Molecular simulation study on K^＋-Cl^- ion pair in geological fluids

来源 :中国地球化学学报：英文版 | 被引量 : 0次 | 上传用户：yongz

【摘要】

：

This paper reports a classical molecular dynamics study of the potential of mean forces(PMFs),association constants,microstructures K~+-Cl~- ion pair in supercr

【作者】

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Mengjia He Xiandong Liu Xianca

【机构】

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StateKeyLaboratoryforMineralDepositsResearch

【出处】

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中国地球化学学报：英文版

【发表日期】

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2017年1期

【基金项目】

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We acknowledge National Science Foundation of China （Nos. 41222015, 41273074, 41425009, and 41572027）, Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund （the s

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This paper reports a classical molecular dynamics study of the potential of mean forces(PMFs),association constants,microstructures K~+-Cl~- ion pair in supercritical fluids.The constrained MD method is used to derive the PMFs of K~+-Cl~- ion pair from 67

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Molecular simulation study on K^＋-Cl^- ion pair in geological fluids

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