Ion hydration and hydrogen bond structure in NaCl solutions at temperatures and pressures for carbon dioxide sequestration: the effects of solvated CO2 molecules
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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DOI：
10.1080/00268976.2013.800244
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发表时间：
2014-01
影响因子：
1.7
通讯作者：
Cong Chen;Kun-ya Zhang;Ping Wang;W. Li;Yongchao Song;Ning Zhang
中科院分区：
文献类型：
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作者：
Cong Chen;Kun-ya Zhang;Ping Wang;W. Li;Yongchao Song;Ning Zhang
在本研究中，我们重点研究了地质介质中co2 -盐水体系的相性质。采用分子动力学模拟方法研究CO2 -卤水和CO2固存温度和压力下卤水溶液中的离子水合作用和氢键结构。通过对比CO2 -卤水溶液和卤水溶液的结果，分析和讨论了CO2溶剂化的影响。
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.