NEA-0903 COLUMN2.

COLUMN, 1-D Migration for Various Physical Chemical Processes

NAME OR DESIGNATION OF PROGRAM, COMPUTER, DESCRIPTION OF PROBLEM OR FUNCTION, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED, OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHOR, MATERIAL, CATEGORIES

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1. NAME OR DESIGNATION OF PROGRAM: COLUMN2.

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2. COMPUTERS

To submit a request, click below on the link of the version you wish to order. Only liaison officers are authorised to submit online requests. Rules for requesters are available here.

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.