温度及压强对CO2-盐水系统界面张力的影响

doi:10.11949/j.issn.0438-1157.20161837

化工学报 ›› 2017, Vol. 68 ›› Issue (7): 2880-2885.DOI: 10.11949/j.issn.0438-1157.20161837

温度及压强对CO₂-盐水系统界面张力的影响

季佳圆, 赵伶玲, 李偲宇

东南大学能源热转换及其过程测控教育部重点实验室, 能源与环境学院, 江苏南京 210096

收稿日期:2016-12-30 修回日期:2017-03-14 出版日期:2017-07-05 发布日期:2017-07-05
通讯作者: 赵伶玲
基金资助:
国家自然科学基金项目（51106027）。

Temperature and pressure effect on interfacial tensions of CO₂-brine system

JI Jiayuan, ZHAO Lingling, LI Siyu

Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education, School of Energy & Environment,Southeast University, Nanjing 210096, Jiangsu, China

Received:2016-12-30 Revised:2017-03-14 Online:2017-07-05 Published:2017-07-05
Contact: 10.11949/j.issn.0438-1157.20161837
Supported by:
supported by the National Natural Science Foundation of China (51106027).

摘要/Abstract

摘要：

在超临界态CO₂封存于深部盐水层过程中，温度、压强等控制条件是影响封存效率和封存量的重要因素。应用分子动力学模拟的方法对343～373 K和6～35 MPa范围内的CO₂-NaCl盐水系统进行了界面张力（IFT）及界面特性的研究，分析了IFT随温度及压强的变化关系，并观测到了压力平衡点p_plateau；从分子尺度（物质密度、界面过余量、界面水合物密度）分析了IFT随压强、温度的变化，以及p_plateau产生的原因。结果表明，p_plateau前压强升高或温度降低将导致CO₂密度升高，IFT下降，而p_plateau后IFT趋于稳定且受温度影响较小；CO₂的界面过余量及界面处水合物数量随压强及温度变化，与IFT的变化相反；高压下界面水合物密度的饱和现象可能是p_plateau产生的重要原因。

关键词: CO₂-盐水系统, 界面张力, 分子模拟, 温度, 压强, 水合物

Abstract:

Temperature and pressure are important effect factors of the efficiency and quantity of CO₂ storage in the deep saline aquifers. Molecular dynamics (MD) simulation is applied to investigate the CO₂-NaCl systems in 343-373 K and 6-35 MPa, the interfacial tensions (IFT) which are obtained from the simulations are consistent with experimental results and the pressure balance point p_plateauare observed as well in this paper. Meanwhile, the interfacial tension variations with the temperature and pressure are analyzed and the reasons of p_plateau from the molecular viewpoint are explained. The results show that the pressure rise and temperature decline will increase CO₂ density and decrease IFT before p_plateau, but after p_plateau the IFT will be stable and less affected by temperature. In addition, the changes of CO₂ surface excess and the hydrate quantities with temperature and pressure showed the opposite trend compared with IFT variations, the saturation phenomena of hydrates at the interface under high pressure may be the fundamental reason of p_plateau.

Key words: CO₂-brine system, interfacial tension, molecular simulation, temperature, pressure, hydrates

中图分类号:

TQ021.2

季佳圆, 赵伶玲, 李偲宇. 温度及压强对CO₂-盐水系统界面张力的影响[J]. 化工学报, 2017, 68(7): 2880-2885.

JI Jiayuan, ZHAO Lingling, LI Siyu. Temperature and pressure effect on interfacial tensions of CO₂-brine system[J]. CIESC Journal, 2017, 68(7): 2880-2885.

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温度及压强对CO₂-盐水系统界面张力的影响

Temperature and pressure effect on interfacial tensions of CO₂-brine system

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