大连理工大学主页平台管理系统张宁--张宁-- Ion hydration and hydrogen bond structure in NaCl solutions at temperatures and pressures for carbon dioxide sequestration: the effects of solvated CO2 molecules

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Ion hydration and hydrogen bond structure in NaCl solutions at temperatures and pressures for carbon dioxide sequestration: the effects of solvated CO2 molecules

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论文类型：期刊论文
发表时间：2014-01-02
发表刊物：MOLECULAR PHYSICS
收录刊物：SCIE、EI、Scopus
卷号：112
期号：1
页面范围：74-84
ISSN号：0026-8976
关键字：CO2 sequestration; hydration; hydrogen bond
摘要：In the present study, we focus on the phase properties of CO2-brine systems in geologic media. Molecular dynamics simulation methods were used to investigate the ion hydration and hydrogen bond structure in CO2-brine and brine solutions at temperatures and pressures for CO2 sequestration. By comparing the results of CO2-brine solutions with those of brine solutions, the effects of solvated CO2 were analysed and discussed.

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