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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| Authors: | Cong Chen Kun Zhang Ping Wang Wei Zhong Li Yong Chen Song Ning Zhang |
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| Institution: | 1. Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, Dalian University of Technology, Dalian 116024, P.R. China;2. School of Ocean and Civil Engineering, Dalian Ocean University, Dalian 116021, P.R. China |
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| Abstract: | 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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| Keywords: | CO2 sequestration hydration hydrogen bond |
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