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NEA-1346 CHEMTARD.

CHEMTARD, Simulation of Chemical Species Through Porous Media

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1. NAME OR DESIGNATION OF PROGRAM:  CHEMTARD.
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2. COMPUTERS
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Program name Package id Status Status date
CHEMTARD NEA-1346/01 Tested 11-AUG-1993

Machines used:

Package ID Orig. computer Test computer
NEA-1346/01 SUN DEC VAX 6000
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3. DESCRIPTION OF PROGRAM OR FUNCTION

CHEMTARD is a computer program  capable of simulating the migration of chemical species through saturated porous media.
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4. METHOD OF SOLUTION

The code employs the direct method of coupling, whereby mass action terms are incorporated within transport equations, leading implicitly to strong interaction between equilibrium chemistry and hydrodynamic transport. Component models permit the treatment of aqueous complexation, transport by advection and/or diffusion, reversible precipitation-dissolution, sorption by  ion-exchange or surface complexation, radioactive decay, redox reactions, multiple-layered transport and a wide range of boundary conditions.
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM:
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6. TYPICAL RUNNING TIME:
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7. UNUSUAL FEATURES OF THE PROGRAM:
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8. RELATED AND AUXILIARY PROGRAMS

The program has been developed from the Lawrence Berkeley code CHEMTRN by WS Atkins Engineering Sciences (NESC 9774).
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9. STATUS
Package ID Status date Status
NEA-1346/01 11-AUG-1993 Tested at NEADB
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10. REFERENCES:
NEA-1346/01, included references:
- D.G. Bennett, S.K. Liew, C.S. Mawbey, and D. Read:
  CHEMTARD Programmer's Manual
  M1515/PD-WSA-6 (December 1991).
- D.G. Bennett, S.K. Liew, C.S. Mawbey, and D. Read:
  CHEMTARD User's Manual
  M1515/UD-WSA-6 (December 1991).
- D.G. Bennett, S.K. Liew, C.S. Mawbey, and D. Read:
  CHEMTARD Program Test Documentation Manual
  M1515/PD-WSA-7 (December 1991).
- D.G. Bennett, S.K. Liew, C.S. Mawbey, and D. Read:
  CHEMTARD Theoretical Overview
  M1515/TR-WSA-48
  DoE/HMIP/RR/92.036 (December 1991).
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11. MACHINE REQUIREMENTS

CHEMTARD has been developed for use on VAX 11/780 (operating under VMS), SUN 4/110 and SPARC I and II machines  (operating under UNIX). The performance of the code on other machines cannot be guaranteed.
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-1346/01 FORTRAN-77
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13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED:
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS:
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15. NAME AND ESTABLISHMENT OF AUTHORS

    D G Bennet, S K Liew, C S Mawbey, D Read
    WS Atkins Engineering Sciences
    Woodcote Grove
    Ashley Road
    EPSOM, Surrey KT18 5BW, U.K.
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16. MATERIAL AVAILABLE
NEA-1346/01
File name File description Records
NEA1346_01.001 Information file 77
NEA1346_01.002 JCL in interactive mode 12
NEA1346_01.003 chem.f CHEMTARD FORTRAN 77 source 9690
NEA1346_01.004 vaxchem.f FORTRAN subrout. for VAX version 225
NEA1346_01.005 ac.cmn Included common block 22
NEA1346_01.006 chemc.cmn Included common block 77
NEA1346_01.007 chempars.cmn included common block 25
NEA1346_01.008 marker.cmn included common block 23
NEA1346_01.009 redox.cmn included common block 24
NEA1346_01.010 resid.cmn included common block 24
NEA1346_01.011 spacegrid.cmn included common block 22
NEA1346_01.012 excase.d Example case for CHEMTARD 166
NEA1346_01.013 ver1.d Verif. test 1 input file 199
NEA1346_01.014 ver2.d Verif. test 2 input file 132
NEA1346_01.015 ver3.d Verif. test 3 input file 134
NEA1346_01.016 ver4.d Verif. test 4 input file 96
NEA1346_01.017 ver5.d Verif. test 5 input file 67
NEA1346_01.018 ver6.d Verif. test 6 input file 172
NEA1346_01.019 ver7.d Verif. test 7 input file 119
NEA1346_01.020 ver8.d Verif. test 8 input file 108
NEA1346_01.021 ver9.d Verif. test 9 input file 167
NEA1346_01.022 ver10.d Verif. test 10 input file 111
NEA1346_01.023 ver11.d Verif. test 11 input file 89
NEA1346_01.024 ver1.d Verif. test 1 output 258
NEA1346_01.025 ver2.d Verif. test 2 output 202
NEA1346_01.026 ver3.d Verif. test 3 output 211
NEA1346_01.027 ver4.d Verif. test 4 output 1598
NEA1346_01.028 ver5.d Verif. test 5 output 643
NEA1346_01.029 ver6.d Verif. test 6 output 937
NEA1346_01.030 ver7.d Verif. test 7 output 758
NEA1346_01.031 ver8.d Verif. test 8 output 707
NEA1346_01.032 ver9.d Verif. test 9 output 2218
NEA1346_01.033 ver10.d Verif. test 10 output 2433
NEA1346_01.034 ver11.d Verif. test 11 output 4420
NEA1346_01.035 excase.res example case output 572
NEA1346_01.036 ver1.log log file for test 1 6
NEA1346_01.037 ver2.log log file for test 2 6
NEA1346_01.038 ver3.log log file for test 3 6
NEA1346_01.039 ver4.log log file for test 4 6
NEA1346_01.040 ver5.log log file for test 5 6
NEA1346_01.041 ver6.log log file for test 6 6
NEA1346_01.042 ver7.log log file for test 7 6
NEA1346_01.043 ver8.log log file for test 8 6
NEA1346_01.044 ver9.log log file for test 9 6
NEA1346_01.045 ver10 log log file for test 10 6
NEA1346_01.046 ver11 log log file for test 11 6
NEA1346_01.047 excase.log log file for excase 6
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17. CATEGORIES
  • R. Environmental and Earth Sciences

Keywords: chemical effluents, environmental transport, geochemistry, porous materials, radionuclide migration.