HYDROGEOCHEM: A coupled model of HYDROlogic transport and GEOCHEMical equilibria in reactive multicomponent systems
HYDROGEOCHEM: A coupled model of HYDROlogic transport and GEOCHEMical equilibria in reactive multicomponent systems
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水文化学：反应性多组分系统中水文传输和地球化学平衡的耦合模型
DOI：
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发表时间：
1990
期刊：
影响因子：
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通讯作者：
V. Tripathi
中科院分区：
文献类型：
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作者：
G. Yeh;V. Tripathi
本报告介绍了多组分系统水文地球化学输运模型的发展。该模型适用于适当的水文环境，适应完整的地球化学平衡过程，易于扩展到处理化学动力学，和最少的计算机资源的限制。该模型适用的水文环境是非均质、各向异性、饱和-非饱和的地下介质，无论是瞬态流还是稳态流。该模型包括的地球化学平衡过程有水溶液络合、吸附-解吸、离子交换、沉淀-溶解、氧化还原和酸碱反应。为了实现列入这些地球化学过程的全部补充，所有化学成分的总分析浓度被选为水文输运方程中的主要因变量。这种选择的附带好处是使模型的扩展，以处理吸附-解吸，离子交换，沉淀溶解和氧化还原的动力学相对容易。为了使水文输运与地球化学平衡迭代过程中出现负浓度的可能性最小，提出了一种隐式输运方程。为了减轻严重的限制，计算机资源的中央处理器（CPU）的时间和CPU内存，各种可选的数值方案被纳入模型。该模型由水文输运模块和地球化学平衡模块组成。这两个模块都在代码一致性方面进行了彻底的测试，并发现产生了合理的结果。用十个算例对模型进行了验证。参考文献79篇，图21，17片«少
This report presents the development of a hydrogeochemical transport model for multicomponent systems. The model is designed for applications to proper hydrological setting, accommodation of complete suite of geochemical equilibrium processes, easy extension to deal with chemical kinetics, and least constraints of computer resources. The hydrological environment to which the model can be applied is the heterogeneous, anisotropic, saturated-unsaturated subsurface media under either transient or steady state flow conditions. The geochemical equilibrium processes included in the model are aqueous complexation, adsorption-desorption, ion exchange, precipitation-dissolution, redox, and acid-base reactions. To achieve the inclusion of the full complement of these geochemical processes, total analytical concentrations of all chemical components are chosen as the primary dependent variables in the hydrological transport equations. Attendant benefits of this choice are to make the extension of the model to deal with kinetics of adsorption-desorption, ion exchange, precipitation-dissolution, and redox relatively easy. To make the negative concentrations during the iteration between the hydrological transport and geochemical equilibrium least likely, an implicit form of transport equations are proposed. To alleviate severe constraints of computer resources in terms of central processing unit (CPU) time and CPU memory, various optional numerical schemes are incorporated in the model. The model consistsmore » of a hydrological transport module and geochemical equilibrium module. Both modules were thoroughly tested in code consistency and were found to yield plausible results. The model is verified with ten examples. 79 refs., 21 figs., 17 tabs.« less