last modified: 15-JUN-1988 | catalog | categories | new | search |

NEA-0903 COLUMN2.

COLUMN, 1-D Migration for Various Physical Chemical Processes

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1. NAME OR DESIGNATION OF PROGRAM:  COLUMN2.
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2. COMPUTERS
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Program name Package id Status Status date
COLUMN-2 NEA-0903/02 Tested 15-JUN-1988

Machines used:

Package ID Orig. computer Test computer
NEA-0903/02 BURROUGHS 7800 DEC VAX 11/780
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3. DESCRIPTION OF PROBLEM OR FUNCTION

COLUMN2 is designed for studies of the effects various physicochemical processes on migration in one dimension. It solves the transport equation and can take into account dispersion, sorption, ion exchange, first and second order homogeneous chemical reactions. Spacial variations of input pulses and retention factors are possible.
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4. METHOD OF SOLUTION

The method of solution is based on a finite difference discretion followed by the application of the method of characteristics and two separate grid systems.
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

For computational reasons the number of components has been limited to 5 and the maximum number of second order reactions is 10. However, a redimensioning of all relevant arrays will allow for any number of components and reactions desired. Arrays should never be dimensioned larger than needed in order to save computation time. Five components and 10 second order reactions may seem a small number. However, larger simulations are often divided into smaller subproblems for clarification purposes. The maximum number of grid points, default value 801, may be enlarged to redimensioning all relevant arrays.
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6. TYPICAL RUNNING TIME

Test examples 3A through 3E have a typical CPU-time of 1 minute.
NEA-0903/02
NEA-DB ran the test cases included in this package on IBM 3090 and VAX-11/780 computers. Execution times varied between 11 seconds and 6 minutes on the VAX; and between < 1 second and 2.5 minutes on IBM.
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7. UNUSUAL FEATURES OF THE PROGRAM

The program is unusually simple and at the same time extremely general.
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8. RELATED AND AUXILIARY PROGRAMS

COLUMN2 is an extention of the first COLUMN program. A program, COLUMNINPUT, for easier construction of input-files has been made after the occurrence of the report EUR 10120 EN. However, this program uses some very special features of the Burroughs B7800 and Risoe Computer Library (RCL).
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9. STATUS
Package ID Status date Status
NEA-0903/02 15-JUN-1988 Tested at NEADB
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10. REFERENCES:
NEA-0903/02, included references:
- Ole John Nielsen, Peter Bo and Lars Carlsen:
  COLUMN2 - A Computer Program for Simulating Migration.
  Risoe-R-514  (October 1985)
- Steen Rahbek, Soren Frederiksen and Erik Hansen:
  Risoe Interactive Graphics System >>RIGS<<.
  Risoe-M-2605 (October 1986)
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11. MACHINE REQUIREMENTS:  There are no special machine requirements.
NEA-0903/02
Main storage requirements to run the test cases are: 400K bytes (IBM 3090); 680 - 758 pages of peak working set size and  1361 - 1489 pages of peak page file size with Versatec graphics o/p  selected (VAX-11/780>).
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-0903/02 FORTRAN-77
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13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED

COLUMN2 uses an integration routine, SPLINT, form RCL. It should be no problem to import or substitute SPLINT which evaluates the integral of a tabulated function in non-equidistant points using cubic spline quadrature. COLUMN2 also uses Risoe Interactive Graphics System (RIGS). The unavailability of RIGS on another computer may cause more serious problems. However, the old COLUMN program has a plotting procedure which uses only standard plot expressions, e.g. "plotline".
NEA-0903/02
MVS/XA (IBM 3090); VMS V4.6 (VAX-11/780).
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS:
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15. NAME AND ESTABLISHMENT OF AUTHOR

          Ole John Nielsen, Lars Carlsen and Peter Bo.
          Chemistry Department
          Risoe National Laboratory
          4000 Roskilde, Denmark
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16. MATERIAL AVAILABLE
NEA-0903/02
File name File description Records
NEA0903_02.001 Information file 181
NEA0903_02.002 COLUMN2 FORTRAN-77 source 856
NEA0903_02.003 Integration package FORTRAN-77 source 943
NEA0903_02.004 FORTRAN DIGLIB/VMS interface routine (VAX) 199
NEA0903_02.005 JCL for IBM testing 80
NEA0903_02.006 Input data, problem 1 25
NEA0903_02.007 Input data, problem 2 26
NEA0903_02.008 Input data, problem 3A 28
NEA0903_02.009 Input data, problem 3B 28
NEA0903_02.010 Input data, problem 3C 29
NEA0903_02.011 Input data, problem 3D 28
NEA0903_02.012 Input data, problem 3E 28
NEA0903_02.013 Input data, problem 4A 25
NEA0903_02.014 Input data, problem 4B 25
NEA0903_02.015 Input data, problem 5A 29
NEA0903_02.016 Input data, problem 6A 32
NEA0903_02.017 Input data, problem 6C 32
NEA0903_02.018 Unit 6 output, problems 5A,6A (VAX,IBM) 455
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17. CATEGORIES
  • R. Environmental and Earth Sciences
  • U. Chemistry
  • W. Physics

Keywords: absorption, chemical reactions, dispersions, geochemistry, ion exchange, radionuclide migration.