Ion effect on interfacial properties of CO<sub>2</sub>-brine system

JI Jiayuan; ZHAO Lingling; LI Siyu

doi:10.11949/j.issn.0438-1157.20160771

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Ion effect on interfacial properties of CO₂-brine system

更新时间：2025-11-26

- Ion effect on interfacial properties of CO₂-brine system
- CIESC Journal Issue 1, Pages: 223-229(2017)
- 作者机构：
  
  东南大学能源与环境学院, 能源热转换及其过程测控教育部重点实验室,江苏,南京,210096
- 作者简介：
- 基金信息：
- DOI：10.11949/j.issn.0438-1157.20160771
  CLC： Q021.2
- Online First：05 January 2017，
  
  Published：05 January 2017
- 稿件说明：
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JI Jiayuan, ZHAO Lingling, LI Siyu. Ion effect on interfacial properties of CO₂-brine system[J]. CIESC Journal, 2017, (1): 223-229. DOI: 10.11949/j.issn.0438-1157.20160771.
DOI：

JI Jiayuan, ZHAO Lingling, LI Siyu. Ion effect on interfacial properties of CO₂-brine system[J]. CIESC Journal, 2017, (1): 223-229. DOI: 10.11949/j.issn.0438-1157.20160771. DOI：

摘要

应用分子动力学模拟的方法对不同浓度及组分比例的CO2-NaCl、CO2-CaCl2和CO2-（NaCl+CaCl2）等CO2-盐水系统的界面张力进行了研究，从分子层面上分析了不同种类的盐离子对界面张力的影响。结果表明，盐离子的存在会增加CO2-纯水的界面张力，界面张力增量主要由阳离子电荷数导致，其余则由阳离子兰纳-琼斯势参数、原子质量等原子特性参数引起；3种系统的界面张力增量均与离子强度呈线性关系，且其曲线的斜率和盐溶液种类无关，为IFT预测提供理论指导。

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.

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Ion effect on interfacial properties of CO2-brine system

DOI：10.11949/j.issn.0438-1157.20160771

摘要

Abstract

关键词

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Ion effect on interfacial properties of CO₂-brine system