Theoretical studies on racemic adsorption of tris(1,10-phenanthroline)metal(II) by a clay: Monte Carlo simulations

Theoretical studies on racemic adsorption of tris(1,10-phenanthroline)metal(II) by a clay: Monte Carlo simulations
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粘土外消旋吸附三(1,10-菲咯啉)金属(II)的理论研究:蒙特卡罗模拟

DOI:
10.1021/j100202a059
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发表时间:
1992
期刊:
影响因子:
--
通讯作者:
S. Kato
S. Kato
中科院分区:
--
文献类型:
--
作者:
Hisako Sato;A. Yamagishi;S. Kato

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用Monte Carlo模拟方法研究了粘土对三(1,10-菲咯啉)金属离子([M(phen)3 ] 2+)的吸附行为.用[SiO 4 ] 4-和[AlO 4 ] 5-四面体的二维连接片作为粘土四面体片的模型。采用大都会算法计算了300 K时的热分布
The adsorption of tris(1,10-phenanthroline)metal(II) ([M(phen) 3 ] 2+ ) by a clay is studied with Monte Carlo simulations. A two-dimensional sheet of linked [SiO 4 ] 4- and [AlO 4 ] 5- tetrahedra is used for the model tetrahedral sheet of a clay. The thermal distributions of the configurations are obtained using a Metropolis algorithm at 300 K