Orchestra: An object-oriented framework for implementing chemical equilibrium models

Environmental Science and Technology

Volumn 37, Issue 6, 2003, Pages 1175-1182

  Meeussen, Johannes C L ^a,b  

^a SCOTTISH CROP RESEARCH INSTITUTE   (United Kingdom)

^b TNO   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ALGORITHMS; COMPLEXATION; ION EXCHANGE; PRECIPITATION (CHEMICAL);

CHEMICAL EQUILIBRIUM;

ENVIRONMENTAL PROTECTION;

CHEMISTRY;

ADSORPTION; ALGORITHM; ARTICLE; CALCULATION; CHEMICAL MODEL; COMPLEX FORMATION; COMPUTER PROGRAM; ELECTRICITY; EQUILIBRIUM CONSTANT; ION EXCHANGE; KINETICS; PRECIPITATION;

ADSORPTION; ENVIRONMENTAL POLLUTANTS; FORECASTING; KINETICS; MODELS, CHEMICAL;

EID: 0037445165     PISSN: 0013936X     EISSN: None     Source Type: Journal    
DOI: 10.1021/es025597s     Document Type: Article

References (16)

1. Westall, J. C.; Zachara, J. L.; Morel, F. M. M. MINEQL, a computer program for the calculation of the chemical equilibrium composition of aqueous systems. Department of Civil Engineering, Massachusetts Institite of Technology Technical Note No. 18, 1972.
2. Allison, J. D.; Brown, D. S., and Novo-gradac, K. J. MINTEQA2, geochemical assessment model for environmental systems. Version 3. U.S. Environmental Protection Agency, Washington, DC, 1992.
3. Parkhurst, D. L.; Appelo, C. A. J., User's Guide to PHREEQC (Version 2), A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations. U.S. Geological Survey, 2002.
4. The Geochemist's Workbench version 4.0 Rockware Earth Science Software, www.rockware.com.
5. Keizer, M. G.; Van Riemsdijk, W. H. ECOSAT, a Computer Program for the Calculation of Chemical Speciation and Transport in Soil-Water Systems, Wageningen Agricultural University, 1995.
6. Tipping, E. Comput. Geosci. 1994, 20, 973-1023.
7. Kinniburgh, D. G.; Riemsdijk, W. H.; Koopal, L. K.; Borkovec, M.; Benedetti, M. F.; Avena, M. J. Colloids Surf., A 1999, 151, 147-166.
8. Benedetti, M. F.; Milne, C. J.; Kinniburgh, D. G.; Van Riemsdijk, W. H.; Koopal, L. K. Environ. Sci. Technol, 1995, 29 (2), 446-457.
9. Fish, W.; Dzombak, D. A.; Morel, F. M. M. Environ. Sci. Technol. 1986, 20 (7), 675-683.
10. Hiemstra, T.; Van Riemsdijk, W. H.; Bolt, G. H. J. Colloid Interface Sci. 1989, 133 (1), 91-104.
11. Filius, J. D.; Lumsdon, D. G.; Meeussen, J. C. L. Geochim. Cosmochim. Acta 2000, 64 (1), 51-60.
12. Meeussen, J. C. L.; Scheidegger, A.; Kleikemper, J.; Borkovec, M.; Paterson, E.; Van Riemsdijk, W. H.; Sparks, D. L. Environ. Sci. Technol. 1999, 33, 3443-3450.
13. Van Beinum, W.; Meeussen, J. C. L.; Van Riemsdijk, W. H. Environ. Sci. Technol. 2000, 34, 4902-4907.
14. Lumsdon, D. G.; Filius, J. D.; Meeussen, J. C. L., Modelling Cd binding on goethite in the presence of humic substances. In Proceedings 10th International Meeting of the International Humic Substances Society, Toulouse, France. 24-28 July 2000, Vol. 1, pp 549-552.
15. Gaines, G. L.; Thomas, H. C., J. Chem. Phys. 1953, 21, 714-718.
16. Vanselow, A. P. Soil Sci. 1932, 33, 95-113.