化工学报2017，Vol.68Issue(1)：223-229,7.DOI:10.11949/j.issn.0438-1157.20160771
离子对CO2-盐水系统界面特性的影响
Ion effect on interfacial properties of CO2-brine system
摘要
Abstract
Interfacial tension of CO2-NaCl, CO2-CaCl2 and CO2-(NaCl+CaCl2) solution systems was studied at different salt concentration and ratio by molecular dynamics simulation, in order to understand influence of different salt ions at molecular level. The results showed that the presence of salt ions increased interfacial tension between CO2 and water, which majority was caused by number of cationic charges and the rest was by cation atomic properties such as Lennard Jones potential parameters and atomic mass. The interfacial tension increment of these three systems were all linearly dependent on ionic strength, but the slope had no relationship to types of salt solutions. This founding would provide theoretical guidance for IFT prediction.关键词
CO2-盐水系统/界面张力/分子模拟/原子特性参数/离子强度Key words
CO2-brine system/interfacial tension/molecular simulation/atomic characteristic parameter/ionic strength分类
化学化工引用本文复制引用
季佳圆,赵伶玲,李偲宇..离子对CO2-盐水系统界面特性的影响[J].化工学报,2017,68(1):223-229,7.基金项目
国家自然科学基金项目（51106027）。 （）
