United States
                 Environmental Protection
                 Agency
National Exposure
Research Laboratory
Research Triangle Park, NC 27711
                 Research and Development
EPA/600/SR-96/141
December 1996
SEPA     Project  Summary

                 Investigations  of Coupled
                 Geochemical and  Transport
                 Modeling for the Hazardous
                 Waste  Identification  Rule
                 Louise J. Criscenti
                   Research to define both allowable
                 metal concentrations in waste streams
                 for landfill disposal and allowable land-
                 fill leachate compositions is being con-
                 ducted by the U.S. Environmental Pro-
                 tection Agency.  Leachate interaction
                 with the subsurface may reduce or in-
                 crease the impact of disposed metals
                 on  water quality. For regulatory pur-
                 poses, it is important to develop mod-
                 els that encompass the full spectrum
                 of landfill leachate migration scenarios
                 possible in the United States. The cal-
                 culations presented here were per-
                 formed to  establish  reasonable high-
                 end exposure scenarios.
                   The Chemical Transport Model was
                 used to perform calculations to illus-
                 trate the interaction between landfill
                 leachate and the subsurface. The ma-
                 jor inorganic constituents  of both the
                 ground water and the landfill leachate
                 are included in  aqueous  speciation/
                 solubility calculations. Transport is de-
                 scribed by a 1-D advection/dispersion
                 equation. Cadmium was selected as an
                 example metal for the calculations, and
                 its adsorption onto ferric hydroxide Is
                 described by a surface complexation
                 model.
                   Preliminary results showed that the
                 continual influx of an acidic (pH = 5.9)
                 landfill leachate into the  subsurface
                 may deplete the acid buffering capac-
                 ity  of alkaline soil and ground water
                 (pH  =  8.0) within 20 to 30 years.
                 Changes in solution pH led to changes
                 in aqueous speciation and metal ad-
                 sorption. In the simulations performed,
                 cadmium desorbed as pH decreased,
                 leading to the migration of a Cd front
 through the subsurface with higher Cd
 concentrations than those in the Initial
 landfill leachate. Additional calculations
 will be required to determine whether
 changes in landfill leachate composi-
 tion over the lifetime of the landfill or
 changes in the subsurface redox envi-
 ronment due to leachate migration will
 significantly affect the model results.
   This Project Summary was developed
 by the National Exposure Research
 Laboratory's Ecosystems Research Di-
 vision, Athens  GA,  to announce key
 findings of the research project that Is
 fully documented in a separate report
 (see Project Report ordering Informa-
 tion at back).

 Synopsis of Report
   The objectives of the Hazardous Waste
 Identification Rule (HWIR) are to define
 allowable constituent concentrations in
 waste streams for landfill disposal and to
 define allowable landfill leachate concen-
 trations. A  methodology for organic con-
 stituents has been developed in which a
 ground water chemical transport code is
 used to determine the dilution attenuation
 factor (DAF), or the ratio of the leachate
 concentration at a landfill to the concen-
 tration at a receptor well,  for each con-
 stituent.  Using the maximum allowable
 concentration level (MCL) at the receptor
 well, one can back-calculate the allowable
 concentration in  the leachate. A distribu-
 tion of DAFs  representing the range of
 possible outcomes at landfills nationwide
 can be calculated by applying the trans-
 port code in a Monte Carlo mode.
   Generating appropriate DAFs for metal
 constituents in waste streams is more dif-
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ficult than generating DAFs for organics
due to variations in  metal  behavior with
changes in solution and soil chemistry. In
the HWIR methodology, the chemistry and
transport of metals from the landfill through
the vadose and saturated zones to a po-
tential receptor well is simulated with the
use of  a  loosely  coupled, deterministic
transport and  chemistry model. This re-
port reviews the assumptions made in the
HWIR methodology  for metals, summa-
rizes the compositional data available for
landfill  leachates, and  explores (through
the use of an aqueous speciation/solubil-
ity code and a one-dimensional coupled
reaction/transport code) the "conservative
nature" of the HWIR assumptions (i.e., do
the HWIR assumptions provide conserva-
tive estimates of potential  contamination
at receptor wells).
  In the HWIR methodology, geochemical
reaction is coupled with transport through
the use of  sorption isotherms for several
metal contaminants (beryllium, cadmium,
chromium, mercury, nickel, and lead). Four
master  variables—ground  water pH, or-
ganic matter from the landfill  leachate,
iron oxide  adsorbent concentration, and
natural organic matter—are considered to
play  significant roles in the behavior of
metals  in   the subsurface  environment.
Each  of these four  master variables is
assigned three values (high, medium, and
low)  to  generate a grid of geochemical
environments  that spans the  conditions
that  might  be observed  in landfill sce-
narios. This grid is accessed by the trans-
port code whenever geochemical param-
eters are required.
  This study examines whether the four
master variables selected  for the  HWIR
methodology  characterize the landfill
leachate and the soil matrix/ground water
system  sufficiently to predict metal con-
taminant transport in the subsurface. The
HWIR assumptions  regarding landfill
leachate compositions, soil buffering ca-
pacity, redox reactions, competition  be-
tween metals  for  adsorption sites, and
sorption by clay minerals are reviewed. A
major concern with the HWIR methodol-
ogy  is  that the  development of  the
geochemical model separately  from the
transport model in the "loosely coupled"
code may not sufficiently characterize the
interactions that arise as leachate is gen-
erated and  introduced into  the subsur-
face.
  Coupled reaction/transport  simulations
were performed using the Chemical Trans-
port Model (CTM) in order to demonstrate
the importance of  the leachate and soil
compositions on the transport and  trans-
formation of metals. Five simple scenarios
illustrate the effects of variable amorphous
hydrous feme oxide (HFO) concentrations,
the presence of calcite, and competitive
adsorption between a metal and other sol-
utes.
  CTM  requires a  path line length, aver-
age   pore  water  velocity,  and the
dispersivity of a conservative tracer along
the path line. These input parameters were
calculated using the values representative
of the 85 percentile reported in prior  HWIR
studies, so that the results are represen-
tative of 15% of the HWIR scenarios. A
representative  landfill leachate composi-
tion and an HWIR ground water composi-
tion at pH  8.0 are used. Cadmium is used
as a representative HWIR metal.
  Cadmium may be retarded by both ad-
sorption and solubility reactions in the sub-
surface environment. The  adsorption
model in CTM is a surface complexation
model developed to calculate the adsorp-
tion behavior of selected  aqueous  con-
stituents on amorphous hydrous ferric ox-
ide.  A  thermodynamic database  was
adopted and acetate complexes from the
MINTEQA2 database and phosphate and
ammonium complexes were added. Cad-
mium adsorption to organic matter was
not considered.
  The  simulations  show that both  HFO
and calcite contribute to the acid-buffering
capacity  of soil. Competitive adsorption
between Cd2* and the major cations in the
leachate and ground water decreases the
concentration of sorbed Cd2*, thereby in-
creasing the  concentration of Cd2* that
migrates downstream.
  The simulations also illustrate that one
reasonable high-end scenario arises when
the continual influx of an acidic (pH = 5.9)
landfill  leachate into the subsurface de-
pletes the acid buffering capacity of the
soil and ground water (pH = 8.0). Changes
in solution pH led to changes in aqueous
speciation and metal  adsorption. In the
simulations performed, Cd desorbed as
the pH of the subsurface decreased due
to mixing with the infiltrating leachate. This
led to the migration of a Cd front through
the subsurface with higher Cd concentra-
tions than those  in  the  initial landfill
leachate.
  Additional calculations will be required
to  determine  whether  changes in landfill
leachate composition over the lifetime of
the landfill or changes in the subsurface
redox environment due to leachate migra-
tion will significantly affect the model re-
sults.
                                                                              *U.S GOVERNMENT PRINTING OFFICE. 1997 .
                                                                                                               54MOI/60IM

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