Paper Citing NAMD - Abstract
Chen, Cong; Zhang, Kun; Wang, Ping; Li, Wei Zhong; Song, Yong Chen; Zhang, Ning
Ion hydration and hydrogen bond structure in NaCl solutions at temperatures and pressures for carbon dioxide sequestration: the effects of solvated CO2 molecules
MOLECULAR PHYSICS, 112:74-84, JAN 2 2014
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.
