水溶液体系的化学平衡模型

doi:10.11867/j.issn.1001-8166.1994.05.0032

地球科学进展 ›› 1994, Vol. 9 ›› Issue (5): 32 -38. doi: 10.11867/j.issn.1001-8166.1994.05.0032

水溶液体系的化学平衡模型

李军,高世扬

中国科学院盐湖研究所西宁 810008

收稿日期:1993-07-03 修回日期:1994-03-23 出版日期:1994-09-01
通讯作者: 李军

CHEMICAL MODELING OF AQUEOUS SYSTEMS

Li Jun,Gao Shiyang

Institute of Salt Lakes,Academia Sinica,Xining 810008

Received:1993-07-03 Revised:1994-03-23 Online:1994-09-01 Published:1994-09-01

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概括了化学平衡计算的历史及特点；对在地球化学研究中常用的水溶液体系化学平衡模型作了简要的介绍；讨论了水溶液体系化学平衡模型研究的现状及今后的发展动向。

关键词: 化学平衡模型, 水溶液体系, 离子活度系数, 计算机算法

The chemical model of aqueous systems is becoming a valuable tool for geochemist ininterpretation of equilibrium and kinetic phenomena of natural water systems. In this paper,the historical aspects and features,including the mathematical formalism and the thermodynamic formalism,of chemical equilibrium computation were described.The chemicalmodels used in geochemical research could be seperated into several series and were brieflyintroduced.In the past decade,few new model codes appeared and great effort was underway to improve and qualify existing models.An obvious feature of the new model is thatthese model can provide several methods to calculate the activity coefficients of aqueous so-lution from dilution to high concentration. The new concern of chemical modeling as follows: model sensitivity analysis, thermodynamic and kinetic data advancements, organic compounds, and coupling of hydrology and chemistry.

Key words: Chemical modeling, Aqueous systems, Ion activity coefficients, Computer algorithm.

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