last modified: 03-NOV-1993 | catalog | categories | new | search |

NEA-1356 RIPP2.

RIPP2, H2O Chemistry File Generator for Program PHREEQE

top ]
1. NAME OR DESIGNATION OF PROGRAM:  RIPP2.
top ]
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
RIPP2S NEA-1356/02 Tested 03-NOV-1993

Machines used:

Package ID Orig. computer Test computer
NEA-1356/02 IBM PC PC-80486
top ]
3. DESCRIPTION OF PROGRAM OR FUNCTION

RIPP2 is a user-friendly interface for the geochemical modelling code PHREEQE. It allows the  easy creation of water chemistry files, containing the water parameters and the elements present in water. It gives the user a
choice of five data bases and subsequently gives the user the specification option available.
PHREEQE is a program for the evaluation of water chemistry and water/rock interaction. It simulates the following type of reactions:
- Addition of reactants to a solution.
- Mixing of two solutions.
- Titrating one solution with another.
- Equilibrating a solution with a mineral phase.
- Estimating solubility and speciation of an element in a solution.  - Adjusting pH to obtain charge balance.
The following thermodynamic data bases are available:
PHRTHERM: The PHREEQE data base: contains a limited range of ele-  ments. Minerals section contains data for the calcula-  tion of oxidation potentials. N, S and C redox systems             are de-coupled (31 master elements).
NA10289: Pearson's data base: the minerals section contains data  for the calculation of oxidation potential (31 master             elements).
NEWTHERM: This data base has a fully wide range of elements. All             redox systems are fully coupled (50 master elements).
HATCHES: Harwell thermodynamic data base: all redox systems fully (coupled) coupled. Am, Ni, Pd, Mo, Nb have been added (59 master             elements.
HATCHES: Harwell thermodynamic data base: N, S and C redox (decoupled) systems fully decoupled (63 master elements).
top ]
4. METHOD OF SOLUTION

PHREEQE is based on an ion-pairing acqueous model. A combination of two numerical methods are used: a continued  fraction approach for mass balance equations and a modified Newton-  Raphson method for all other equations.
top ]
5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM:  RIPP2 eliminates some of the PHREEQE options.
top ]
6. TYPICAL RUNNING TIME:
top ]
7. UNUSUAL FEATURES OF THE PROGRAM:
top ]
8. RELATED AND AUXILIARY PROGRAMS:  PHREEQE, ZZ-HATCHES.
top ]
9. STATUS
Package ID Status date Status
NEA-1356/02 03-NOV-1993 Tested at NEADB
top ]
10. REFERENCES:
NEA-1356/02, included references:
- R. Yusaf:
  RIPP2 - Programmer's Handbook
  NIB 90-40 (September 1990).
- R. Yusaf and E. Hamilton:
  Databases which have been adapted to run with RIPP2
  NIB 90-46 (September 1990).
- R. Yusaf and E. Hamilton:
  RIPP2 - User's Manual
  NIB 90-48 (DRAFT NTB 90-45) (September 1990).
- S.M. Pate:
  RIPP2S - Programmer's Handbook
  Update of NIB 90-40
  NIB 90-80 (August 1992).
top ]
11. MACHINE REQUIREMENTS

Hard disk drive is required as sufficient storage space is not available on a system with floppy disks. 1.3 M memory required: 470 k for RIPP2, 650 k for data bases and 100 k for system.
The math co-processor (80287 or 80387 chip) is not essential but effective for a speed-up of up to ten.
NEA-1356/02
The package was tested by NEA-DB on a DELL 486P/33MHz PC-compatible desktop computer with 4 MBytes of RAM.
top ]
12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-1356/02 FORTRAN-77
top ]
13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED:  DOS version 3.1 or above.
NEA-1356/02
The test cases were run under MS-DOS 5.0. The source programs were compiled using the Microsoft Fortran compiler version 5.10.
top ]
14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS:
top ]
15. NAME AND ESTABLISHMENT OF AUTHORS

          R. Yusaf
          NAGRA
          Parkstrasse 23
          CH-5401 BADEN

          E. Hamilton
          Napier Polytechnic of Edinburgh
          Edinburgh
          United Kingdom
top ]
16. MATERIAL AVAILABLE
NEA-1356/02
File name File description Records
NEA1356_02.001 RIPP2S.INF Information file 131
NEA1356_02.002 RIPPX.EXE Self-extracting archivefile 0
NEA1356_02.003 DOS file-names 2
top ]
17. CATEGORIES
  • L. Data Preparation
  • R. Environmental and Earth Sciences

Keywords: chemical reactions, data library, geochemistry, radioactive effluents, radionuclide migration, thermodynamic properties.