Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2014-01-02

Journal: MOLECULAR PHYSICS

Included Journals: Scopus、EI、SCIE

Volume: 112

Issue: 1

Page Number: 74-84

ISSN: 0026-8976

Key Words: CO2 sequestration; hydration; hydrogen bond

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.