Chemical speciation code CHEMSPEC and its applications
Chemical speciation code CHEMSPEC and its applications
复制标题
化学形态代码CHEMSPEC及其应用
DOI：
10.1007/s11426-009-0263-0
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发表时间：
2009-11
期刊：
影响因子：
--
通讯作者：
Chen Tao
中科院分区：
文献类型：
--
作者：
Wang XiangYun;Liu ChunLi;Chen Tao
The adsorption and migration behavior of a radionuclide in geological media heavily depends on its chemical forms in a given chemical environment. In order to predict the temporal and spatial distribution of radionuclides around a disposal site when its canister is damaged, it is necessary to develop coupled chemical speciation-solute transport models and relevant software. For that reason, we wrote a new chemical speciation program CHEMSPEC. In this paper, the principles and structure of CHEMSPEC are briefly described, and the strategy and algorithms that were used in this code are interpreted in some detail, such as the measures adopted to prevent divergence in iteratively solving the mass balance equations, the “predictor-corrector” algorithm for calculation of the number and quantities of solid species formed, and the alternate use of “freezing” and “defreezing” oxidation states in handling of co-existent redox and precipitation equilibria. Four examples are given to illustrate CHEMSPEC’s features and capabilities.
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影响因子：
1.8
作者：
M. H. Lee;Y. Yoon;S. Clark;S. Glover
通讯作者：
M. H. Lee;Y. Yoon;S. Clark;S. Glover
DOI：
10.3133/ofr91183
发表时间：
1991
期刊：
--
影响因子：
--
作者：
J. W. Ball;D. Nordstrom
通讯作者：
J. W. Ball;D. Nordstrom
影响因子：
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作者：
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通讯作者：
M. Yui;D. Rai;M. Ochs;M. Shibata
影响因子：
1.2
作者：
T. Wolery
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T. Wolery
影响因子：
1.5
作者：
P. Rosen
通讯作者：
P. Rosen