Penetration and Displacement Behavior of N-2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation

doi:10.3390/molecules26175168

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	Penetration and Displacement Behavior of N-2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation
	Jiang, Zhibin 1,2; Sima, Liqiang 1; Qi, Lisha 2; Wang, Xiaoguang 2; Wang, Jie2 ; Leng ZP(冷振鹏)3,4; Zhao, Tianpeng 4
通讯作者	Jiang, Zhibin(zhaizhai20212021@163.com)
发表期刊	MOLECULES
	2021-09-01
卷号	26 期号:17 页码:9
摘要	The penetration and displacement behavior of N-2 molecules in porous interlayer structures containing a water/salt component with porosities of 4.29%, 4.73%, 5.17%, 7.22%, and 11.38% were explored using molecular dynamics simulations. The results demonstrated that the large porosity of the interlayer structures effectively enhanced the permeation and diffusion characteristics of N-2. The water and salt in the interlayer structures were displaced during the injection of N-2 in the porosity sequence of 4.29% < 4.73% < 5.17% < 7.22% < 11.38%. The high permeance of 7.12 x 10(-6) indicated that the interlayer structures with a porosity of 11.38% have better movability. The strong interaction of approximately 15 kcal/mol between N-2 and H2O had a positive effect on the diffusion of N-2 and the displacement of H2O before it reached a stable equilibrium state. The distribution of N-2 in porous interlayer structures and the relationship between the logarithm of permeability and breakthrough pressure were presented. This work highlighted the effects of porosity on the permeability and diffusion of N-2/H2O in the interlayer, thus providing theoretical guidance for the development of petroleum resources.
关键词	molecular dynamics simulation penetration and displacement porous interlayer structures
DOI	10.3390/molecules26175168
收录类别	SCI
语种	英语
WOS记录号	WOS:000694421900001
关键词[WOS]	SEPARATION ; MEMBRANES ; FLOW
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry
WOS类目	Biochemistry & Molecular Biology ; Chemistry, Multidisciplinary
资助项目	PetroChina Exploration and Production Company Project[kt2021-08-04]
项目资助者	PetroChina Exploration and Production Company Project
论文分区	二类
力学所作者排名	3+
RpAuthor	Jiang, Zhibin
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/87403
专题	流固耦合系统力学重点实验室
作者单位	1.Southwest Petr Univ, Sch Geosci & Technol, Chengdu 610500, Peoples R China; 2.PetroChina Xinjiang Oilfield Co, Res Inst Explorat & Dev, Karamay 834000, Peoples R China; 3.Chinese Acad Sci, Inst Mech, Beijing 100190, Peoples R China; 4.Oleum Technol Beijing Co Ltd, Beijing 102206, Peoples R China
推荐引用方式 GB/T 7714	Jiang, Zhibin,Sima, Liqiang,Qi, Lisha,et al. Penetration and Displacement Behavior of N-2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation[J]. MOLECULES,2021,26,17,:9.
APA	Jiang, Zhibin.,Sima, Liqiang.,Qi, Lisha.,Wang, Xiaoguang.,Wang, Jie.,...&Zhao, Tianpeng.(2021).Penetration and Displacement Behavior of N-2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation.MOLECULES,26(17),9.
MLA	Jiang, Zhibin,et al."Penetration and Displacement Behavior of N-2 in Porous Interlayer Structures Containing Water/Salt Component by Molecular Dynamics Simulation".MOLECULES 26.17(2021):9.

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