ornl
 OAK RIDGE
 NATIONAL
 LABORATORY
    HTI*I MM fri
                         ORNL-6051
Report on the Workshop on Food-Chain
      Modeling for Risk Analysis
                                   J. E. Breck
                                   C. F. Baes I
                            ENVIRONMENTAL SCIENCES DIVISION
                                Publication No. 2340
 OPERATED BY
 MARTIN MARIETTA ENERGY SYSTEMS, INC.
 FOR THE UNITED STATES
 DEPARTMENT OF ENERGY

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                                                  ORNL-6051
                Report on the
       Workshop on Food-Chain Modeling
               for Risk Analysis
                 J. E. Breck
                C.  F.  Baes III
       Environmental Sciences Division
             Publication No.  2340
     EPA Project Officer:   A.  A.  Moghissi
         Date  of  Issue  - February  1985
                 Prepared for
      Office of Research and Development
     U.S. Environmental  Protection Agency
            Washington,  D.C.  20460
EPA Interagency Agreement No.  DW 89930292-01-0
                (DOE 40-740-78)
                Prepared  by the
         OAK  RIDGE  NATIONAL LABORATORY
          Oak Ridge, Tennessee 37831
                 operated by
     MARTIN MARIETTA ENERGY  SYSTEMS, INC.
                    for the
           U.S.  DEPARTMENT OF  ENERGY
     under Contract No.  DE-AC05-840R21400

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                              DISCLAIMER

     Although the research  described in this report has  been  funded  by
the United  States Environmental  Protection  Agency through  Interagency
Agreement   Number  DW 89930292-01-0   with   the   Oak   Ridge   National
Laboratory,  it  has  not been  subjected to the  EPA's  required peer  and
policy review and, therefore, does  not necessarily reflect  the views  of
the agency, and no official  endorsement should be inferred.
                                   n

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                               CONTENTS
                                                                   Page
DISCLAIMER	    ii
LIST OF FIGURES	     v
LIST OF TABLES	vii
ABSTRACT	    ix
ACKNOWLEDGEMENTS 	    xi
1.  INTRODUCTION 	     1
    1.1  OBJECTIVES	     1
    1.2  ACTIVITIES	     3
    1.3  PRESENTATIONS 	     8
2.  AQUATIC FOOD CHAIN MODELS	    13
    2.1  MODELS BEST SUITED TO SYNFUELS RISK ANALYSIS	    14
         2.1.1  Concentration Factor Model 	    14
         2.1.2  Dynamic, Bioenergetics-based Models  	    16
         2.1.3  Comments For All  Models	    21
    2.2  DATA SOURCES AND PARAMETER ESTIMATION METHODS 	    26
    2.3  MAJOR LIMITATIONS ON EXISTING DATA AND METHODS  	    30
    2.4  CONCLUSIONS	    34
3.  TERRESTRIAL FOOD CHAIN MODELS  	    36
    3.1  MODELS BEST SUITED TO SYNFUELS RISK ANALYSIS	    36
    3.2  DATA SOURCES AND PARAMETER ESTIMATION METHODS 	    42
    3.3  MAJOR LIMITATIONS ON EXISTING DATA AND METHODS  	    47
4.  REFERENCES	    55
APPENDIX A. AGENDA	    61
APPENDIX B. LIST OF PARTICIPANTS	    64
                                  ill

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                            LIST OF FIGURES
Fig. 1.  Components of the overall human health risk  assessment
         methodology for synfuels technologies 	       2
Fig. 2.  Bioaccumulation   factor  vs  octanol-water   partition
         coefficient  for different  trophic  levels in a linear
         food chain	      20
Fig. 3.  Pathways  addressed  in  the   terrestrial   food  chain
         computer code TERREX	      37

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                            LIST OF TABLES


                                                                   Page
Table 1.  Risk analysis units (RACs)	        4

Table 2.  Variable names and  descriptions of parameters  in  the
          SITt* data base	       38
Table 3.  Transport parameters for synfuels food-chain exposure
          assessment	       43
                                  Vll

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                               ABSTRACT
     BRECK, J. E.,  and  C. F. BAES III.    1985.    Report   on  the
          workshop  on  food-chain  modeling   for   risk  analysis.
          ORNL-6051.   Oak  Ridge  National  Laboratory,  Oak  Ridge,
          Tennessee.   82  pp.
     The Workshop on  Food-Chain  Modeling for Risk Analysis was  held in
Washington, U.C., on  March  22-24,  1983.  The workshop was  sponsored by
the  U.S.  Environmental  Protection  Agency,  Office  of  Research  and
Development  (EPA/ORD),  and  supported  under the  Integrated  Health  and
Environmental Risk Analysis  Program  (IHERAP) for  Synfuels.   Atmospheric
and  aquatic  dispersion  models,  aquatic  and  terrestrial  food-chain
transport  models,  and  models  that  estimate  risks  from  calculated
environmental  exposures to  synfuels  effluents   (dose-response  models)
are used  to assess health  risk  from sunfuels effluents.   The  workshop
focused  on  the  aquatic  and  terrestrial   food-chain  models  currently
being used in the risk assessment process.
     The workshop was  attended by both modelers  and  experimentalists -
all with  some experience  in  risk  assessment.   During  the  first  day,
each participant presented a summary of  recent work  or  a review of work
of  interest.   After  the  presentations,  topics  of  discussion  included
(1) models  best   suited  for  synfuels   risk assessment,  (2) best  data
sources   and   methods  of   estimating   model   input   parameters,   and
(3) limitations   inherent   in   the   models  used  for   risk   analysis.
However,  discussions  touched  on  all  areas  of food-chain  modeling  for
risk assessment.  Discussions  on the complementary  roles of the modeler
and  the   experimentalist,   estimation  of  model   uncertainties,   and
                                   IX

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integration of  food-chain models with  other  aspects of  the  assessment
approach  were  particularly  relevant.   On  the  second  day,  discussions
continued  and  participants  logged  the  discussions  and  conclusions  in
which  they took part.   On the  last  day,  a  collective  exposition  was
presented,   discussed,   and   edited.    This   report   details   the
presentations  made   by  the  workshop   participants,   the   collective
exposition on topics discussed, and the conclusions reached.
     The  workshop  concluded  that  in   aquatic  food-chain  modeling  of
chronic    low-level   releases   of   synfuels   effluents,    a   simple
concentration   factor  approach   is   appropriate.     For   terrestrial
fooa-chain models  the  need for greater model complexity  was  recognized
to  account for location-specific variations  in agricultural  practice,
although  the  estimation   of   terrestrial  transport  is  also  achieved
through  the  use  of  concentration  factors.   For  both  aquatic  and
terrestrial models,  using field  data is the best  method  for  estimating
concentration  factors,  but  where  such  data  do not exist,  laboratory
data can be used.  If  no  data exist for a particular compound  or class
of compounds,  estimates can be made using partition  coefficients based
on  structure-activity  relationships.   Finally,  the  workshop  recognized
the need to estimate the uncertainty associated with model output.

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                            ACKNOWLEDGMENTS

     Dr.   Lawrence   W.    Barnthouse,    Charles   F.   Baes   III,   and
Dr. James E. Breck,  all   of  the  Environmental   Sciences  Division  of
Oak Ridge  National   Laboratory   (ORNL),  planned  and   organized   the
technical program.   Barnthouse was  to  be the  Workshop  Moderator,  but
because he was unable to  attend,  this  duty was assumed  by  Mr.  Baes and
Dr. Breck.
     Special thanks go to  Dr.  Melvin W.  Carter  of the Georgia Institute
of  Technology for  making  the  meeting   arrangements  and  coordinating
travel  plans and  to Barbara  Burns for typing  assistance during  the
workshop.  The workshop  organizers  also  wish to  thank  the  participants
(listed in Appendix B) for their hard work at the conference.
     This workshop was sponsored  and supported  by the Integrated Health
and Environmental Risk Analysis  Program  for  Synfuels  of EPA's Office of
Research  and  Development  under Interagency Agreement No.  DOE 40-740-78
(EPA  No.  DW 89930292-01-1)  with the  U.S.  Department  of  Energy  under
Contract  No. DE-AC05-840R21400  with  Martin Marietta   Energy  Systems,
Inc.  The Project Officer  is Dr. A.  Alan Moghissi.
                                   XI

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                            1.   INTRODUCTION

1.1  OBJECTIVES
     The Workshop on  Food-Chain Modeling for Risk Analysis was  held  in
Washington, D.C., March 22-24,  1983,  and  was  sponsored  and  supported  by
the  Integrated  Health  and Environmental  Risk  Analysis  Program for
Synfuels,  U.S.  Environmental  Protection Agency  Office  of  Research and
Development   (EPA/ORD).    This   particular    workshop    focused    on
applications  in  the  area  of  synfuels  and  considered  both  terrestrial
arid  aquatic  food chains leading  to  man.  The  purpose  of  the  workshop
was  to  obtain  the  recommendations  of  experts  on  (1) terrestrial and
aquatic  food-chain  models  best  suited  to  synfuels   risk   analysis,
(2) data   sources  and  parameter  estimation  methods  best  suited  to
synfuels risk  analysis, and (3) major limitations on existing  data and
methods.   Appendixes  A and  B,  respectively,  contain the agenda  and  list
of participants.
     The aquatic and  terrestrial  food-chain  exposure models are  parts
of an  overall  assessment  process  that  estimates the human health  risk
attributable  to  alternative  synfuels  technologies   (Fig.  1.).   These
particular models estimate  the  concentrations of chemicals  (or  chemical
groups)  released from  synfuels facilities  in  aquatic  and  terrestrial
foods.  From  the concentrations in foods, exposures  to  individuals and
populations are  calculated; exposures (or  intakes) are  related  to  risks
by applying  models that  incorporate dose/response relationships.  The
risk  analyses  in Fig. 1.  are  based  on  a characterization of  synfuels

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                       SOURCE TERMS
                      EMISSION  RATE
                         (Mg/year)
              AQUATIC
              TRANSPORT
    I     I
 CONCENTRATION
IN WATER (pg/L)
                       ATMOSPHERIC
                        TRANSPORT
H
                                DEPOSITION RATE
                                   ((jg/m3/s)
               1
              AQUATIC
             FOOD-CHAIN
             TRANSPORT
                                 CONCENTRATION
                                 IN AIR  (pg/m3>
                        TERRESTRIAL
                        FOOD-CHAIN
                        TRANSPORT
           CONCENTRATION
             IN AQUATIC
           FOODS (pg/kg)
DRINKING WATER
 AND  CONTACT
                      CONCENTRATION
                      IN TERRESTRIAL
                      FOODS  (pg/kg)
                          HUMAN
                         EXPOSURE
                        ASSESSMENT
                            I
                                        INHALATION
                       HUMAN HEALTH
                           RISK
                        ASSESSMENT
  Fig. 1.   Components  of the overall  human  health  risk  assessment
          methodology for synfuels technologies.

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plant waste  streams by  their  risk  analysis  categories (RACs)  content
formerly Rish  Analysis Units  (RAUs).   RACs  are  chemicals grouped  for
the  purpose of  risk  analysis  (Moghissi  and  Foley  1982).   For  this
project, 39 RAUs have been defined (Table 1.).
     The  overall  purposes   of  this  risk  assessment  methodology  for
synfuels  are  to identify  chemical  groups   (RACs)  that  could  pose  a
problem for human health  and to  compare  the  health  risks of alternative
synfuels technologies.   Several  approaches  could  be taken  in  assessing
the potential health effects of each RAC.
     First,  one  could  use  the  conservative  approach  used in  certain
screening assessments  to  identify  potential  problems.   Parameter values
used  in the risk  calculations could be  chosen conservatively  so  that
the  human  health  risk is  not likely to  be underestimated.   Chemical
groups  that do  not produce  significant risk,  even with  conservative
calculations,  are  unlikely  to  cause  problems.   In this  application,
some RACs  identified  as being potential  risks  will  not be shown  to be
of great risk  upon  more detailed investigation.  However,  for  this type
of screening,  false positives  (safe RACs  identified  as  health  risks)
are  more  acceptable   or  tolerable  than missed  faults   (problem  RACs
passed  as safe).
     A  second  approach  is to use a single number for  each parameter in
the calculations that  represents a typical  or  average value  —  a best
guess.   Deterministic  calculations  would   then   produce  a   typical,
average, or "best-guess"  value for the risk associated with each RAC.

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Table 1.  Risk Analysis Categories (RACs)
RAC No.
Category
Description/Chemical  Makeup
1
2
3
4
5
6
Carbon monoxide
Sulfur oxides
Nitrogen oxides
Acid gases
Alkaline gases
Hydrocarbon gases
CO
SOX
NOX
H2S, HCN
NH3
Methane through butanes,





acetylene, ethene
   7        Formaldehyde
   8        Volatile organochlorines
   9        Volatile carboxylic acids
  10        Volatile O&S heterocyclics
  11        Volatile N-heterocyclics

  12        Benzene
  13        Aliphatic/alicyclic
  14        Morio/diaromatic hydro-
              carbons (excluding
              benzene)
  15        Polycyclic aromatic
              hydrocarbons
  Ib        Aliphatic amines(excluding
              N-heterocyclics)
  17        Aromatic amines (exluding
              N-heterocyclics)
  18        Alkaline nitrogen hetero-
              cyclics [azaarenes]
              (excluding volatiles)
  ly        Neutral N, 0, & S hetero-
              cyclics (excluding
              volatiles)
  20        Carboxylic acids
              (excluding volatiles)
  21        Phenols
  22        Aldehydes and ketones
              (carbonyls) (excluding
              formaldehyde)
  23        Nonheterocyclic organo-
              sulfur
  24        Alcohols
  25        Nitroaromatics
                     through butenes;  Ci-C4 alkanes,  alkynes
                     and cyclo compounds;  bp < ~20°C
                   CHO
                   To bp~120°C; C^CLz,  CHCL3,  CC14
                   To bp ~120°C; Formic and acetic acids only
                   To bp~120°C; Furan, THF, thiophene
                   To bp~120°C; pyridine, piperidine,
                     pyrrolidine, alKyl pyridines
                   Benzene
                   Cs (bp ~40°C) and greater; paraffins,
                     olefins,  cyclopcompounds, terpenoids,  waxes,
                     hydroaromatics
                   Toluene,  xylenes, naphthalenes, biphenyls,
                     alkyl derivatives

                   Three rings and greater; anthracene,  BaA,  BaP,
                     alkyl derivatives
                   Primary,  secondary and  tertiary nonhetero-
                     cyclic  nitrogen,  MeNH2, DiMeNH,  TriMeN
                   Anilines, napthylamines, amino pyrenes;
                     nonheterocyclic nitrogen
                   Quinolines, acridines,  benzacridine;  excluding
                     pyridines

                   Indoles,  carbazoles, benzofurans,  dibenzo-
                     thiophenes

                   Butyric,  benzoic, phthalic, stearic

                   Phenol, cresols, catechol, resorcinol
                   Acetaldehyde, acrolein, acetone
                   Mercaptans,  sulfides,  disulfides,  thiophenols,
                   CS2
                   Methanol,  ethanol
                   Nitrobenzenes,  nitropyrenes

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Table 1. (continued)
RAC No.
26
27
28
29
30
31
32
33
34
3b
36
37
38
39
Category
Esters
Amides
Nitriles
Tars
Respirable particles
Arsenic
Mercury
Nickel
Cadmium
Lead
Other trace elements
Radioactive materials
Photochemical oxidants
Other materials
Description/Chemical Makeup
Acetates, phthalates,
Acetamide, formamide,
formates
benzamides
Acrylonitrile, acetonitrile


As, all forms
Hg, all forms
Ni, all forms
Cd, all forms
Pb, all forms

Ra-226
Ozone













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     A third approach, similar  to  the  second,  attempts  to propagate the
variance  associated  with  each  parameter.   In  the  best  case,   the
uncertainty  or  variability  associated  with  each  parameter  would  be
characterized by a distribution of  values,  and the  resulting  assessment
calculations  would  produce   a  probability  distribution  of  the  risk
associated  with  each RAC.   This  approach   is  more  complicated   and
requires  acquisition of  more  data and,  consequently,  requires  more
effort.   However,  in  the  best case,  it  could produce  results  that
include  and  surpass  the  results of both  methods mentioned  previously:
the mean or median of the distribution of risk  is similar  to  the  result
from the second approach mentioned, and the  95th or 99th  (or  99.99th or
other selected) percentile of the  risk distribution may approximate the
result obtained by the first screening  method.
     The purpose  of  these synfuels risk  assessments  is not  regulatory
screening in which regulatory action  would be  initiated  or  recommended
if conservative screening levels are exceeded.   Rather, the purposes of
these  synfuels  risk  assessments are  to  identify RACs  likely to cause
significant   health   risks   and   to   compare   alternative   synfuels
technologies using the best available  estimates  of  their  risks  to human
health.   At   this  stage  of   the   evaluation  of    the   alternative
technologies,  both  missed  faults  and  false  positives  are   to  be
avoided.   (Reducing  the  probability  of  one  type  of  error  tends  to
increase  the   probability  of   the  other;  a  single  method   cannot
simultaneously minimize each  type  of  error.)   Users  of the  food-chain
risk  assessment methodology  described  in  this report  will  need  to
decide the approach that  best fits  their  assessment  goals.

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     This workshop is one in a  series  covering  different  aspects  of the
Integrated Health and Environmental  Risk  Analysis Program  (IHERAP)  for
synfuels.    The   workshop  considered  contaminant  accumulation   and
transfer  in  food  chains,  not  physical   transport   in   the   ambient
environment.   A   previous  workshop  (Georgia Institute  of  Technology,
Atlanta,  Georgia,   January 18-20,   1983)  covered  aquatic  transport
modeling for risk analysis (Donigian and Brown 1983).

1.2  ACTIVITIES
     The agenda  for  the workshop is presented  in Appendix A.  After  a
welcome   by  Dr.  Mel   Carter   and  some   introductory  remarks   by
C. Fred Baes III,  Or. Alan Moghissi gave  a  charge  to  the workshop.
Several  of   the  attendees presented short  talks to the entire  group
about  recent research  they  have conducted  in  workshop-related  areas.
These presentations are summarized in Sect. 1.3  of this  report.
     The  workshop  was  then   divided  into  aquatic   and  terrestrial
discussion  groups.   Each group  reviewed  and discussed  the  issues  and
wrote a several-paragraph summary of their  discussion.   These summaries
were combined, typed, and reviewed by  the group on  the  final  day  of the
workshop.   This   report  is  an  edited  and  expanded  version  of  this
combined report.

1.3  PRESENTATIONS
     After  a welcome  from  Dr. Melvin W. Carter  (Georgia  Institute  of
Technology),   Dr. A.  Alan Moghissi,    EPA   Project  Officer   for   the
Integrated  Health and  Environmental  Risk Analysis  Program (IHERAP) for

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                                   8
Synfuels of EPA's  Office  of Research and Development, gave  a  charge to
the   workshop   participants.    He  briefly   described   the   synfuels
activities currently  supported by  IHERAP.   Dr.  Moghissi explained  the
use of RACs in relation to  the risk  analysis  of  synfuels chemicals.   He
defined the  objective of  the workshop  as  using  the  expertise of  the
participants to assist risk  analysts  in  deciding  which food-chain  model
to use.
     In  his  presentation  titled  "Conceptual Framework  for  Foodchain
Exposure   Assessment,"   Charles F. Baes III   (ORNL)    described    the
terrestrial food-chain model he has  been  using  (see  Sect.  3.1)  as  it
has  been  applied  in  assessments  of exposures  to synfuels  chemicals.
The  four   key  issues  Baes  suggested for  consideration  in  examining
food-chain models for risk analysis of synfuels were:
     1.   Is the model structure appropriate?
     2.   How should parameters be quantified?
     3.   What are  the  major  sources of uncertainty,  and how  can
          they be quantified?
     4.   Where should future efforts be directed?
     James E. Breck (ORNL)  discussed  estimation of food-chain  uptake of
chemicals  by  fish  by expansion  of  a   structure-activity  relationship
that considers only chemical  uptake  from water.   The  structure-activity
relationships  used are  regressions  between   some chemical   parameter,
such as the octanol-water partition  coefficient or solubility  in water,
and some biological activity of the compound, such as  bioaccumulation.
By applying  some simplifying  assumptions,  the octanol-water  partition

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coefficient  K    can  be  used  to  compute  the steady-state  contaminant
concentration in fish  resulting  from both direct uptake from  water  and
uptake  from  food  (see Sect.  2.1).   The  results  of such  computations
suggest  that  for   chemicals   that  bioaccumulate  because   they   are
lipophilic,  a  K    exists  below  which food-chain  uptake is  negligible
                ow
and  may be  ignored.  For such  chemicals,   a  bioconcentration  factor
(BCF) model  should  adequately  predict the contaminant  concentration  in
fish.
     James Falco (EPA/ORD)  described recent work  in  estimating  human
exposures  from  hazardous   waste  sites  and  from  contaminated  foods.
Recent  assessments  have moved away  from  "worst-case"   analyses  toward
methods  that  estimate   upper  and   lower   bounds  of  exposure   or,
preferably,  the  entire distribution of exposure.   Human exposures  from
contaminated foods are estimated by (1)  monitoring  food contaminated  by
chemicals  such   as  pesticides  and  (2) modeling  chemical transport  and
transformation up the  human food chain.   Bioconcentration  factors  have
been  used   to   predict   the  concentration   of  chemicals   in   fish.
Concentration ratios  of  chemicals  in fish to chemicals  in  sediment  are
useful  when  the  contaminant is undetectable  in  the water;  however,  such
ratios  are  not  accurate  for  running  waters,  where  concentrations
observed  in  catfish  and   other  bottom  feeders  are   only  5%  of  the
calculated values.
     Jerry   Eisele   (Oak   Ridge   Associated   Universities,   Comparative
Animal  Research  Laboratory)  presented  information  on   his  experiments
with poultry, swine,  and dairy cattle.  He  described movement of several

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                                   10

RAUs   [naphthalene   (RAC  14),   o-naphthol   (RAC  21),   and   7-methyl
benz(c)acridine (RAC 18)] through  animals  to  human  food products  (e.g.,
meat,  eggs,   and   milk).   Chemical  distribution   and  concentration
differed  among the  animals  tested.   For  example,  naphthalene fed  to
dairy  cows reached  an  approximate  equilibrium  concentration  in  milk
within  30  d,  but  naphthalene  fed  to  chickens  remained  far  from
equilibrium concentration in eggs after 30 d.
     Craig McFarlane  (EPA Corvallis)  described his  planned  experiments
to quantify the  rates  of transfer of  chemicals to plants.  After  some
introductory  remarks  on plant physiology,  he described the  laboratory
apparatus  constructed  for plant  uptake experiments.  He plans  to  study
chemicals  that  span  a  range  of  values  for  K    and   Henry's   Law
constants,  beginning  with   the   compound  bromacil.   The  results   are
intended for use in terrestrial food-chain models.
     Chuck  Garten   (ORNL)   discussed  his   study  of  empirical   and
statistical terrestrial  food-chain  models.  Working with  John  Trabalka
(ORNL),  he  developed  regression  models  that  predict  the   chemical
concentration  factor  (CF) for  ruminant fat, nonruminant fat, and  avian
fat  based  on  a  chemical's  water  solubility  or  its  K  .   They found
that the coefficient  of determination  for the  regressions decreased  as
additional  chemicals  were   included  in  the  analysis   and  that error
bounds on  the predicted CF  were  large -- plus or  minus two orders  of
magnitude.  The  CFs  for mammalian fat,  nonrodent fat,  and avian  fat
                         2
could  be  estimated   (r   =  0.91  and   0.72,   respectively)  from   a
chemical's  CF in  rodent fat.   A chemical's  persistence  in  the  soil

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                                   11
half-life,  however,  could  not  be  predicted  adequately  from  K    or
                                                                  ow
water solubility.
     John  Connolly   (Manhattan   College)   presented  the   results   of
research  on  modeling  the bioaccumulation  of  contaminants  by  several
trophic  levels  in aquatic systems.   Using  a bioenergetics  approach,  a
detailed model  simulates  the assimilation of  polychlorinated  biphenyls
(PCBs) by  lake  trout in Lake Michigan.   The model accounts for  direct
uptake from the  water  as  well  as food-chain  transfer from phytoplankton
to  the  opossum shrimp  (Mysis) to the alewife  to  the lake  trout.   The
model has also been  applied to the  accumulation of PCBs  by yellow perch
in Saginaw Bay of Lake  Huron and kepone  by  striped bass  and croakers in
the  James River.   Connolly  compared  field  data  and simulated  kepone
concentrations in croakers; good agreement existed between the two.
     John   Nagy,  Brookhaven  National   Laboratory   (BNL),   presented
concerns  of  human  health risk  analysts about  the  uncertainty  of  the
data  used in  food-chain  models.   As data  are passed  from scientists
involved  in basic research to environmental modelers  to risk  analysts,
information  about the  uncertainty  associated  with  the  data  and  the
applicability of the data for particular purposes should  be passed  on.
Nagy  critically  examined  the   reported BFs   for  vinyl  chloride  and
polyaromatic  hydrocarbons  (PAHs)  in fish.    He  suggested  that  risk
analysts should  be aware  of  the  variation  among reported values and  the
importance  of considering  the  influence  of  the fish  lipid  level  in
selecting the appropriate value  to use in a particular application.

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                                   12

     Paul Moskowitz  (BNL)  described the use of food-chain  model  output
in assessing  the risk  of  synfuels technologies  to human  health.   The
health risk  is  initially being  assessed  by estimating, for  each  route
of  exposure  (aquatic  foods,  terrestrial   foods,   inhalation,  drinking
water, etc.).  the  annual  cancer  incidence rate  induced   by  emissions
from  synfuels  plants.   Dose-response  models  are   used  to  predict  the
annual cancer incidence rate from  the  total  mass of each RAC  in aquatic
or terrestrial foods  consumed  by people.    Comparisons can  then  be  made
of  the  differences  in  cancer  incidence   rate  among the  pathways  of
exposure, among RACs, and among alternative synfuels technologies.
     F. Owen Hoffman  (ORNL)  discussed  uncertainties associated  with the
output of models.   He distinguished between  research models, that  are
used   to  enhance   understanding   of   mechanisms   and  processes   and
assessment  models  that  are  used to  make   predictions  upon   which
decisions are  made.   Several  sources  of  model  uncertainty  are  (1) a
particular  model's  abstraction  of  reality,  (2) variability  in   the
model's      parameters,      (3) correlations      among      parameters,
(4) site-specific  capabilities,   and   (5) deterministic  estimates  that
ignore system variability.

                     2.  AQUATIC FOOD-CHAIN MODELS

     Aquatic food-chain  models are used  to estimate  the  concentration
and total amount  of each RAC  in the  edible  fraction of aquatic  foods
consumed by man.  Estimates  of RAC concentrations  in  water  and  sediment
and other  relevant  physiochemical variables  are  calculated  using  an

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                                  13

aquatic  transport model  (e.g.,  Travis  et  al.  1983).   The  eventual
impact of  ingesting  a particular RAC,  taking  into account the  effects
of any food processing  on  toxicity,  is addressed in the  human  exposure
and human health  risk  components  of  the overall  assessment methodology
(Fig. 1.).
     Some very  similar and  frequently used  terms  are  defined here  to
facilitate  understanding  of the  subsequent  discussion.   Concentration
factor (CF) refers to the ratio between the  concentration  of  a  chemical
in  an  organism  and  in  water.   There  is  no  implication   that   the
concentration in  the organism  is  at  steady  state, though  it  may  be.
All  uptake  pathways  are considered,  as they  are  in  CFs derived  from
field  data.   Bioconcentration  factor  (BCF)  also refers  to  the ratio
between  the  concentration  of a chemical  in  an  organism and in  water.
The concentration in the organism is assumed to  be  at  steady  state,  and
only uptake from  water  is considered.   (This same term is .used  in  some
terrestrial  papers  to  mean the  ratio between  a  concentration  in  an
organism's  fat  and  the  concentration  in  its  diet.)   Biomagnification
factor  (BMF)  is  the  ratio of  the  steady-state  concentration  in  an
organism to the  concentration  in  its food when  food  is the  only route
of  exposure  (i.e.,  when the  concentration  in  water  is  negligible).
Bioaccumulation   factor   (BAF)   is  the   ratio  of  the   steady-state
concentration  in  an  organism  to the  concentration in  water,  if  both
food and water contribute to the organism's exposure.

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                                   14
2.1  MODELS BEST SUITED TO SYNFUELS RISK ANALYSIS
     Estimation  of  the  risk  posed  to  humans  by the  components  of
synfuels released  to natural water  systems  requires estimation  of  the
concentration  of  these  components  in  aquatic  species  consumed  by
humans.  It  was  the opinion of  the human health  risk  analysts  at  the
workshop  that   the   uncertainty  associated  with  the   human   health
dose-response estimates  was  approximately plus  or  minus  two orders  of
magnitude (i.e., given  an accurate estimate of  dose, that the  response
could  be  predicted within a factor  of 100).   It  should  be  noted  that
the  level  of  knowledge  about  the  dose-response  relationship  varies
among RACs; thus,  the level  of  uncertainty  associated with the  response
estimates varies accordingly.  Knowing this  level  of uncertainty  may be
helpful in selecting an appropriate aquatic food-chain  model.
2.1.1  Concentration Factor Model
     The analysis  of chemical  accumulation  in aquatic species has  been
approached from  several  levels of  detail.  The  simplest method  computes
the concentration of a chemical  in a species as  the  product  of  a  CF and
the concentration of dissolved chemical in water.   This method was  used
in  recent  assessments of  synfuels wastes (Moskowitz et  al. 1983)  and
has  been  used  by  the  U.S.  Environmental  Protection Agency (EPA)  in
developing water quality criteria  (EPA  1980) and  by  the U.S.  Nuclear
Regulatory Commission  (NRC)  for radionuclide  assessments  (NRC  1977).
The CF is obtained  from field data,  from  laboratory  testing,  or  from an
empirical   relationship  between  CF  and   the  octanol-water partition
coefficient  (K   ).    For  these  assessments of  synfuels  technologies,  a
              OW

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                                   15
CF  is  needed  that  makes  the  best  prediction  of  the  contaminant
concentration in fish  chronically  exposed under field  conditions.   The
CF should  account  for  all important  routes  of uptake.  A  CF  estimated
from field data  is  preferred  only  if the exposure is  chronic.   If  such
a field CF is not  available, an appropriate  CF must  be estimated.   If
the elimination  rate of  the chemical from  fish is rapid,  (1)  the  food
chain is unlikely to be an important  route of  uptake  and  (2) the BCF is
likely to be a good approximation of  the  CF  (Macek et al.  1979; Thomann
1981; Bruggeman  et  al.  1981; Oliver  and  Niimi  1983).   Chemicals having
rapid  elimination  rates  will  include  those  that  are   not  highly
lipophilic.   [Chemicals,  such as methyl  mercury,  which have a  low  K
                                                                      ow
but   are   accumulated   by   mechanisms    unrelated   to    lipophilic
characteristics must be given separate and special consideration.]
     The experiments and  field  data of Oliver  and Niimi  (1983) suggest
that the BCF  will  approximate the field  CF  for chemicals having a  log
Knul  less   than  about 4.3;  Bruggeman et  al.  (1981)   suggest  that  the
 OW
food  chain will  make  an  important contribution  only  for  chemicals
having log BCF greater than  about  5.   Since  the workshop,  approximately
60  possible   synfuels  chemicals have been  assessed   at  ORNL,   and  the
concentrations  in   fish  appear  to  be  adequately estimated by the  CF
method;  for  these chemicals,   either  a  field  CF   is  available,   the
chemical   is  not   highly  lipophilic,   or  the  chemical   is   rapidly
metabolized by  fish (e.g.,  PAHs,  RAC  15).   Section   2.2 discusses  the
estimation of BCFs  and field  CFs,  and Sect.  2.1.2 discusses models  that
can be  used  when the  food-chain pathway to fish  is   likely to  make an
important contribution to the total contaminant concentration in fish.

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                                   16
2.1.2  Dynamic, Bioenergetlcs-based Models
     Dynamic,   bioenergetics-based   models  consider  the   uptake  and
depuration  dynamics  of one or  more trophic  levels  in the  food  chain.
These models can account for  the  influence of factors  such  as body size
and water temperature  on contaminant  dynamics through  effects on  growth
rate, respiration rate, and consumption  rate.   Detailed  models based on
a  bioenergetics  approach  can   give  good  estimates  of   contaminant
concentration  in fish  (estimated  by the  aquatics  group  to  be within  a
factor  of  three),  given  a good  estimate of  depuration  rates and  the
contaminant  concentrations in  water  and food  (e.g., Weininger  1978;
Thomann  and St. John  1979;  Thomann  1981;  Thomann and  Connolly  1984).
These models  may be required  for the best  estimates  of concentrations
in  fish of  compounds  having very  low   depuration  rates   (e.g.,  PCBs)
because  these  compounds take  a  long time to reach  equilibrium.  Because
such models can account for effects of  fish age,  size,  and  fish  lipid
content, they  can  provide the  high-level resolution  required  for risk
analysis of critical  human populations.
     Bioenergetics-based models have already been  developed  for several
fish  species   and  have been  applied  to  several  specific  situations:
PCBs in  lake trout,  coho  salmon,  and  alewives  in  Lake Michigan;  kepone
in striped bass and croakers  in the James River; methyl  mercury in pike
and roach in Swedish lakes; and PCBs  and  methyl  mercury  in  Ottawa River
yellow  perch   [Connolly and  Tonelli  (in  press);  Fagerstrom  and  Asell
1973; Fagerstrom et al.  1974; Norstrom  et  al.  1976; Weininger  1978;
Thomann  and St.  John  1979;  Thomann and Connolly 1984].  Because  of  the

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                                  17
level  of detail  used  in  these  models,  the resulting  equations  are
complex and  application  to  a specific food chain requires  knowledge  of
many  parameters,  some  of  which  are  hard  to  obtain and/or  are  site
specific.   However,  once  the  biological  data  are  accumulated  for  a
particular  species  and  location,  it  is  relatively  easy  to apply  the
model  to  additional  chemical  contaminants  having  similar  properties.
These  models  can  give detailed,  time-varying estimates of  contaminant
concentration  in  fish  of  several  ages.    The  risk  analyst  should
consider the following criteria in deciding whether or not  to  use these
detailed models:
     1.   chemicals  of  interest  should  have low  depuration  and
          biotransformation  rates  [i.e.,  long  times  to  reach
          steady state  (Thomann 1981)] such  that the steady-state
          assumption of certain simpler models is violated;
     2.   a model and  paramter,  or the resources to  develop them,
          should  be  available  for  the  chemical,  species,   and
          location of interest; and
     3.   the  level  of  accuracy  or  detail  that  these models  can
          provide should be worth the increased effort required.
Considering  these  criteria,  it appears  that the  detailed models  are
currently inappropriate for synfuels risk analysis.
     One  of  the  possible  shortcomings  of   BCF  models  is  that  the
potential  contribution  of  the food  chain  to  bioaccumulation may  be
ignored.  A relatively simple  model that  includes the food  chain  can be
constructed based on the following assumptions:

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                                   18
     1.   the food chain is linear,
     2.   each trophic  level  is represented by  fixed  bioenergetic
          parameters,
     3.   the concentration  of chemical  in  the food  chain  is  in
          dynamic  equilibrium  with the  concentration  of  chemical
          in water, and
     4.   the rate  of direct uptake  from  water is  independent  of
          trophic  level  (it  may be easy  to  relax this  assumption
          by accounting for body size).
     The resulting model may be termed a  bioenergetic-based equilibrium
food-chain  model  or  an   "equilibrium food-chain  model."   The  model
presented by  Thomann (1981)  did not  assume  a constant  BCF.   Bruggeman
et al.  (1981) independently derived a similar  model.   The  Thomann model
calculates  the  steady-state BAF  for   the  n    trophic  level   (BAF )  in
a  linear food  chain.   The  "food-chain  transfer  number"  f   (Thomann
1981) or  "biomagnification factor" (Bruggeman et  al.  1981)  depends  on
the assimilation efficiency of  ingested chemical,  the  consumption rate,
the contaminant  elimination  rate,  and the growth  rate of  organisms  in
trophic  level  n  (Thomann  1981).   The  model  is  highly  sensitive  to
elimination rate.   Errors  in its  estimation  will  produce  rather  large
errors in BAF .
     To  simplify further  it  may  be inferred  from  Bruggeman  et  al.
(1981)  that  the  food-chain  transfer  number  f    is  (approximately)
directly  proportional  to  the  bioconcentration  factor  (i.e.,  f   will
be on  the  order  of  10    to  10    times   BCF  ).   As  Bruggeman  et  al.

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                                  19

(1981) point out, this suggests that chemicals  in the food will  make  an
important  contribution  to  the  concentration  in  an organism  only for
chemicals  with  a  BCF   of  10  or  greater.   This  result is  shown  in
Fig.  2,  where  the  additional  assumption  has   been   made  that the
food-chain  transfer  numbers  (f )  and  the  BCF from water  (BCF  ) are
the same  for  all  trophic levels.   In this  figure,  the  log  BCFi vs log
K   relation  is taken from Oliver and  Niimi   (1983),  who corroborated
 uw
their  laboratory measurements  of  BCF  with  field  data  on  fish/water
contaminant ratios  in  Lake  Ontario  rainbow trout.  This figure  shows
the  importance  of  considering the  food-chain  pathway  to  fish for
chemicals  with  very  low  elimination  rates  (i.e.,  chemicals  having very
high BCFs).
     The  accuracy  of the equilibrium food-chain  model  is dependent  on
the  validity   of  the   four  assumptions   indicated  earlier   and the
uncertainty  associated  with  the  input  parameters.    The  amount  of
reduction   in   uncertainty   resulting  from the  increase   in  process
specification in this model,  relative to  the simple water BCF  approach,
is unknown  and  remains to be quantified.
     A  major  assumption  of this model  is  that  equilibrium  or  steady
state  is  closely approached.  Work in progress by Breck  (ORNL) suggests
that  chemicals  for  which  the food-chain  pathway  is  a  dominant  uptake
route  are  likely  to  have  very  low  depuration  rates   (and  high K
                                                                      UW
values),  so  that  a  fish  may  not  reach  a  steady  state  within  its
lifetime.   The simple   equilibrium   models  of   Thomann   (1981) and
Bruggeman  et  al.   (1981)  are easily  modified  to  account  for  this
deviation  from  steady state without greatly  increasing  model  complexity.

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                                   20
UJ
UJ
_l
o
I
Q.
O
o:
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2
DC
o
10

 9

 8

 7

 6

 5
                                              ORNL- DWG 83-12539
8  °
8  -i
   -2
                                           1
                         345
                            LOG  KOW
                                                                8
Fig. 2.  bioaccumulation  factor  (BAF)   vs   octanol-water
         coefficient  (Kow)  for  different  trophic  levels
         food  chain.   The   line   for   n   =  1   reflects
         bioconcentration from  water  only,  as measured  a
         experiment  (Oliver   and  Niimi  1983).    The  line
         includes   contaminant   uptake   from  water   plus
         transfer from  trophic  level  1.  The  line  for n  :
         direct uptake from water plus food-chain transfer
         levels 1 and 2.  Lines for trophic levels 4 and 5
         similarly.
                                                        partitioning
                                                        in  a  linear
                                                         contaminant
                                                        low-exposure
                                                        for  n  =  2
                                                          food-chain
                                                        = 3  includes
                                                        from  trophic
                                                        are  computed

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                                  21
     For  the 60  or  more  synfuels  chemicals  considered thus  far  in
synfuels  assessments at  ORNL,  concentrations  in  fish  appear  to  be
adequately estimated  by  a simple CF model  (see  Sect.  2.1.1).   However,
if chemicals are encountered that do not  fit  the requirements  of  the  CF
model  (e.g.,  chemicals  for which there  are  no  field  estimates of  CFs
and for  which depuration and  biotransformation  rates  are very low  and
values  for  K   very high,  suggesting  that  the  food  chain  is  the
              uw
dominant  uptake pathway), then  a  dynamic  bioenergetic  model  would  be
appropriate.  The  scientists  at the  workshop believed  that  if use  of
this type of model were necessary, then data  currently available  in  the
literature could be used.
2.1.3  Comments For All  Models
     Concentration factors  for aquatic organisms can  vary among  taxa,
trophic  levels, and  sizes of  individuals.   If aquatic  foods  represent a
major  source of exposure  or risk for a particular  chemical  (or  group),
as  determined  by  preliminary  analyses,   such  differences  should  be
accounted for in synfuels risk  analyses.   For example, some  crustaceans
and molluscs  lack  the ability of fish  to rapidly metabolize  PAHs  (RAC
15),  so  that BCFs are higher  for  certain  of these organisms than  for
fish  (Maiins  et al.  1979;  Southworth et al.  1980;  Farrington et  al.
1983).   Differences  among taxa  in  growth  rate  and trophic  level  also
contribute  to variations in  CFs (Thomann  1981).   Larger body size  is
correlated  with a lower  elimination  rate; this has   been observed  for
methyl  mercury  in  fish  (Norstrom   et   al.   1976),   and  for  PCBs  in
macrozooplankton  and  phytoplankton   (Brown   et al.   1982).    Because

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                                   22
elimination rate influences the  CF,  and  most  laboratory measurements  of
BCF have been  made on much smaller  sizes  of  fish than  those  typically
consumed by humans, it would be  useful to  know  the contribution of body
size  to  increased  uncertainty  in  estimated  CF.   A  literature  survey
should be  done to  quantify the  uncertainty  in  CF  (or BCF)  resulting
from variations among taxa, trophic levels, and sizes of individuals.
     If  justified   by the  results  of  such  a  literature  survey,  the
aquatic food of humans could be categorized as follows:
     Level  1,  a phylogenetic classification.    Data  on the harvest  and
consumption of aquatic foods from commercial  and  sport fisheries  and
aquaculture would  be directly  or indirectly  available  on a  taxonomic
basis.  Species specification would allow  determination of the feeding
habit  class (Level 2)  and the  parameter  values (e.g., lipid  content)
required  for  estimating  the  CFs.   The  important taxa  in the  aquatic
food   chain    are    (1)  Pisces,    (2) Mollusca,    (3) Crustacea,    and
(4) Aves/Anseriformes.
     Level   2,  feeding    habit    (or   some   trophic-level    scheme).
Recognizing that combinations  are the rule rather than the  exception,
these     might     include     (1) detritivore,     (2) phytoplanktivore,
(3) zooplanktivore,    (4) macroherbivore,     (5)  benthic    invertebrate
feeder, and  (6) piscivore.   Other distinctions  may be  necessary  (e.g.,
feeding on  aquatic  benthic  invertebrates vs feeding  on invertebrates  of
terrestrial origin).  Not  all feeding habit classes  will be represented
in a given phylogenetic group.

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                                  23
     Other   possible,   important   classifications  would   distinguish
between  freshwater,  saltwater,  and  estuarine   species   and   between
flowing- and standing-water species or populations.
     The method  of classification  described  here is  general,  possibly
exceeding  the  needs  of  an  assessment  program.   IF  a  preliminary
analysis using the simplest  approach showed that  greater  resolution  is
required for  particular  chemicals in aquatic foods, then,  depending  on
the results  of  a literature  survey, the method  could  be expanded  to  a
more complex form.
     A workshop  participant  suggested  that a data book  documenting the
derivation of CFs  should  be  kept.  This would include  sections  on  each
substance/RAC,   including  pertinent  math,  biology,   and  chemistry,
computations  performed;  a qualitative  review of uncertainty,   both  at
individual compound and RAC  levels;  and,  if possible,  quantification  of
uncertainty  via confidence  intervals  and/or  probability  distribution
functions  (PDFs)  for  possible use in stochastic  assessment models.  It
is recognized that these  intervals or  PDFs will  vary  according  to the
question   addressed   by   the  model;   larger  uncertainties  will  be
associated with  initial group  assessments  than with  assessments  of  risk
to large populations.
     As  discussed in  the Introduction,  the overall  purposes   of  this
risk assessment  methodology  are  to  identify chemical  groups (RACs)  that
could  pose  human  health  problems  and  compare  the   health  risks  of
alternative  synfuels  technologies.   Therefore,  it  is suggested  that
calculations  of  food-chain   exposure  to  each  RAC  use  values  for  a

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                                   24
typical  chemical  or  a  value  obtained  by  averaging  across  several
chemicals  in  the  RAC,  noting  and  carrying  through  the  variance  or
variability  in  output;  an  alternative  method  would  be  to  do  the
calculations  for several  representative  chemicals  within  each RAC  to
account for  the  variability among chemicals within  a  RAC.   The purpose
here is not  regulatory screening (i.e., regulatory  action would  not  be
initiated  or   recommended   if   conservative   screening  levels   were
exceeded).   For  the  regulatory  screening  case,  upper-bound  estimates
would  be  more  appropriate  than average  or  typical  values  for  CFs.
Depending upon the  goals of  a  particular  risk  assessment,  different
methods might be useu  to  select  parameter values  and to account for the
variability among chemicals.
     For  the purposes  of the EPA  synfuel  assessment,  then,   at  least
best guess  estimates  of  uncertainty  are needed  although ideally  PDFs
would  be  available  for  all  substances  and  aquatic  food  types.   The
workshop  aquatic food-chain group did  not,  however, reach a  consensus
on this point.   The  following two paragraphs represent  a  strongly  felt
minority opinion.
     Currently, uncertainties  in 95% upper-bound  risk  estimates warrant
only an  order-of-magnitude  accuracy  for estimates  of  BAFs.   However,
even when ranges  are specified for  BAF values,  their derivation  has
been usually associated  with conservative bias.  Therefore, because  of
limitations  in  available  data,  current  models  are  not  capable  of
producing  a   best-estimate   value   or  of  values.   Thus,   the   most
appropriate use of BAF values to date is in screening calculations.

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                                  25
     In all  cases,  however, it  is  desirable to  preserve  the range  or
distribution of  uncertainty of  BAFs  with stochastic  modeling.   It  is
not appropriate to use single values  in  deterministic  models  unless  the
approach  is  known  to  be  sufficiently  conservative  for   screening
calculations.  Deterministic  calculations based  on indiscriminate  use
of geometric means may be particularly misleading.
     In view of  the  location  of possible synfuel  plants,  specification
of  the following variables/parameters  for freshwater  fishes have  the
highest priority:  CF (else BCF) by RAC,  a factor to  convert  whole-body
concentration  to  concentration  in  the  edible  portion  of  the  aquatic
food,  and  a factor to account  for changes in  concentrations resulting
from food processing and cooking.  A  survey of  the literature should be
done  to  quantify the  uncertainty,  in  CF   (else BCF)  resulting  from
variations  among  taxa,  trophic  levels,  and  sizes  of individuals.   To
estimate the mass of each  RAC  in aquatic foods ingested by humans,  the
following  information  is   needed  as  well  to  complete  the  exposure
assessment:  the mass of each  aquatic food type  taken from each  stream
reach  or water body,  the fraction that  goes  to  human consumption,  the
edible  fraction,  and  the  number of people eating food of each  subtype
from each stream reach/water body.

2.2  DATA SOURCES AND PARAMETER ESTIMATION METHODS
     When a CF method is to be  used in  risk  analysis  as  suggested here,
the best way to  estimate the factor  is  to use field data on  the ratio
of  the concentration of  contaminant   in  fish  to the concentration  of

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                                   26
contaminant  in  water.   This approach  has  been found  to be useful  for
estimating BAFs  for  radionuclides  in  freshwater  biota  (Vanderploeg  et
al.  1975).   Data on the  concentration in  fish categorized  by species,
lipid level, and weight and age will be  needed for  later,  more detailed
risk analyses.
     Field data should be included in risk  assessment only if:
     1.   the concentration of a chemical  in aqueous  solution  is
          measured,
     2.   the  concentration in  fish  is  measured   (may  be  whole
          organism or a portion),  and
     3.   the exposure concentration is  reasonably  constant  for  an
          adequate period  of  time (i.e.,  the  rate  of  approach  to
          steady-state CF is chemical-dependent) —  not the  result
          of  a  local  spill  or   other  temporary  or  localized
          condition.
Tnis approach  to the  estimation  of concentration  ratios includes  all
pathways  of  exposure  for  aquatic  organisms  under  the most  realistic
conditions.   Unfortunately,  such  measurements are not  available  for
many of  the  synfuels  organics.   Data from  acute  field exposures  are
also  valuable   but   need   to   be  analyzed  carefully  to  yield  CFs
appropriate for the risk analyses  of chronic exposures discussed  here.
     As previously mentioned (Sect.  2.1.1),  if an  appropriate field  CF
is not available, then  an  appropriate  CF must be estimated.   If either
the  elimination  rate or the rate  of biotransformation of the chemical
is  rapid,  the  BCF  is  likely to  be  a  good  approximation  of  the  CF

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                                  27

(Thomann 1981; Bruggeman et  al.  1981),  and estimates are needed  of  the
BCF of the  chemical.   This is likely to be  the  case for most  synfuels
chemicals,  according  to  recent  assessments  of  synfuels  chemicals  at
ORNL  (Breck,  in  preparation).   If both  the elimination  rate and  the
rate of  biotransformation  are very low,  the food-chain uptake  pathway
may contribute  significantly to  the  chemical's  concentration  in  fish,
and additional  information will  be  needed  to  estimate an  appropriate
CF, as discussed in the following.
     The  laboratory  and field data of  Oliver and Niimi  (1983)  suggest
that the  steady-state  BCF measured  in the  laboratory will  be  a  good
approximation of  the  field CF for chemicals  having  a log K    of about
                                                            ow
4.3 or less.  (It  should be  noted that the Oliver and  Niimi  values  for
BCF  were higher   than  thse  measured  by  some  other workers,  perhaps
because Oliver and Niimi  used the large-size fish or  very  low exposure
concentrations.)   Bruggeman  et al. (1981)  suggest that the  food-chain
uptake pathway  is probably  not  significant  for  chemicals having  a  log
BCF of less than about  5.
     A measured BCF  is generally preferred over  an  estimated BCF.   The
fish/water  concentration ratio should  be  measured very close to  steady
state  or  the  steady-state   fish/water  ratio   (i.e.,  BCF)  should  be
estimated from  the ratio of uptake rate to  elimination rate  (including
the  biotransformation  rate).   The  results  of  Kosian et   al.  (1981)
suggest  that  the  BCF  is  appreciably   influenced   by the  method  of
calculation  of  BCF from laboratory measurements.  The ratio of  uptake
rate  to  elimination  rate  seems to be  more  appropriate  for  estimating

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                                   28
the BCF  of very lipophilic  chemicals  than are the  28-d values of  the
fish/water concentration ratio.
     If field  or  laboratory CFs are not  available for  the  compound  of
interest, BCFs should be estimated  from regression models  developed  for
homologous  chemicals  (these  will  often  be  members of  the same  RAC).
For example, separate  regression  models  for PAHs,  chlorinated  benzenes
(Oliver  and  Niimi  1983), and  phenols  (Saarikoski  and Viluksela  1982),
could  be used.   Estimates   from  other  homologs   should be  especially
useful  for cases  like  the  PAHs,  in  which  BCFs   are   relatively  low,
despite  high  log K  s,  as  a  result of  metabolism  of  the compound  by
                   OW
fish.   If  data on homologs  are not sufficient to  estimate a  BCF,  BCF
should  be  estimated  from  the octanol-water  partition  coefficient  by
using  regression  models based on  a  wide variety of  chemicals  (e.g.,
Trabalka and Garten 1982; Veith et al.  1980).
     Chemicals that ionize  to  a significant  extent at field pHs have  a
reduced potential for  accumulation,  as Saarikoski  and Viluksela  (1982)
found  for  certain  substituted  phenols.   For   such   chemicals,   the
reduction  in  BCF  resulting   from  ionization  at   a given  pH  can  be
estimated  if  the  dissociation  constant   is  known   (Saarikoski   and
Viluksela 1981; Goldstein et al. 1974).
     BCF  data  for  fat-soluble  RACs  should  be   accompanied  by  lipid
content information so that the BCF values can  be  expressed on  either  a
whole-body  or  lipid-weight  basis,  as  necessary.   BCFs  represented  on
the  basis  of  lipid   content  can  be  easily   converted  to  either
edible-portion  or whole-weight basis  using  reasonable  estimates  of

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                                  29
lipid content in tissues.  For example,  if  the BCF on a  lipid  basis  is
10,000, whole fish  are 3% lipid,  and the edible  portion is 5%  lipid,
then the  BCF  in  whole fish would be  300 and the BCF in  edible portion
would be 500.  General estimates of the  percentage  of  lipid  content  are
available for many commercial species  (Sidwell  et  al.  1974;  Kinsella  et
al. 1977; Rottiers and Tucker 1982).   The workshop  group  felt that  such
estimates are generally useful for a risk assessment.
     In  the  event that  a linear  food-chain  model  is required  (Sect.
2.1.2),  values  for  the  BCF,  elimination   rate,   consumption  rate,
assimilation efficiency of ingested  chemical,  and growth rate  would  be
required for each trophic level.  The  BCF and .the  excretion  rate  can  be
determined  from  laboratory  experiments  or  estimated   from   the   K
                                                                      ow
(e.g.,  Oliver  and Niimi  1983;  Spacie and  Hamelink 1982; Trabalka  and
Garten  1982; Mackay  1982;  Veith et al.  1980;  Kenaga and Goring  1980).
Growth  rate  can  be  obtained  from the literature  or  may be estimated
from  general  functions relating  these  parameters  to the 'size of  the
organism.  Assimilation efficiency of  the chemical  can be obtained  from
laboratory  experiments  or   estimated  from  the  K     (see   Schanker
                                                     OW
1960).  Consumption  rate, which  varies with body size, can  be  obtained
from  the literature  or  estimated  from  the  growth  rate,   respiration
rate,  and food  assimilation  efficiency  (Norstrom  et al. 1976;  Thomann
1981).
     Models  having   two  body  compartments  for  the  organism  are  not
necessary  if the bioaccumulation  ratio  is  derived from  a  log  K
                                                                      (J W
correlation, chronic  laboratory exposure, or field  data.  However,  they

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                                   30
may be considered  if the  food-chain  model  is  developed from uptake- and
elimination-rate  constants  measured  in  the  laboratory  (Ellgehausen
et al.  1980).    In  some  cases,  the  elimination-rate  constant  can  be
overestimated  by  making   observations   only  during  the  beginning  of
depuration.  Elimination  of  organics  is  often  made  up  of  "fast"  and
"slow" phases.    If  the  initial  slope of a biphasic  depuration curve  is
used  as   an  estimate  of   the   elimination-rate   constant,   then   the
half-life of the chemical  will be underestimated and the calculation:

                uptake rate
              = elimination rate                                 (2.1)

will produce an underestimation of BCF.

2.3  MAJOR LIMITATIONS ON EXISTING DATA AND METHODS
     Concentration factors  measured  from chronic field  exposures  would
provide the most  appropriate  values  for use in  synfuels  risk  analyses,
given the conditions  listed in  Sect.  2.2.   Such  field  exposures  include
several uptake  pathways  and more  realistic conditions  than  laboratory
exposures.  Measurements  of  CFs  observed  in  the field  are  valuable
sources of  information about  the behavior of  organic  chemicals,  and
such measurements  provide  a  way  to  calibrate  and  verify the  models.
However,  it  should be understood  that  the results  will  probably  vary
from one  ecosystem to  another  because  of factors  such  as  food-chain
length, bioavailability  of the  chemical,  and  species  characteristics.
Compilation of  results from different systems  will allow  the  magnitude
of this variation to be estimated.

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                                  31
     If Thomann's (1981) equilibrium food-chain model  (see  Sect.  2.1.3)
is used to  calculate the CF, estimates will  be  needed of the  BCF  from
water only.  Several  limitations exist  on  the use of structure-activity
relationships  (SARs)  to estimate BCF.   First, an  appropriate  equation
must be used (Trabalka  and Garten 1982; Oliver and  Niimi  1983;  Veith et
a.l. 1980),  as  discussed in Sect. 2.2.   Second,  for benthic  species,  a
concentration  ratio  relative  to  the  concentration  of  chemical  in
sediment may  be more  appropriate  than a  ratio   relative  to the  water
concentration.  Third,  it must  be  recognized that there  is  generally
uncertainty  associated  with  the  value  of  the  K   (the  independent
                                                    ow
variable  in  the  regression)  as  well  as  error  associated  with  the
dependent variable  (here,  BCF) in  the  regression  (Trabalka  and  Garten
1982; Veith et al. 1980).
     The  regressions  relating  BCF  and  K    that   are  currently  used
                                           OW
were developed  mainly for  organo-chlorines and other  organics  that are
poorly metabolized by fish.   To a close approximation, these chemicals
remain unchanged throughout the partitioning  process and  throughout the
food  chain.  These  regressions  work  rather well  for such  materials.
However, many of the  organics  associated with synfuels (e.g., PAHs) are
known   to  undergo   biotransformation   in   some   aquatic   organisms
(Southworth et al. 1980; Spacie et  al.  1983). Usually, but not always,
the metabolites  formed  are  more  polar and are, therefore,  eliminated
more quickly from the body.   In effect, the organism has  the ability to
lower  the  partition  coefficient   of  the   parent  material.   Thus,
estimates based  on the log  K   of the original  chemical   may produce
                              OW

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                                   32

overestimates   (conservative   estimates)   of   BCF   and   food-chain
transport.  Enzyme induction may also lower BCF.
     It  would  be  extremely  useful  to  collect  information  to  group
aquatic  organisms  on  the basis  of their  biotransformation  abilities.
For  example,  fish  and chironomid  midges  readily  metabolize  many  PAH
compounds,   whereas   bivalves   and   Daphnia   are   poor   hydrocarbon
converters.   Categorization  of  this type would  dramatically  facilitate
our  estimates of  BCF  and  food-chain  transfer  for synfuel  chemicals.
Currently,  no good  structure-activity  models  exist  for predicting  in
advance  which taxa  will  or will  not metabolize  a particular  organic
compound.
     A fourth  limitation  on the use of  SARs  to estimate  BCFs  concerns
the  variaole(s) used  to  quantify a  chemical's  structure.   The  most
commonly  used  regressions  predict  BCF  from  K  .    As  others  have
                                                  ow
pointed  out  (e.g.,  Trabalka  and  Garten  1982),  such  relations  will
underestimate   the   bioconcentration   of   chemicals   such  as   methyl
mercury.  This  is because  methyl mercury  bioaccumulation  is not  related
to  lipid partitioning,  but to bonding  with  the  sulfhydryl  groups  of
certain   proteins    (Reichert   and   Mai ins  1974).    Therefore,   its
bioaccumulation would  not  be   expected  to correlate  with  a  variable
(K  )  related  to  lipid  partitioning.    Fortunately,   however,  there
  OW
appears  to  be only a very small portion  of chemicals  that behave  like
methyl  mercury.
     A final  limitation  on the use of  regressions to  estimate  BCFs  is
the relatively  large degree of  uncertainty  about the predicted  values.

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                                  33
Regression equations developed for a homologous  group  of  chemicals  will
have  a  smaller  range  of  uncertainty  about the  predicted values  than
will regressions developed  from  a wide variety of  chemicals.   Trabalka
and  Garten  (1982)   compiled  bioconcentration  information  on  more  than
100  chemicals.   In  their  regression  of  log  BCF  vs  log  K   "the  95%
                                                            ow
confidence limits  about  the  predicted  value at  the mean  log [K  ]  are
                                                                OW
greater than  +2 orders  of magnitude."  They  note, however,  that  "the
bulk of the extreme data scatter  occurs  below  the regression  line...and
overpredictions by the model are more acceptable than underpredictions."
     A  limitation  of the  structure  of the  models  (presented in  Sect.
2.1)  is  that they  are  based on  the concentration  of the chemical  in
water.  Situations in which  the  concentration of  sediment-associated
chemical  is  important (e.g., through  a benthic  component of the  food
chain)  may  require  that  this  benthic  component  be  separated   and
referenced to  the   sediment  rather  than to  the water  column.   Factors
such  as  adsorption to dissolved  organic  matter (e.g., humic acid)  may
also reduce the  concentration available  in  water  and,  therefore,  reduce
the  amount  of  chemical   absorbed  by  the organism.   Such  factors  should
be accounted for by the aquatic  transport model.

2.4  CONCLUSIONS
     The  aquatic  food-chain  group  at  the workshop   agreed  that  for
chronic  low-level   releases  of  synfuels effluents,  the  concentration
factor  approach   is  relevant  and  appropriate  for  assessing  risks.
Application  of  field   data based   on  the   ratio  of   a  chemical's

-------
                                  34
concentration in fish to the  concentration  in water is the best  way  to
estimate  the  CF.    If   field  data  are  not   available,   laboratory
measurements of BCFs  should  be used.  If no  measured  BCF  is  available,
then the  factor  can be estimated  using  regressions of  log  BCF  vs  log
Kow'
     The data of Oliver and  Niimi  (1983)  suggest  that  simple  BCF  models
adequately  predict  the  concentration  in  fish of  chemicals  with  a  log
K   of  about 4.3  or  less.   The  great majority  of synfuels  chemicals
 ow
fall in  this category.   Those  synfuels  chemicals that  have  a log  K
                                                                      OW
greater than  about  4.3  are  typically  metabolized rapidly (e.g.,  PAHs,
RAC 15),  consequently,  they  are  not accumulated  significantly through
food chains and are  adequately described  by a  BCF  model.   Chemicals
having  low  depuration and biotransformation  rates  are candidates  for
significant  uptake  via  the  food  chain,  making  models that  explicitly
account for food-chain  uptake  applicable.   No such synfuels  chemicals
have yet been identified,  except for those  for which field estimates  of
CFs are already available  (i.e., mercury,  RAC 32).
     Although  information  is  currently  available  on the  uncertainty
associated  with  regression models  (i.e., log BCF vs  log  K   ), further
                                                           OW
research is  needed  to quantify (1) the level  of  uncertainty  associated
with CFs  estimated  from field  data  and  (2) the differences  among  taxa
and among trophic levels.

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                                  35
                   3.  TERRESTRIAL FOOD-CHAIN MODELS

3.1  MODELS BEST SUITED TO SYNFUELS RISK ANALYSIS
     The appropriateness of a terrestrial food-chain model  for  synfuels
risk assessment  may be judged  by its usefulness  to  the risk  analyst,
who must not only  perform  the initial risk estimates but also  identify
critical  pathways,  uncertainties,   and  research  needs.    The   model
currently used at ORNL for terrestrial food-chain  exposure  calculations
is  based on  a  modification  of  the  traditional  multiplicative  chain
approach used  by the NRC  in  making radionuclide dose  assessments  (NRC
1977; Travis et  al.  1983).  The computer  code incorporating this  model,
TERREX (Baes et  al.  in preparation),  is a modified  version  of the TERRA
computer  code for   radionuclide  transport  (Baes   et   al.  1983).   The
various pathways adoressed in the TERREX  code  are  shown in  Fig.  3.   The
breakdown  and  interrelationships among these pathways   are  based on  a
review  and  analysis of agricultural  practice  in the United  States,  by
Shor et al. (1982).
     The terrestrial food-chain  transport model  includes produce, milk,
and beef pathways  to humans.    Input  into the terrestrial model  is  via
atmospheric   dispersion   and   deposition.     Plant  compartments   are
contaminated  via  root  uptake  of  material  that  has  deposited  and
accumulated  in  soil and  via  direct  contamination  of  foliar surfaces.
The root uptake  component  of  plant contamination  is  calculated  through
the use  of  soil/plant  CFs that  are  specific  for either  leafy  (B.  )  or
reproductive/storage (Bir)  organs of the plant.   These CFs  relate  the
dry weight concentration of compound  i  in the edible plant  part  to  its

-------
                                                                                                  ORNL-DWG 83-12989
                           CONCEPTUAL GENERIC TERRESTRIAL FOODCHAIN
Air
    —'/»—
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r




LEAFY »
VEGETABLES '^ "^

I 1
I* 1


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Ir
NON-IRRIGATED SOIL
f





PROTECTED
PRODUCE



,
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i •


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-'«-•
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MILK.






-*"1

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GRAIN



















..

A r
MAN
                          "EXPOSED-
                          PRODUCE
                       IRRIGATED SOIL
                                                -A.,-
       KEY
INTERCEPTION FRACTION
ATMOSPHERIC LOSS
SOIL LOSS
BIOACCUMULATION 'VEGETATIVE-
BIOACCUMULATION -REPRODUCTIVE'
INGESnON-TO-MILK
INGESTION-TO-BEEF
                                                                                                                         Co
                                                                                                                         O!
               Figure 3.  Pathways addressed in the terrestrial  food-chain computer code TERREX.

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                                  37
dry weight  concentration  in root zone  soil  (assumed to  be  to a  15-cm
depth).  Meat-  and  milk-producing cattle are  assumed  to feed on  grain
and  locally-contaminated  forage.  The  grain  may  be  grown  locally  or
imported from offsite,  depending on  sizes of  local  livestock  herds  and
grain   production   within   the  assessment   area.    Beef   and   milk
concentrations  are  calculated  via beef  and  milk transfer  coefficients
(Ff   and   F ,   respectively),   which   relate  daily   intake   of   the
contaminant  to  equilibrium  concentrations  in  the  food   products.   The
derivation   of   the  soil/plant  CFs   and   beef   and   milk   transfer
coefficients relies  heavily on  structure/activity relationships  (based
on  log K   )  reported  in  the  literature  (Briggs   1981; Kenaga  1980;
         ow
Baes  1982).
      The terrestrial transport model is  coupled with a data  base  (SITE)
of   default  location-specific   parameters    describing   agricultural,
meteorological,  and  land-use   characteristics  for   each   cell   of  a
rectangular  grid  superimposed  on the  conterminous  United States.   The
dimension of each  grid  cell is  0.5°x  0.5°  latitude-longitude; and  for
each  cell,   36  parameters  are  defined   (Table  2).    In  performing  an
assessment  of   a  synfuels  plant,  the  assessment  grid  defined  by  the
atmospheric  dispersion  model  (for distances less than  50  km, this  is
usually  a  polar  grid)   is  superimposed  on  the  data   base  grid  and
parameters  are  recalculated  to the  assessment  grid.    This  process
allows  the  assessment  model to  reflect,  in  a general way, the  actual
agricultural practices  and characteristics  of the  area  being  modeled.
The  details of  the data  base  and the sources of the parameter  values
within  it are described by Baes et al.  (1984b).

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                                         38
Table 2.  Variable names and descriptions of parameters  in  the  SITE*  data base.
Variable name
CELLON

CELLAT

ET
IRRI
PRECIP
YEV
AYBF
YLV
YSF
AREAP
NUrtCC
SALFC
NUMMC
NUMSHP
PGF
PHF
P3F
HUM ID
ARE AT
POP
FRUIMF

FRUFM

FURbN
PLV
PEV
PPV
PGH
MWIXHT
AMIXHT
YPV
YGF
YGH
FFDAYS
NUMBC
Units
°W

°N

mrn/y
mm/y
mm/y
kg(fresh)/m2
kgtdryj/y/m2
kg(fresh)/m2
kg(dry)/m2
rnZ
head
heaa/y
head
head
kg
kg
kg 3

m2
number
unitless

unitless

unitless
kg
Kg
kg
kg
m
m
kg(fresh)/m2
kg(fresh)/m2
kg(dry)/m2
number
head
Description
longitude of the southeast corner of the SITE
data cell
latitude of the southeast corner of the SITE
data cell
evapotranspiration
irrigation
precipitation
yield of exposed produce
areal yield of hay feed
yield of leafy vegetables
yield of (corn and sorghum) silage feed
total area of pasture
cattle and calf inventory
number of cattle on feed sold
number of milk cows
number of sheep
production of grain for feed
production of hay feed
production of (corn and sorghum) silage feed
average annual absolute humidity
total area of cell
population of cell based on 1980 census
fraction of 1980 population classed as rural
non-farm
fraction of 1980 population classed as rural
farm
fraction of 1980 population classed as urban
production of leafy vegetables
production of exposed produce
production of protected produce
production of grain for human consumption
morning mixing height
after noon mixing height
yield of protected produce
yield of grain food
yield of grain feed
number of frost-free days in a year
number of beef cattle

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Table 2.  Continued.
                                         39
Variable name    Units
                      Description
CFLAli
number
UOMLF
number
the caution flag:  1  means cell  on atlantic
  coast.  2 means  cell  on Mexican border.   3
  means 1  and  2.  4  means cell  has  interior
  body of water.  5 means  1  and 4.   6  means  2
  and 4.  8 means  cell  on pacific coast.   12
  means 4  and  8.  16 means  cell  on  Canadian
  border.   20 means 4 and  16.   21 means  1  and
  4  and  16.   24 means  8  and  16.   32  means
  cell has  desert or  barren land.   Finally,
  36 means 4  and 32.
A five digit  number of the form FLPPP is
  printed out.   F =  1  if the cell   is  more
  than 50% federal  land,   i.e.,  land  type  is
  undefined.   F  =  0  if less  than 50% of  the
  cell is federal land.  L =  1  means tall  row
  crops.  L = 2  means short  row crops.   L  =  3
  means has or tall grass.   L = 4 means  urban
  area.   L  =  5 means  small  lakes.   L  =  6
  means  short  grass.   L   =   7  means  forest.
  Finally,  PPP   =   the  percentage   of   the
  dominant land  type (may be 0  if  the  SITE
  cell is 100% federal land).
*baes et a I., 1984.

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                                  40
     Although the  food-chain  model  represented by Fig. 3  appears  to be
more complex than  the aquatic food-chain  model,  both are based on  the
use  of  BCFs to  calculate  accumulation  in  various   food-chain  trophic
levels.  The apparent complexity of  the  terrestrial  model  arises  from
the necessity of considering  the  many varied components  of agricultural
food chains (e.g., produce  exposed  to and  produce protected  from direct
contamination  of  edible  parts  and  management  practices   for  milk,
feedlot, and other cattle).  From the standpoint of  the  uncertainty in
model predictions, the participants  at the workshop  felt  that increased
complexity  did  not   improve  the  model's  accuracy   as  compared  to  a
simpler model.  However, those workshop participants  who  have performed
risk  calculations  felt   that  a  simpler   approach  would  not  provide
sufficient  detail  in  addressing  the  complex differences,  identifying
important exposure pathways,  and  highlighting  research  needs.  Workshop
attendees  involved in work  in  which model  input parameter  values  are
experimentally  determined  argued  that  the  model   is  too  simple  to
address real-world transport  processes  and provides   little  guidance in
their  work.   However,  they  agreed  that,  within the context  of  the
overall  assessment  procedure,  the   model   is  a  reasonable  approach,
provided  there  is an  ongoing  dialogue  between  the modeler  and  the
experimentalist.   This  latter point  will  be  addressed subsequently in
Sect. 3.2.
     Because of  the  limited data  base  on  terrestrial  transport  and
behavior of synfuels  effluents, many  potentially  important pathways  are
not  included   in  the  terrestrial  food-chain  model.   Recognizing  the

-------
                                  41
difficulty in quantifying many of  these  transport  process,  the  workshop
attendees,  nevertheless,   identified  several  potentially   important
issues  that  should  be  considered  at  some  point  in  the  modeling
process.  These  issues  include foliar  adsorption  and translocation  to
edible  produce  parts;  the  effects  of  food  processing  (especially
cooking)  on  human  exposures;  the  prediction   of   soil   degradation
kinetics based on structure/activity  relationships; the  contribution  of
animal  products  other  than beef  and milk  (e.g.,  eggs,  chicken,  and
pork);  differences  in  transfer coefficients  as a  result of  livestock
management  practice;  ingestion  of water  and  soil   by  livestock;  and
irrigation water as  a  source term  to the terrestrial food chain.   The
attendees ranked  the first  three  issues as  being more  important  than
the latter four.  Each of these issues is discussed in Sect. 3.3.

3.2  DATA SOURCES AND PARAMETER ESTIMATION METHODS
     Early  in the  workshop, the methods for estimating  model  parameter
values  and the available data  sources were  discussed.  The agricultural
production  and  practice parameters  in  the SITE  data base are  derived
from  a  Census  of  Agriculture  conducted  by  the U.S.  Department  of
Commerce  (DOC  1977).   These  data are  summarized by  county and  were
converted to the  uniform 0.5°x 0.5°  cell  grid by methods  described  in
Baes et al. (1984b).  A  more recent Census  of Agriculture is  available,
but differences  in  agricultural  practice and  production  represented  by
the more  current census  were thought to be relatively  small  (less than
10%).   The meteorological data  are 30-year  averages  collected from over

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                                   42
200  U.S.  weather  stations  maintained   by  the  National  Oceanic  and
Atmospheric Administration  (Ruffner 1978; DOC  1968; DOC  1979).   Other
information,  including  land-use  data,  are taken  from  ORNL's  Geoecology
Data Base (01 sen, Emerson, and Nungesser  1980).
     These  data  sources were generally  viewed  as being  appropriate  to
the risk assessment methodology,  which  is concerned  with annual-average
or equilibrium conditions and population  exposures.  Of  greater concern
are the  methods  used  to estimate the terrestrial  transfer coefficients
in  the  model.   Because  information  in  the  literature  on  food-chain
transport  characteristics  for   synfuels compounds   is  scarce,   most
transport   parameters  must   be   estimated  from   structure/activity
relationships.  Table 3 lists the soil/plant,  milk, and  beef  transport
parameters  currently  used  at  ORNL and indicates  which are derived from
literature    sources     and    which    have    been    estimated    from
structure/activity   relationships.    The   parameters   derived   from
literature  sources  represent  an  "average"  value  for  an   "average"
compound within  the kAC.  That  is,  if  references  were  found  for more
than one compound  within an RAC,  a  geometric  mean  (exponential of the
mean  of  the  log-transformed data)  of   all  values  found  was  used.
Typically,  this  procedure  required  determination of  a   geometric mean
value  for  each literature  reference  and  determination  of a  geometric
mean of  all of  these mean values.   However,  in most  cases,  multiple
references or  information  on  more than  one  compound within an  RAC was
not available; thus,  most  parameters  in  Table 3  are based on  only one
reference for each compound.

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                                  43
Table 3.  Transport   parameters   for   synfuels   food-chain   exposure
          assessment
              ,  *d2     Kd3
RAC # Log Kow ]  (s-1)    (ml/g)
                                                       Fm 6     Ff 7
                                                      (d/kg)     (d/kg)
9
10
11
12
13
14
15
16
17
18
19
20
2}
22
23
24
25
27
28
31
32
33
34
35
[-0.36]8
[2.00]
[-1.00]
[2.09]
[4.00]
L3.18J
[5.28J
[0.57]
0.19]
L2.65]
[2.96]
[1.97]
[1.55]
[0.90]
[2.52]
[-0.50]
[2.31]
[0.64]
[-0.92]





2
1
7
1
8
1
L5
3
7
4
1
2
L&
2
4
3
1
4
3





E-69
E-5
E-6
E-6
E-6
E-5
£-8]
E-6
E-6
E-6
E-5
E-6
E-8]
E-5
E-6
E-6
E-6
E-6
E-6





7
[1
[3
[1
0
[5
[7
2
4
[3
[4
1
7
3
2
6
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2
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1
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[7
[9
E-2
E+0]
E-2]
E+OJ
E+l]
E+0]
E+l]
E-l
E-l
E+0]
E+0]
E+0
E-l
E-l
E+0
E-2
E+0
E-l
t-2
E+2]
E+l
E+2
E+0]
E+2]
8 E+2
3 E+l
2 E+3
3 E+l
2 E+0
5 E+0
[2 E-l]
2 E+2
9 E+l
1 E+l
7 E+0
3 E+l
6 E+l
1 E+2
1 E+l
1 E+3
2 E+l
2 E+2
2 E+3
[4 E-2]
[9 E-l]
[6 E-2]
[6 E-l]
[5 E-2]
8
3
2
3
2
5
[3
2
9
1
7
3
6
1
1
1
2
2
2
[6
[2
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E+l
E+0
E+2
E+0
E-l
E-l
E-2]
E+l
E+0
E+0
E-l
E+0
E+0
E+l
E+0
E+2
E+0
E+l
E+2
E-3]
E-l]
E-2]
E-l]
E-3]
5 E-7
8 E-6
2 E-7
8 E-6
8 E-5
[5 E-5]
3 E-4
2 E-6
3 E-6
[4 E-5]
2 E-5
7 E-6
[2 £-4]
2 E-6
1 E-5
4 E-7
1 E-5
2 E-6
3 E-7
[6 E-5]
[5 E-4]
0 E-3]
[1 E-3]
[3 E-4]
5
7
2
8
7
[6
3
1
3
[1
2
7
[4
2
1
4
1
2
. 3
[2
3
6
[6
[3
E-6
E-5
E-6
E-5
E-4
E-4]
E-3
E-5
E-5
E-3]
E-4
E-5
E-4]
E-5
E-4
E-6
E-4
E-5
E-6
E-3]
E-l
E-3
E-4]
E-4]
1.   Logarithm of the water/octanol partitioning coefficient (unitless)
2.   The soil degraaation constant (1/s)
3.   The soil/water distribution coefficient (mL/g)
4.   The  soil/plant  bioaccumulation factor  for vegetative plant  parts
     (unitless)
5.   The  soil/plant  bioaccumulation  factor  for  reproductive/storage
     plant organs (unitless)
6.   The milk  transfer coefficient which  relates  daily intake  to  milk
     concentration at equilibrium (d/kg)
7.   The beef  transfer coefficient which  relates  daily intake  to  beef
     concentration at equilibrium or slaughter (d/kg)
8.   Bracketed values  have either been  measured  directly  or  are  based
     on experimental data reported in the literature
9.   kead as 2 x 10"6.

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                                  44
     The   distribution   coefficient   Kd   is   the   ratio   of   solute
concentration  in  soil  to  that  in  water.   This  parameter  is  used  to
predict leaching  removal from root zone  soil  after the method of  Baes
and Sharp  (1983).   More importantly,  this parameter  is  used  to  predict
the  soil/plant concentration  factors  B.   and  B.   defined  in  Sect.
3.1.   The  prediction  of K^  is  based  on  the relationship  given  by
Briggs (1981),

                  log Kd = -0.99 + 0.53 (log KQW)  .            (3.1)

The  estimation of  B.   is  based on  the  relationship  given  by  Baes
(1982)  between  Kd  and Biy.    Substitution   of  Eq.  (3.1)  into  that
relationship gives

                  log Biv = 2.71 - 0.62 (log KQw)  .            (3.2)

The  soil/plant   CF  for  reproductive/storage  plant  organs  B.    is
assumed to  be 0.1  Biv, based on  the work  of Baes  et  al.  (1984b)  on
inorganic  compounds.    This  relationship  also fits  measured  CFs  for
benzo(a)pyrene  (Kolar  et   al.   1975;  Ellwardt  1977;  Skcodich   1979).
Finally,  the  milk  and  beef  transfer  coefficients  are  derived  by
incorporating into  Kenega's (1980) relationship between bovine fat  BCFs
and log K    the average fat  content  of milk  and beef  (Spector  1956),
         ow
and feed  intake  rates   for  milk  cows   and  beef  cattle  (Shor  et  al.
1982).  These substitutions yield for milk,
                  log Fm =  -6.12 + 0.50 (log KQW)      .         (3.3)
and for beef,
                  log F  =  -5.15 + 0.50 (log K  )  .            (3.4)
                        I                      OW

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                                  45
     The soil  degradation constant  xd  is assumed  to be  equal  to  the
air  degradation  constant  if  no measured  values  are available.   This
approach is taken  because no  structure/activity relationships for  soil
persistence have been published.
     The workshop  participants  recognized many  limitations in  current
procedures  for  estimating  transfer   parameters.    These  limitations
include  (1) the  use of  a single transfer  coefficient  to  represent  an
entire  RAC,  which  may  contain   compounds  having  highly   variable
transport  properties   (perhaps  spanning  four   or  five  orders   of
magnitude),  (2) use  of  relationships  derived  from  work  done   with
inorganic compounds  for  organic compounds,  and  (3)  heavy  dependence  on
Io9  K«u,  as  tne  measure of   structure  for  the  RAC.    None  of   the
      ow
participants  was  able  to  outline  more  appropriate   procedures   for
parameter  determination, although  there  was  general  agreement on  the
need  to  find better approaches.   Also, there  was  a general  consensus
that   for   a  first-cut   screening-level   assessment,   the   parameter
estimation  procedures   were  reasonable.   Some  participants  suggested
that  future  assessments   include uncertainty  estimates  based  on  either
analytical   or   numerical  error   propagation   techniques,   but   the
estimation   of   probability  density   functions   for   the   transport
parameters will be difficult in the absence of experimental data.

3.3  MAJOR LIMITATIONS ON EXISTING DATA AND METHODS
     The workshop  participants  felt that  one of the major shortcomings
of the current  model and, indeed,  the  available data base is  the  lack

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                                  46
of a food contamination pathway  via  foliar  adsorption  and translocation
to  edible  produce  parts.   This  pathway would  be  important  for  both
direct deposition of atmospherically released  pollutants  and  pollutants
dissolved in  irrigation  water.  Once  deposited,  pollutants can  remain
on  leaf  surfaces,  be  removed  from the plant  via weathering,  or  be
passed through  the  cuticle or stomata  and  be redistributed within  the
plant.  The first two  processes  are  modeled in the  current ORNL  model,
but the latter is not.
     Foliar  absorption may  be  the  primary  route  of entry  for  some
chemicals  (e.g.,  herbicides  and  pesticides);  however,   information  is
too  sparse  to  develop predictive  models  based  on  structure/activity
relationships.   Foliar  interception  of  synfuels  compounds,   such  as
gasses,  particulates,  or  hydrosols,  is  primarily  a  function  of  leaf
surface morphology  and structure.   Adsorption  through the cuticle  can
be a significant route of  entry for  particulates and liquids and  may be
related to lipid solubility, molecular  size,  and free  energy.   Stomatal
absorption occurs  primarily with  gasses and  should  be  a function  of
plant  transpiration.   The  workshop  participants  recommended  that  the
foliar absorption/translocation  pathway be  included in the terrestrial
food-chain  pathway  model.   It  was   suggested  that absorption   and
translocation  be  measured  in  experimental   determinations   of   plant
uptake and distribution of synfuel  compounds  so that  predictive  models
based  on  the  above  relationships  can  be  developed.   Finally,   it  was
suggested    that   the    existing     data    on    pesticide     foliar
absorption/translocation  pathways  be   examined  for  structure/activity
relationships.

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                                  47
     A second area deemed  important  is  the  soil  compartment.   Here,  two
areas were cited.  First is  the  prediction  of  soil  degradation kinetics
based   on   structure/activity   relationships,   and   second   is   the
calculation  of   the  synfuel   compound   concentration   in   the   soil
solution.  The  former  is  considered  an  essential  improvement of  the
assessment methodology, and  the  second  allows  much  closer  communication
between modeler and experimentalist.
     The current model  assumes first-order  kinetics for  the degradation
of  organics   in  soil.  Data from field  and  laboratory  studies  of
organics   (mostly   pesticides)   indicate   that   the   assumption   of
first-order  kinetics  is   not always   appropriate  method  in  modeling
degradation  in the soil.   Rates  of  degradation in  soil  sometimes  depend
on  the  concentrations  in  soil  and  on  environmental  variables such  as
soil temperature, moisture,  etc.  Adaptation of soil microorganisms  to
organics can increase  degradation rates.  In such cases, there may be a
significant departure from first-order kinetics.
     An  associated problem is the  lack of a  model  for predicting  the
soil  degradation  constants  (x,).   The current  approach  is   to  assume
the  same  value   for  x ,   as   for   x    (the   atmospheric   degradation
                         Q             a
constant).   A  good  predictive  model  for  soil   degradation   would
incorporate  structure/activity  relationships  based  on   easily measured
chemical  or  structural  properties  (e.g.,  molecular  size,  functional
groups,  and/or water  solubility).   The  group recommended examination  of
the pesticide data base for such structure/activity relationships.

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                                   48'
     The  prediction  of a  soil  solution  concentration  is  an  important
consideration   from   the    standpoint    of   integrating   results   of
experimental   plant   uptake    studies    with    modeling   activities.
Experimental   studies   of   root   uptake   of  synfuel   compounds   must
necessarily  be based  on  hydroponic  solutions  for practical  reasons.
Constant  measurable substrate  concentrations  must be  maintained  and
soil  kinetics  must be  eliminated.   Recognizing  these  requirements,
workshop  participants  felt  that  the  model  should  be  modified  to
accommodate   the   experimental   data,   rather   than   vice   versa.
Additionally,  a  soil   solution  submodel  would allow  the prediction  of
the  traditional  soil/plant  concentration factor  from  hydroponic  data
and  would  also  provide  a  means  of  assessing  impact  of  synfuels
compounds on  crops, because  the  majority  of  toxicological data is  based
on hydroponic studies.
     Another  important area  for  further improvement in  the  model  is the
consideration of the effects of  food  processing  (especially cooking)  on
human  exposures.   Exposure  from leafy vegetables  and  exposed  produce
would  be expected  to  be  significantly   reduced   by  food  processing,
including washing,  trimming, and removal  of outer  exposed  plant  parts.
All  of  the  attendees  felt that,  especially  for organic  compounds,  the
effects  of  heating during cooking would   tend  to  significantly  reduce
human exposures  because  of thermal degradation.   The  EPA  is  currently
developing  loss  estimates  for the  various food  preparation  processes.
Preliminary   results   are  highly  variable   and   highly  dependent  on
individual  preparation  practices.   Nevertheless, the unanimous  opinion

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                                  49
of the participants was that this  consideration  is  an  important one for
all meat  and  that most milk  and  vegetable  pathways should be further
researched.
     Other  areas  needing  attention  are  (1)  the   inclusion  of  animal
products  other  than beef  and  milk  into  the model,  (2)  accounting  for
differences   in   transfer  coefficients   resulting   from   livestock
management practice,  (3) consideration  of water  and soil  ingestion  by
livestock  (in addition  to  feed),  (4) addition of irrigation water  as a
source  term  to   the  terrestrial  system,  (5) capability  to model  acute
exposures  and sensitive populations, and  (6)  estimation  of uncertainty
associated with  model  predictions.  These additional  capabilities  were
not unanimously  considered to  be  essential  by  the workshop,  although
one or  more  of  the participants felt  strongly about each.  The reason
that these issues were not collectively considered to be  as  important
as the  issues previously  described is probably that  their  inclusion  in
the model  is not  expected  to change  model  results  significantly, or,  in
the case  of  the uncertainty issue, the  uncertainty estimate could  only
be tested  through model validation, which could be difficult.
     The  food-chain  model  considers only  cow's  milk and  beef  pathways
in its  current  form.   The  workshop participants  suggested that  chicken,
pork, and  egg pathways  be  considered as well.  It  was pointed  out  that
poultry  and  swine  are significant  components  of  the   American  diet.
Rupp  (1980)  found these  two  sources to constitute VI  and 13%  of  the
total   annual    consumption   of   meat   and   other  animal   products,
respectively, for the over-18 age group.   By contrast,   milk  (and  milk

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                                   50
products)  and  beef  constitute  51   and   14%,  respectively.   A  first
solution to  account for poultry and  swine  would  be to  adjust  the beef
consumption  rates  used in the  risk  assessment model  upward  to reflect
consumption  of  all  meats.   However,  this approach  assumes that  beef
transfer coefficients are  appropriate to  poultry  and  swine.   Eisele,
Traylor, and Schwarz  (1983)  demonstrate  this  not  to  be  the  case  for
three  organic  compounds.    In  general,  the  ordering   of  transfer
coefficients  was  found to be  poultry  >  swine  > bovine.   Therefore,  a
better approach would be to include poultry and swine in the model.
     The use  of a  single  transfer  coefficient  for  an animal product was
criticized   because  livestock  management   practice   is   thought   to
significantly  influence contaminant  metabolism.  Two  examples are  the
differences  between broilers  and  egg-laying  hens  and  between  beef  and
dairy cattle.  Egg  laying in  poultry  and  milk  production in cows  can be
significant  routes  of  depuration of  ingested  synfuels  compounds because
these two  excretory pathways  are very  important for these  animals.   In
the  absence   of these excretory  pathways  (broilers  and beef  cattle),
higher  accumulations of  organics  in  body tissues  would  be  expected.
However, because  this  effect  is  not  proven  for  synfuel compounds,  it
was  suggested that further research  be done  to examine  this question.
If  it  is  found  that  management  practice  does  influence  the  measured
livestock  transfer  coefficients,   the   model   should   be   modified
accordingly.
     Also  of concern  in  the  modeling of  livestock   pathways is  the
consumption  of  contaminated  soil   and water  during  grazing.   It  was

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                                  51
pointed out  that cattle consume  roughly 0.5  to  1 kg  of soil per  day
while  grazing  pasture;  poultry  and  swine,  to  a  lesser extent,  also
consume soil.  If  soil/plant CFs are low  (as  indeed  they are  for  most
synfuel compounds as currently  modeled),  then soil may be an  even  more
important  pathway  than   ingestion  of   feed.   To   a   lesser  extent,
contaminated water  may also be  considered  an ingestion  source.   These
additional contamination sources  may be more  important  in certain areas
of the United  States  than  in others, depending on  livestock  management
practices.   The  workshop participants could  not  arrive at a  consensus
as to whether  incorporation  of  these  pathways  would significantly alter
model  results.   In  the  interest  of  conservatism,  however,  it  was
generally agreed that  provisions  for these pathways  should be examined
in the food-chain model.
     Another  recommended  addition  to  the  food-chain  model  is  the
contribution  of  contamination  of  agricultural  plants  via  irrigation
water.   In  many parts of  the  country,  irrigation  waters are  derived
from  groundwater supplies, and organics  deposited  on or  in  soil  could
reach these  reservoirs.   In other parts of the country,  surface  waters
contaminated via atmospheric,  aquatic, and  surface runoff inputs,  are
used  for  irrigation of  crops.    It was  suggested  that  simple bounding
analyses  be  performed  to determine the importance of this source term.
If this  is  found to  be a critical pathway,  data  collection  and model
modifications  should  be  undertaken.    Inclusion  of  this  pathway  is
appealing because  it  would  link  the  terrestrial  and aquatic  transport
models.    If  irrigation   proved  significant,    the  addition  of   a
groundwater transport model would also be needed.

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                                  52
     The workshop  addressed issues  that  went beyond  the scope of  the
food-chain  model  itself,   including the  capability  to  assess  acute
exposures and sensitive populations  and to estimate  uncertainties.   The
current  assessment  strategy  addresses  chronic  population  exposures
after  35  years   of  synfuel  plant  operation.   Because these  facilities
have a projected lifetime of 30  years,  the assessment  scenario now used
should   provide   maximum   average   exposure   estimates.     However,
participants  recognized  the  need  to  address   acute  exposures   from
intermittent pollutant  releases  and exposures to  sensitive  populations
(nursing mothers,  children,  vegetarians,  individuals growing  their  own
food,  etc.).   Acute  exposures  and  exposures  to  sensitive  populations
should eventually  be addressed  in both the  transport  modeling and  in
the  determination  of  risk  estimates.   Currently,   simple  bounding
estimates  to address  these  needs  should  be  performed in  both  the
transport and risk methodologies.
     Finally, although  sensitivity analyses  have been performed on  the
food-chain model,  numeric determination of model  uncertainties have  not
been   performed.    Stochastic   variability  could  be   examined  using
available  numerical  and  analytic  tools  [e.g.,  ORNL's  Monte  Carlo
techniques  (Gardner  and O'Neill  1983)  and Carnegie-Mellon  University's
DEMOS  model  (Henrion  and  Morgan,  in press)].  Model results  would then
be  presented  as  distributions  rather  than  as  single-value  estimates.
These  techniques   allow   important   contributors  to   overall   model
uncertainty  to   be  specified as   a  guide  to  further  research.   Also,
methods  for  examining  systematic  error  need  to  be  developed.   Of

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                                  53
course,  the best  method to  address  systematic  error  would  be  model
validation.  The workshop concluded  that validation is really the  only
method not only to ensure that  the assessment  model  is both appropriate
and  accurate   but  also  to   specify  definitively   the   uncertainty
associated  with model  predictions.    Validation  would  also  determine
whether  the  various  concerns  about  the current  model expressed  above
are important.

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                                   54

                            4.  REFERENCES

Baes, C.  F., III.   1982.   "Prediction of  radionuclide Kd  values  from
     soil-plant   concentration   ratios."    Trans.   Amer.   Nucl.   Soc.
     41:53-54.
Baes, C. F., Ill and R. D. Sharp.   1983.   "A proposal  for estimation of
     soil  leaching  and  leaching  constants  for   use  in  assessment
     models."  J. Environ. Qual. 12(l):17-28.
Baes, C.  F.,  Ill,  r.  D.  Sharp,   A.  L.  Sjoreen,  and  0.   W.  Hermann.
     1984a.  TERRA:   A Computer Code  for Calculation  of  the  Transport
     of  Environmentally  Released  Radionuclides  Through  Agriculture.
     ORNL-5785.   Martin  Marietta  Energy   Systems,   Inc.,  Oak  Ridge
     National Laboratory.
Baes, C. F., Ill, R. D. Sharp, A.  L. Sojoreen, and  R.  W.  Shor.   1984b.
     A  Review  and  Analysis  of Parameters  for  Assessing  Transport  of
     Environmentally   Released   Radionuclides   Through   Agriculture.
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Briggs,  6.  G.   1981.   "Theoretical  and  experimental   relationships
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Guiney, P.  D.,  M. J.  Melancon,  Jr., J.  J.  Lech,  and  R. E. Peterson.
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        63
APPENDIX A.  AGENDA

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                                  65

           WORKSHOP ON FOOD CHAIN MODELING FOR RISK ANALYSIS
                 Capitol Hill Hotel  - Washington, D.C.
                           March 22-24, 1983
                                 AGENDA

Tuesday, March 22, 1983 - All Day
     Welcome:  Mel Carter, Georgia Inst. of Tech.
     Introduction to the Workshop:  C. Fred Baes III, ORNL

     Charge to Workshop Participants:  Alan Moghissi, EPA

     Presentations:
         C. Fred Baes III, ORNL
         James Breck, ORNL
         Jim Falco, EPA
         Jerry Eisele, ORAU/CARL
         Craig McFarlane, EPA
         Chuck Garten, ORNL
         John Connolly, Manhattan College
         John Nagy, Brookhaven National Laboratory
         Paul Moskowitz, Brookhaven National Laboratory
         F. Owen Hoffman, ORNL
     Break into working groups:  Aquatic and Terrestrial

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                                  66
Wednesday, March 23 - All Day
     Working group discussions and report writing
     Topics discussed by each group:
         1.  Significance of potential uptake pathways
         2.  Lessons from radionuclide assessment
         3.  Extrapolation from laboratory to field
         4.  Major uncertainties in food chain assessment

Thursday, March 24 - A.M.
     Presentation, discussion, and review of draft recommendations
         1.  Footi chain models best suited to synfuels risk analysis
         2.  Data sources and  parameter estimation methods  best  suited
             to synfuels risk analysis
         3.  Major limitations on existing data ano methods

     Noon:  Adjournment

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               67
APPENDIX B.  LIST OF PARTICIPANTS

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                                  69


           WORKSHOP ON FOOD CHAIN MODELING FOR RISK ANALYSIS

                 Capitol Hill Hotel  - Washington, D.C.

                           March 22-24, 1983

                         LIST OF PARTICIPANTS
                                AQUATIC
Jim Breck
Environmental Sciences Division
Oak Ridge National Laboratory
P. 0. Box X
Oak Ridge, TN 37831
(616) 574-7263/FTS 624-7263

Paul Cho
Health £ Environmental Risk Analysis
  Program
U.S. Department of Energy
Washington, DC 20545
(202) 353-5897/FTS 233-5897

John Connolly
Environmental Engineering & Science
  Program
Manhattan College
4513 Manhattan College Parkway
Riverdale, NY 10471
(212) 920-0276

Anthony S. W. deFreitas
National Research Council of Canada
Atlantic Research Laboratory
1411 Oxford Street
Canada B3H 3£1
(902) 426-8263

Jim Falco
Environmental Protection Agency
ORD
401 M. Street
Washington, DC 20460
(202) 382-7327/FTS 382-7327
F. 0. Hoffman
Health £ Environmental  Research
  Division
Oak Ridge National Laboratory
P. 0. Box X
Oak Ridge, TN 37831
(615) 576-2118/FTS 626-2118

John Nagy
Brookhaven National  Laboratory
Associated Universities, Inc.
Upton, NY 11973
(516) 282-2667/FTS 666-2667

Anne Spacie
Department of Forestry & Natural
  Resources
Puraue University
West Lafayette, IN 47907
(317) 494-3621

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                                   70
           WORKSHOP ON FOOD CHAIN MODELING FOR RISK ANALYSIS

                 Capitol Hill Hotel - Washington, D.C.

                           March 22-24, 1983

                          LIST OF  PARTICIPANTS
                              TERRESTRIAL
C. F. Baes, III
Environmental Sciences Division
Oak Ridge National Laboratory
P. 0. Box X
Oak Ridge, TN 37831
(615) 576-2137/FTS 626-2137

Jerry Eisele
Oak Ridge Associated Universities
Comparative Animal Research
  Laboratory
Oak Ridge, TN 37831
(615) 576-4081/FTS 626-4081

Chuck Garten
Environmental Sciences Division
Oak Ridge National Laboratory
P.O. Box X
Oak Ridge, TN 37831
(615) 574-7355/FTS 624-7355

Russell Kinerson
Exposure Evaluation Division (TS798)
Office of Toxic Substances
U.S. Environmental Protection Agency
401 M. Street, SW
Washington, DC 20460
(202) 382-3929/FTS 382-3929

Craig McFarlane
Corvallis Environmental Research
  Laboratory
200 SW 35th Street
Corvallis, OR 97333
(505) 757-4670/FTS 420-4670
Paul D. Moskowitz
Brookhaven National Laboratory
Associated Universities, Inc.
Upton, NY 11973
(516) 282-2017/FTS 666-2017

Curtis Travis
Health & Safety Research Division
Oak Ridge National Laboratory
P. 0. Box X
Oak Ridge, TN 37831
(615)-576-2107/FTS 626-2107

Melvin W. Carter
School of Nuclear Engineering
  and Health Physics
Georgia Institute of Technology
Atlanta, GA 30332
(404) 894-3745

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                              71
                                                        ORNL-6051
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                     EXTERNAL DISTRIBUTION

47.   J.  Frances  Allen,   Science   Advisory  Board,  Environmental
      Protection Agency, Washington, DC  20460
48.   Richard  Balcomb,   TS-769,   Office  of   Pesticide  Programs,
      Environmental   Protection   Agency,   401   M   Street,   SW,
      Washington, DC  20460
49.   Nathaniel  F.   Barr,   Office  of   Health   and  Environmental
      Research, Department of Energy, Washington, DC  20545
50.   Colonel Johan Bayer, USAF OHEL, Brook AFB, TX  78235
51.   Frank  Benenati,  Office  of  Toxic  Substances,  Environmental
      Protection Agency, 401 M Street, SW, Washington, DC  20460
52.   K. Biesinger, Environmental Protection  Agency, National Water
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53.   J.  D.  Buffington,  Director,  Office  of  Biological  Services,
      U.S. Fish   and   Wildlife   Services,   1730   K  Street,   NW,
      Washington, DC  20240
54.   J.   Cairns,   Center   for  Environmental   Studies,   Virginia
      Polytechnic   Institute  and  State   University,   Blacksburg,
      VA  24061
55.   J.  Thomas   Callahan,   Associate  Director,  Ecosystem  Studies
      Program,   Room  336,    1800 G Street,   NW,  National   Science
      Foundation, Washington, DC  20550
56.   Melvin W.  Carter,  Georgia Institute of  Technology,  School  of
      Nuclear Engineering and Health Physics, Atlanta, GA  30332
57.   Paul  Cho,   Health  and  Environmental   Risk Analysis  Program,
      HHAD/OHER/ER, Department of Energy, Washington, DC  20545
58.   John  Connolly,  Environmental  Engineering &  Science  Program,
      Manhattan College, 4513 Manhattan  College Parkway, Riverdale,
      NY  10471

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                               72
59.   C.  E.   Cashing,   Ecosystems  Department,  Battelle-Northwest
      Laboratories, Richland, WA  99352
60.   R.  C.  Dahlman,  Carbon  Cycle Program Manager,  Carbon Dioxide
      Research  Division,  Office  of  Energy  Research,  Room J-311,
      Ek-12, Department of Energy, Washington, DC  20545
61.   Anthony S. W. deFreitas,  National  Research  Council  of Canada,
      Atlantic Research  Laboratory,  1411 Oxford  Street,  Canada B3H
      3Z1
62.   Sidney Draggan,  Ecologist-Policy  Analyst,  Division  of Policy
      Research   and   Analysis,    National    Science   Foundation,
      Washington, DC  20550
63.   Charles  W.  Edington,  Office  of  Health  and  Environmental
      Research, Department of Energy, Washington,  DC  20545
64.   Gerhard  R.  Eisele,  Comparative  Animal  Research  Laboratory,
      1299 Bethel Valley Roaci, Oak Ridge, TN  37830
65.   Jim  Falco,  Environmental  Protection  Agency,  ORU,  401  M.
      Street, Washington, DC  20460
66.   David  Flemar,   Environmental  Protection  Agency,  Washington,
      DC  20460
67.   G.  J. Foley,  Office  of  Environmental  Process  and  Effects
      Research, U.S.  Environmental  Protection  Agency, 401 M Street,
      SW, RD-682, Washington, DC  20460
68.   Ralph Franklin,  Office of Health  and  Environmental  Research,
      Department of Energy, Washington,  DC  20545
69.   David Friedman, Hazardous  Waste Management  Division (WH-565),
      Office  of  Solid  Waste,   Environmental   Protection  Agency,
      401 M Street, SW, Washington, DC  20460
70.   Norman  R.   Glass,  National  Ecological  Research  Laboratory,
      Environmental   Protection  Agency,   200   SW   35th   Street,
      Corvallis, OR  97330
71.   Leonard  Hamilton,  Department  of   Energy   and  Environment,
      Brookhaven National Laboratory, Upton, NY   11973
72.   J.  W.  Huckabee,   Project Manager,  Environmental  Assessment
      Department,  Electric  Power Research  Institute, 3412 Hi 11 view
      Avenue, P.O. Box 10412, Palo Alto, CA  94303
73.   Norbert  Jaworski,  Environmental  Research  Laboratory-Duluth,
      6201 Congdon Boulevard, Duluth, NM  55804
74.   Donald Johnson,  Gas  Research  Institute,  8600  West  Bryn  Mawr
      Avenue, Chicago, IL  60631
75.   George Y. Jordy, Director, Office  of  Program Analysis, Office
      of Energy Research,  ER-30,  G-226,  U.S. Department  of Energy,
      Washington, DC  20545
76.   Russell  Kinerson,   Exposure  Evaluation   Division   (TS798),
      Office  of  Toxic   Substances,  U.S.  Environmental  Protection
      Agency, 401 M Street, SW, Washington, DC  20460
77.   Library, Bureau  of Sport  Fisheries  and Wildlife,  Department
      of the Interior, Washington, DC  20240
78.   Library,  Food   and  Agriculture,  Organization  of  the  United
      Nations,  Fishery  Resources  and  Environment  Division,   via
      delle Termi di  Caracal la 001000, Rome, Italy

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                                   73
    79.  Library,  Western  Fish  Toxicology  Laboratory,  Environmental
         Protection Agency, Corvallis, OR  97330
    80.  Ronald R. Loose, Department of Energy, Washington, DC  20545
    81.  Helen McCammon, Director,  Ecological  Research  Division,  Office
         of  Health   and  Environmental   Research,  Office   of   Energy
         Research,  MS-E201,  ER-75,  Room E-233,  Department  of  Energy,
         Washington, DC  20545
    82.  Craig McFarlane,  Corvallis Environmental  Research  Laboratory,
         200 SW 35th Street, Corvallis, OR  97333
83-132.  Alan  Moghissi,  Environmental  Protection  Agency,  MC  RD-682,
         401 M Street, SW, Washington, DC  20460
   133.  Dario M. Monti, Division of  Technology Overview,  Department of
         Energy,  Washington, DC  20545
   134.  Harold A.  Mooney,  Department of Biological  Sciences,  Stanford
         University, Stanford, CA  94305
   135.  Sam   Morris,   Brookhaven    National   Laboratory,   Associated
         Universities, Inc., Upton, NY  11973
   136.  Paul  D.  Moskowitz,  Brookhaven National  Laboratory,  Associated
         Universities, Inc., Upton, NY  11973
   137.  J.  Vincent  Nabholz,  Health and  Environmental  Review Division,
         Office  of  Toxic  Substances,  Environmental Protection  Agency,
         401 M Street, SW, Washington, DC  20460
   138.  John   Nagy,   Brookhaven   National   Laboratory,   Associated
         Universities, Inc., Upton, NY  11973
   139.  Barry E. North, Engineering-Science,  10  Lakeside  Lane,  Denver,
         CO  80212
   140.  Goetz Oertel, Waste Management Division,  Department  of  Energy,
         Washington, DC  20545
   141.  Office  of  Toxic  Substances,  Environmental Protection  Agency,
         401 M Street, SW, Washington, DC  20460
   142.  F.  L.  Parker,  College  of  Engineering,  Vanderbilt  University,
         Nashville, TN  37235
   143.  G.  P.  Patil,  Statistics  Department,  318  Pond  Laboratory,
         Pennsylvania State Universtiy, University Park, PA  16802
   144.  Ralph Perhac, Electric  Power Research  Institute,  3412  Hillview
         Avenue,  P.O. Box 10412, Palo Alto,  CA  94304
   145.  J.  C.  Randolph,  School of  Public  and  Environmental  Affairs,
         Indiana University, Bloomington, IN  47405
   146.  Irwin Remson,  Department  of  Applied  Earth Sciences,  Stanford
         University, Stanford, CA  94305
   147.  Abe  Silvers,  Electric  Power  Research  Institute,  P.O.  Box
         10412, Palo Alto, CA  94303
   148.  David  Slade,  Office  of   Health  and  Environmental  Research,
         Department of Energy, Washington, DC  10545
   149.  Anne  Spacie,  Department  of  Forestry  &  Natural  Resources,
         Purdue University, West Lafayette,  IN  47907
   150.  R.  J.  Stern,   Director,  Office of Environmental  Compliance,
         MS PE-25,   FORRESTAL,   U.S.  Department   of   Energy,   1000
         Independence Avenue, SW, Washington, DC  20585

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                                  74
    151.  Frank  Swanberg,  Jr.,  U.S.  Nuclear  Regulatory  Commission,
          Washington, DC  20555
    152.  The  Institute  of  Ecology,  1401  Wilson  Blvd.,   Box  9197,
          Arlington, VA  22209
    153.  Burt    Vaughan,    Battelle-Pacific    Northwest    Laboratory,
          Richland, WA  99352
    154.  John Walker,  Assessment  Division, TS  778, Office  of  Toxic
          Substances,  U.S.  Environmental   Protection  Agency,   401   M
          Street, SW, Washington, DC  20460
    155.  Robert   L.  Watters,  Ecological  Research  Division,  Office  of
          Health  and Environmental Research, Office of Energy  Research,
          MS-E201, ER-75, Room F-226, Department  of Energy,  Washington,
          DC  20545
    156.  D.  E.   Weber,  Office  of  Energy,  Minerals,   and  Industry,
          Environmental Protection Agency, Washington, DC   20460
    157.  A.  M.   Weinberg,   Institute  of  Energy  Analysis,   Oak  Ridge
          Associated Universities, Oak Ridge, TN  37830
    158.  Raymond  G.  Wilhour,   Chief,  Air  Pollution  Effects  Branch,
          Corvallis    Environmental    Research    Laboratory,     U.S.
          Environmental    Protection    Agency,   200 SW 35th    Street,
          Corvallis, OR  97330
    159.  Ted  Williams,  Division of  Policy  Analysis,   Department  of
          Energy, Washington, DC  20545
    160.  Frank  J.  Wobber,  Ecological  Research  Division,   Office  of
          Health  and Environmental Research, Office of Energy  Research,
          MS-E201, Department of Energy,  Washington,  DC  20545
    161.  Gordon  M. Wolman, The  Johns Hopkins  University,  Department  of
          Geography and Environmental Engineering, Baltimore, MD  21218
    162.  Bill  Wood,  TS-798,  U.S.  Environmental   Protection  Agency,
          401 M Street, SW, Washington,  DC  20460
    163.  Robert     W.    Wood,    Director,    Division   of    Pollutant
          Characterization  and  Safety Research,  Department  of  Energy,
          Washington, DC  20545
    164.  R. Wyzga,  Manager,  Health and Environmental Risk  Department,
          Electric Power Research Institute, P.O. Box 10412,  Palo Alto,
          CA  94303
    165.  Office    of   Assistant  Manager   for   Energy   Research   and
          Development,   Oak   Ridge   Operations,   P. 0.  Box  E,   U.S.
          Department of Energy, Oak  Ridge, TN  37831
166-192.  Technical Information Center,  Oak Ridge, TN   37831

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