EQ6, a computer program for reaction path modeling of aqueous geochemical systems: Theoretical manual, user`s guide, and related documentation (Version 7.0); Part 4
作者： T.J. Wolery , S.A. Daveler
DOI: 10.2172/138820
关键词:
摘要: EQ6 is a FORTRAN computer program in the EQ3/6 software package (Wolery, 1979). It calculates reaction paths (chemical evolution) reacting water-rock and water-rock-waste systems. Speciation aqueous solution an integral part of these calculations. computes models titration processes (including fluid mixing), irreversible closed systems, some simple kinds open heating or cooling processes, as well solve ``single-point`` thermodynamic equilibrium problems. A path calculation normally involves sequence Chemical evolution driven by set reactions (i.e., out equilibrium) and/or changes temperature pressure. These usually represent dissolution precipitation minerals other solids. The code appearance disappearance phases solubility with water. finds identities automatically. user may specify which potential are allowed to form not. There option fix fugacities specified gas species, simulating contact large external reservoir. Rate laws for be either relative rates actual rates. If any used, has time frame. Several forms rate programmed into code. presently able model both mineral growth kinetics.
core.ac.uk
osti.gov
sci-hub.st 参考文章(57)
D.R. Janecky, Serpentinization reaction pathways: implications for modeling approach ,(1986)
S.A. Daveler, T.J. Wolery, EQPT, a data file preprocessor for the EQ3/6 software package: User`s guide and related documentation (Version 7.0); Part 2 Other Information: PBD: 17 Dec 1992. ,(1992) , 10.2172/138639
H. C. Helgeson, D. H. Kirkham, Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures; I, Summary of the thermodynamic/electrostatic properties of the solvent American Journal of Science. ,vol. 274, pp. 1089- 1198 ,(1974) , 10.2475/AJS.274.10.1089
Ingmar Grenthe, Jean Fuger, Rudy JM Konings, Robert J Lemire, Anthony B Muller, Chinh Nguyen-Trung, Hans Wanner, Chemical thermodynamics of uranium North-Holland , Distributors for the United States and Canada, Elsevier Science Pub. Co.. ,(1992)
J.E. Harrar, J.F. Carley, W.F. Isherwood, E. Raber, Report of the committee to review the use of J-13 well water in Nevada Nuclear Waste Storage Investigations Other Information: PBD: Jan 1990. ,(1990) , 10.2172/137644
Roland Wollast, Lei Chou, Kinetic Study of The Dissolution of Albite with a Continuous Flow-Through Fluidized Bed Reactor The chemistry of Weathering. pp. 75- 96 ,(1985) , 10.1007/978-94-009-5333-8_5
Eurybiades Busenberg, The products of the interaction of feldspars with aqueous solutions at 25°C Geochimica et Cosmochimica Acta. ,vol. 42, pp. 1679- 1686 ,(1978) , 10.1016/0016-7037(78)90256-9
Everett L. Shock, Eric H. Oelkers, James W. Johnson, Dimitri A. Sverjensky, Harold C. Helgeson, Calculation of the thermodynamic properties of aqueous species at high pressures and temperatures. Effective electrostatic radii, dissociation constants and standard partial molal properties to 1000 °C and 5 kbar Journal of the Chemical Society, Faraday Transactions. ,vol. 88, pp. 803- 826 ,(1992) , 10.1039/FT9928800803
Gerhard Furrer, Werner Stumm, The coordination chemistry of weathering: I. Dissolution kinetics of δ-Al2O3 and BeO Geochimica et Cosmochimica Acta. ,vol. 50, pp. 1847- 1860 ,(1986) , 10.1016/0016-7037(86)90243-7
Mark H Reed, Calculation of multicomponent chemical equilibria and reaction processes in systems involving minerals, gases and an aqueous phase Geochimica et Cosmochimica Acta. ,vol. 46, pp. 513- 528 ,(1982) , 10.1016/0016-7037(82)90155-7