibrium
                   constants wil" then be measured 1n the laboratory using natural components.
                   Resulting data will be used to evaluate and/o- modify the concepts and
                   resulting equations.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO OATE:
                   Approximately 15,000 lonization constants for pKa aTd pKb have been
                   collected from the literature and cataloged.  A pK database has been designed
                   for input of the constants.  This will be used to test the reliability of the
                   computational algorithm for predicting values of pka and pKb.   The algorithm
                   for computing pK has been written in Prolog.

                   An additional 680 UV absorption spectra have been digitized and added to
                   the spectral catabase.   This database will be used for calibration of computa-
                   tional algorithms and validation of the expert system's predictive capability
                   for photochemical rate constants.  The scheme for computing steric effects of
                   substituent groups at two levels distant from the center or mass of the molecul
                   was Implemented.

                   Work continues to:  1) develop a second molecular orbital computational
                   scheme suited for non-alternate organic compounds, 2) extend structural query

                                                 cont inued . . .
                                                                                                            DATE:  8/13/87

                                                                                                   CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCK'ITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   and spectural computational schemes to compounds having three or four condensed
                   rings, and 3) evaluate software and mooify "he code for graphic input of
                   molecular structure into SPARC.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   # 6929  JOURNAL ARTICLE ON ESTIMATING pKa's OF ORGANIC ACIDS AND BASES
                           DUE: 03/31/87   REVISED: 04/30/88   COMPLETED: 01/01/00

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PAGE:
        51
                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987
                                        CODE

                   BUDGET SUB-ACTIVITY: L104
                                 ISSUE: G
                               PPA (L): 20
                  TITLE

                  TOXIC CHEMICAL  TESTING &  ASSESSMENT  NONENERG"
                  STRUCTURE  ACTIVITY RELATIONSHIPS
                  STRUCTURE  ACTIVTr RELATIONSHIPS AND  ESTIMATION
                                                                             DATE:

                                                                    CLIENT  OFFICE:
                                                                                                                   8/13/87
                               PPA (S): 20       SAR/EST TECHNIQUES
                                    RC: K        ERL ATHNS
                               PROJECT: 15       PRC Relationships and Other Estimation Technicues
                       PROJECT OFFICER: Harvey W. Holm                   PHONE:  FTS-250-3103   '
                                      PLANNED START: 05/01/83
                                                                  PLANNED END:  09/30/99
                   PROJECT DESCRIPTION:


                   GOAL:  Expand data bases for establishing Property Reactivity Correlations
                   (PRC) and develop quantitative relationships oetween microblal rate constants
                   and molecular cescr 1ptIons.
                   RATIONALE:  There Is a need for developing prsd'ctlve models for fate and
                   effects based on SAR/PRC, because resource limitations preclude laboratory
                   characterization of all  chemicals of interest.
                   APPROACH:  Lab studies with natural water samoles will be used as a basis for
                   assessing fornulations for the kinetics of processes describirg microbial
                   transformation of pesticides and other toxic chemicals.  Emphasis will be
                   placed on measurements of biomass associated with transformations.   A
                   homologous series of compounds will be used to examine how systematic chances
                   in compound structure influence the microblal rate constants.  Product analyses
                   will be used tc verify common transformation mechanisms.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Dr. Benner made two oral presentations:  (1) "Mlcrosial transformations an
                   fate of partlculate organic matter in estuarlne waters and sediments" at the
                   Chesapeake Biological Laboratory, University of Maryland,  and (2) "Depletion of
                   13C 1n llgnin: Implications for stable carbon  isotope studies " at the Marine
                   Biological Laboratory, Woods Hole, MA.  He also participated in an EPA-sponsore
                   workshop "Ox1cation-reduction processes 1n sedJment/water/aquifer systems" Este
                   Park,  CO, and an NSF-sponsored workshop "Stable Isotopes as natural tracers in
                   ecosystems. Woods Hole,  MA.   Laboratory experiments were begun to compare
                   several estimates of bacterial biomass (microscopic direct counts, MPN determin
                   atlons, agar plate counts) for use in second-order "ate equations to predict th
                   transformation rates of xenobiotics (phenol and p-c-esol)  in natural waters.
                   John Barnett. technical  assistant, has been trained to carry out these studies,
                   which should be concluded 1n September 1987.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                                     NO REFERENCES IN DELIVERA3LES FILE FOR THIS PROJECT
                                                                                                            DATE:  8/13/87

                                                                                                   CLIENT OFFICE:
                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCKITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987
                                        CODE

                   BUDGET SUB-ACTIVITY: L104
                                 ISSUE: I
                               PPA (L): 26
                  TITLE

                  TOXIC CHEMICAL TESTING & ASSESSMENT NONENERGY
                  ECOLOGY:  ECTOXICITY AND RISK ASSESSMENT
                  DEVELOP METHODOLOGIES FOR ECOLOGICAL RISK ASSESSMENT
                                                 RISK ASSESSMENT DEV.
                                                 ERL ATHNS
                               PROJECT: 13       Predictive Techniques for Ecological Risk
                       PROJECT OFFICER: Ray R. Lassiter                  PHONE: FTS-2&0-3501
PPA (S): 26
     RC: K
                                      PLANNED START: 10/01/84
                                                                  PLANNED END: 09/30/
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PAGE:    53
                                                                                         DATE:

                                                                                CLIENT  OFFICE:
                                                                                                                   8/13/87
                                    THIRD QUARTER STATUS REPORT 0V FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987
                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:


                   1n August.

                   A fully automated resplrometer for swimming fishes 1n which definitive
                   studies of oxygen and toxicant uptake will be performed has been completed unde
                   the Montana S'.ate University cooperative agreement with subcontract to the
                   University of British Columbia, and preliminary tests have been conducted.

                   Plant Uptake Studies

                   Studies were completes for two species of aqua-.ic plants to determine their
                   uptake characteristics for di- and tetrachlorobenzene.  Equilibrium with the
                   water 1s reached for cichlorcbenzene within 3 days, but tetrachlorobenzene does
                   not saturate w'thin 20 days.  A model for chemical exchange between plant tnd
                   water was developed and is being tested agalns-. the experimental data.

                   Derivation of the plant toxicokinet 1c model aid Its implementation in
                   MathCAD code was followed by exploratory use o~ the model and comparison of
                   model output to experimental data.

                   Population Effects Model

                   First draft manuscripts describing the Individual growth model component o
                   the population effects model and the static population effects analysis were
                   completed.  A population model using a "family tree" algorithm has been com-
                     - -   -  -     sting and further development.  Ear'           '         '     '
pleted for test
,	  . .                  ,.     .      ly results show promise of real
benefits for use in risk assessment.   Model  results permit prediction of effect
on population density followed by recovery of the population after cessation of
exposure.  Multiple exposures as well as time varyiig exposures are possible.
A partial differential equation representation cf population response was form-
ulated, and work begun at the University of  Tenressee to Implement this in a
working computer program.  Description  of the population model and its comconen
individual-level models were Included in the workshop given in Wasnington lo up
date the program office personnel on the capabilities for risk assessment being
developed In our research program.  The population model coding was completed.

Development of Biota  Database for Risk  Assessment

An ecorlsk assessment database users and developers group was formed.
During the last EcoRisk all-investigators' meeting (March 1987), the need for
better communications was recognized and each membe" supplied a short descrip-
tion of tne database(s) under his/her control.  Thi> information was compiled
and distributed among the members.  The list will be updated appro
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  PAGE:    55
                                                           DATE:

                                                  CLIENT  OFFICE:
                                                                                                                     6/13/87
                                      THIRD QUARTER STATUS REPORT 0^ FY'87  PROJECT  DESCRITPIONS
                                       OFFICE  OF  ENVIRONMENTAL  PROCESSES  AND  EFFEC'S  RESEARCH
                                                 ERL ATHNS:  APRIL -  JUNE  1987
                     SCHEDULE AND STATUS OF  DELIVERABLES:


                     * 7514  REPORT ON STATISTICAL ANALYSIS OF  TESTS OF  ECOSYSTEM MODEL
                             DUE: 08/31/91    REVISED:  08/31/93    COMPLETED:  01/01/00
^TCE:
          56
                                                           DATE:

                                                  CLIENT OFFICE:
                                                                  8/13/87
                                      THIRD QUARTER STATUS REPORT ON FY'87 PROJECT DESCRITPIONS
                                       OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                                 ERL ATHNS: APRIL - JUNE 1987
                                          CODE

                     BUDGET SUB-ACTIVITY: L104
                                   ISSUE: I
                                 PPA (L): 26
TITLE

TOXIC CHEMICAL TESTING & ASSESSMENT NONENERGY
ECOLOGY: ECTOXICITY AMD RISK ASSESSMENT
DEVELOP METHODOLOGIES FOR ECOLOGICAL RISK ASSESSMENT
                                 PPA (S): 26       RISK ASSESSMENT DEV.
                                      Rt: K        ERL ATHNS
                                 PROJECT: 28       Risk Assessment Methodologies for Toxic Substances
                         PROJECT OFFICER: Robert B. Ambrose                PRONE: FTS-250-3160
                                        PLANNED START: 10/01/85
                                                                    PLANNED END: 12/31/99
                     PROJECT DESCRIPTION:


                     GOAL:  Develop computerized risk assessment system that helps OPTS analysts
                     conduct various tiers of risk assessments efficiently, Including methods for
                     quantifying uncertainty 1n risk analyses  and procedures for optimal use of
                     laboratory data, field studies, and modeling technicues.
                     RATIONALE:  Ris< assessment requires a wide variety of data and analysis
                     techniques to  Implement the multi-tiered approaches used by OPTS.  Efficient
                     software can help OPTS analysts bring together apprcpriate data and analysis
                     techniques In an appropriate structure for each specific risk assessment.
                     Present exposure and effects models rarely qlve the estimates of uncertainty
                     that are required to reduce total uncertainty while minimizing implementation
                     cost.
                     APPROACH:  A team will be assembled to review various types of risk assessment
                     conducted by OPTS.  Functional objectives will tnen be developed.  Existing
                     software be reviewed including GEMS and ANNIE.  Relational data bases will be
                     Incorporating all submodels, databases and uncertainty analysis techniques.s wil
                     Protocols will be evaluated by laboratory and field studies to optimize risk
                     assessment procedures.

                     PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                     A 3-day workshop entitled "Prototype Decision Support Software for Ecologl
                     cal Risk Assessment" was presented to OPTS staff.  As part of the workshop,
                     experts demonstrated the IRIMS Decision Support Software 1n EPA headquarters.
                     The workshop was attended by many program office staff.

                     Sensitivity and uncertainty analyses are being jsed to compare error pro-
                     pagatatlon 1n two different mathematical models of bioaccumulation of toxic
                     substances.  One approach uses thermodvnamic concepts to describe chemical
                     exchange; the other invokes a food chain approach.

                     An interagency agreement with the U.S. Bureau of Reclamation for develop-

                                                   continued . . .

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PAGE:   57                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT Ot FY'87 PROJECT DESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL^- JUNE 1987^


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   ment of a decision support system was Initiated.  This agreement enables a
                   "translation" of the IRIMS system developed by ;IASA to the program goals of
                   the EcoRlsk research program.

                   SCHEDULE AND STATUS OF DELIVERABLES:


                   * 7493   Computer Program for Prototype Ecological Risk Assessment System
                           DUE: 08/31/88   REVISED: 01/01/00   COMPLETED: 01/01/00

                   # 7496   Update WASP 4.1 Aquatic Exposure I'odel for Risk Assessment
                           DUE: 09/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   # 7497   Update Stratified Lake Transport fodel for Risk Assessment
                           DUE: 09/30/88   REVISED: 09/30/89   COMPLETED: 01/01/00

                   # 7498   Sedinent Transport Model for Risk Assessment
                           DUE: 09/30/88   REVISED: 01/01/00   COMPLETED: 01/01/00

                   # 7499   General Bed-Water Exchange Model for R-sk Assessment
                           DUE: 09/30/88   REVISED: 09/30/89   COMPLETED: 01/01/00
        58                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                     THIRD  QUARTER  STATUS  REPORT  ON  FY'87  PROJECT  DESCRITPIONS
                                      OFFICE  OF  ENVIRONMENTAL  PROCESSES AND  EFFECTS  RESEARCH
                                                ERL ATHNS:  APRIL  - JUNE 1987

                                         CODE     TITLE

                    BUDGET  SUB-ACTIVITY:  L104     TOXIC  CHEMICAL  TESTING & ASSESSMENT  MONENERGY
                                  ISSUE:  J        SUPPORT
                                PPA  (L):  30      TECHNICAL  EVALUATION AND ASSESSMENT

                                PPA  (S):  3D      TECHNICAL  EVALUATION
                                     RC:  K        ERL  ATHNS
                                PROJECT:  31      Technical  Evaluation j.nd Assistance
                        PROJECT  OFFICER^Lee^Mulkey^        „„„„„„,.„  JH2N^ : »FIS;2^°;3i6°

                                       PLANNED START:  10/01/79     PLANNED END:  12/31/99
                    PROJECT  DESCRIPTION:


                    GOAL:  Provide  technical  assistance  to  OTS  and  other  program  off'ce-s  on  complex
                    problems  relating  to  environmental exposures, system  effects,  hazards/risks,
                    and  benefit-r1s< assessments  for  toxic  chemicals  reculation and  control.
                    RATIONALE:   OTS  and other  offices  (e.g.,  OW,  OPP,  OSW and  OPPE.  Recjons)
                    engaged  in  toxic chemical  regulations and assessments require  technical
                    assistance  from  ORD.   This  project will  maintain  the  required  inhouse  and
                    extramural  expertise.
                    APPROACH:   Athens  ERL  staff will  organize and participate  1n  appropriate
                    consultations, workshops,  reviews, special  projects,  etc.,  in  support  of OTS
                    and  other Agency activities,  Including  the  review of  TSCA  documents,  position
                    papers,  strategies, etc.,  as  expertise  and  resources  permit.   Access  to  "on
                    demand"  exhouse  expertise  and  assistance for  OTS,  Regions,  Stages  and  other
                    related  office  activities  will  also  be  provided  via maintenance  cf appropriate
                    contracts and  liaison  with  CERI  and  other Agency  support groups.   Support,
                    provided  under  :his project.tion,  and assistance  to "integrated  toxics"  projects
                     will  also  be

                    PROJECT  STATUS AND ACCOMPLISHMENTS TO DATE:
                    Technical  Information  on  exposure  modeling  activities  was  provided  to  Mr.
                    Jack  Gakstatter  and  Ms.  Jean  Parker,  QRD  Liaisons  with Regions  3  and  10.   Model
                    and  technical  assistance  provided  to  the  two  regions was  reviewed.  Exposure
                    modeling  courses  and other  training was described.

                    Paul  M1tn1k   State  of  Maine,  was given  technical  information  on stratified
                    estuary  application  of WASP  and MERGE,  an ocean  discharge  model.

                    Wayne  Davis,  Water  Monitoring  Team, Region  5,  was  provided  with technical
                    Information  on exposure modeling.  Mr.  Davis  recently  joined  Region 5  and  will
                    review exposure  modeling  efforts 1n the Region.

                    SCHEDULE  AND  STATUS  OF DELIVERABLES:

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PAGE:   59                                                                                                  DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT OM FY'87 PROJECT DESCRITP10NS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS:  APRIL - JUNE 1987


                   SCHEDULE AND S'ATUS OF DEL IVERABLES:
                   I 7433  INTERNAL REPORT ON STATUS OF EXPOSURE & RISK MODELING
                           SUPPORT PROVIDED BY CWQM TEAM.
                           DUE: 09/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00

                   I 7649  INTERNAL REPORT ON STATUS OF CHEMICAL REVIEWS, ASSESSMENTS AND MODELING
                           SUPPORT/TRAINING PROVIDED.  (K)
                           DUE: 09/30/87   REVISED: 01/01/00   COMPLETED: 01/01/00
PAGE:   60                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'87 PROJECT OESCf;ITP IONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: R551     SUPPORT SERVICES-R&D
                                 ISSUE: A        SUPPORT SERVICES, ORD
                               PPA (L): 01       PROGRAM SUPPORT

                               PPA (S): 01       PROGRAM
                                    RC: K        ERL ATHNS
                               PROJECT: 32       Support Services
                       PROJECT OFFICER:                                  PHONE: FTS-250-3127
                                      PLANNED^START: 12/01/70^   ^PLANNED^END:  12/31/99


                   PROJECT DESCRIPTION:
                   GOAL:  Provide the non-personnel support services needed to operate OEPER/O^O's
                   Athens Environmental Research Laboratory,  "he services Include, but are not
                   limited to, utilities, janitorial, guard services, facilities operation, and
                   maintenance contracts.
                   RATIONALE:  The services are required to keep Athens Environmental Research
                   Laboratory operating.

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                                           NO PROJECT STATUS TEXT AVAILABLE

                   SCHEDULE AND STATUS OF DELIVERABLES:
                                     NO REFERENCES IN DELIVERABLES FILE FOR THIS PROJECT

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PAGE:    61                   '                                                                               DATE:   8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT 0» FY'87 PROJECT OESCRITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFEC'S RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987

                                        CODE     TITLE

                   BUDGET SUB-ACTIVITY: Y105     HAZARDOUS SUBSTANCES NON-ENERGY
                                 ISSUE: F        PROVIDE TECHMCA. SUPPORT TO ENFORCEMENT.  PROGRAM f REGIONS
                               PPA (L): 22       Enforcement and Other Technical Support/EPE

                               PPA (S): 22       Technical Support
                                    RC: K        ERL ATHNS
                               PROJECT: 04       Enforcement and Other Technical Support/EPE
                       PROJECT OFFICER: Harvey W. Holm ^         ^       PHONE:   8-250-3134

                                      PLANNED START: 03/30/87     PLANNED END: 12/30/99
                   PROJECT DESCRIPTION:


                   GOAL: To provide Reg. technical support  expert advice, and new methods to
                   conduct exposure/risk assessments for CERCLA sites. Emphasis 1s on the hazard
                   ranking process and subsequent RIFS analysis.  RATIONALE:  Exposure assessment
                   and fate/transport models, automated databases for soil, chemical biological
                   and meterological properties, and process transformation descriptions are inder
                   development or completed.  Application and transfer of such technology to
                   CERCLA ranking/assessment procedures/protocols have been limited.  Working with
                   Region 4/ATSDR will permit immediate application of improved methods, identify
                   knowledge gaps, allow a focused study of exposure, health and environmental
                   assessments.  APPROACH:  AERL, the Regions, via Region 4, and ATS03 will
                   Identify opportunities for joint technical activities, and demonstrate Improved
                   exposure and risk assessments.  Case studies will be conducted including
                   application of existing rank methods (MRS), mathematical models  (nultimedla
                   analyses)  and ecological risk procedures.  ResLlts will be compared to
                   for additional research in fate/transport and exposure/risk assessment.sfer, and
                    provide a basis

                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   An exposure assessment workshop was developed for presentation to Regional
                   and Headquarters staff and management engaged 'n exposure and risk assessment.
                   Emphasis 1n the first of a series of four planned workshops will be water-
                   related exposure.  Dates are August 11-13, 1987, in Athens, GA.  Attendees will
                   receive operational versions of computer models and handbooks for conducting
                   exposure assessments.

                   A technical review and modeling assessment was completed April 27  1987,
                   for a Region IV investigation of remedial actions aj: a disposal sue in Florida
                   The rates of movement 1n soils for ethyl-4,4'-cichlorobenz 1 late, 4,4-dichloro-
                   alpha-trichloromethylene hydrol, DDT  DDE, and chromium were modeled as part of
                   the basis for recommending appropriate remedial actions.

                                                 continued .  . .
        62                                                                                                  DATE:  8/13/87

                                                                                                   CLIENT OFFICE:

                                    THIRD QUARTER STATUS REPORT ON FY'«7 PROJECT DESCK'ITPIONS
                                     OFFICE OF ENVIRONMENTAL PROCESSES AND EFFECTS RESEARCH
                                               ERL ATHNS: APRIL - JUNE 1987


                   PROJECT STATUS AND ACCOMPLISHMENTS TO DATE:
                   Reviews and discussions on the role of ecological assessments in initial
                   hazard ranking for potential National Priority List sites were held with Re-
                   gional and Headquarters staff.  A work plan has been developed to "nvestigate
                   approaches for more comprehensive ecological risk assessments consistent with
                   NPL ranking.

                   An Interagency Agreement with the U.S. Bureau of Reclamation for the devel
                   opment of decision support systems for ecological risk assessment was initiated
                   This agreement will produce a computer-based system to combine loacing.  ex-
                   posure, and effects data/models for efficient, multimedia analys's of pollutant
                   release,  fate, and effects.

                   A cooperative agreement to characterize and define interactions within a
                   mlcrobial community that affect anaerobic degradaticn processes is being nego-
                   tiated with Dr. L1ly Y. Young, New York University Medical Center.

                   SCHEDULE AND STATUS OF DELIVERABLES:
                   # 7772  Report on technical support to Regions for multimedia exposure assessments
                           related to remedial actions.
                           DUE: 11/30/87   REVISED: 01/01/00   COMP.ETED: 01/01/00

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