Molecular dynamics simulation of the interfacial wetting behavior of brine/ sandstone with different salinities

doi:10.1016/j.colsurfa.2021.127807

	Molecular dynamics simulation of the interfacial wetting behavior of brine/ sandstone with different salinities
	Yu, Tao 1,2; Li, Qi 1,2; Hu, Haixiang 1,2; Tan, Yongshen 1,2; Xu, Liang 1,2
刊名	COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
	2022-01-02
卷号	632 页码:10
关键词	Molecular dynamics simulation Wettability Salinity Hydration Ion association
ISSN号	0927-7757
DOI	10.1016/j.colsurfa.2021.127807
英文摘要	At present, the mechanism of the influence of salinity on wettability of reservoir rocks is still insufficient. In this paper, molecular dynamics simulation is used to study the wetting behavior of water droplets on the surface of sandstone under different salinities, and the system equilibrium configuration is used to analyze the interaction among the components of the system. To clarify the mechanism of the influence of ions on the wetting of water droplets on the sandstone surface, the distribution characteristics of anions and cations, ion hydration and the association between anions and cations in the equilibrium system were analyzed. The influence of salinity on the wettability of water droplets on the sandstone surface is comprehensively evaluated by calculating the average interaction potential between ions and water molecules, the change in cohesive energy density among particles in the brine system and the change in the number of hydrogen bonds among water molecules.
资助项目	National Natural Science Foundation of China[41872210] ; National Natural Science Foundation of China[41274111] ; Open Research Fund of State Key Laboratory of Geomechanics and Geotechnical Engineering[Z018004]
WOS研究方向	Chemistry
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000718811500003
内容类型	期刊论文
源URL	[http://119.78.100.198/handle/2S6PX9GI/28290]
专题	中科院武汉岩土力学所
通讯作者	Li, Qi
作者单位	1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China
推荐引用方式 GB/T 7714	Yu, Tao,Li, Qi,Hu, Haixiang,et al. Molecular dynamics simulation of the interfacial wetting behavior of brine/ sandstone with different salinities[J]. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,2022,632:10.
APA	Yu, Tao,Li, Qi,Hu, Haixiang,Tan, Yongshen,&Xu, Liang.(2022).Molecular dynamics simulation of the interfacial wetting behavior of brine/ sandstone with different salinities.COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,632,10.
MLA	Yu, Tao,et al."Molecular dynamics simulation of the interfacial wetting behavior of brine/ sandstone with different salinities".COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 632(2022):10.