Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media

doi:http://dx.doi.org/10.1021/acs.jpcb.6b02957

CORC > 理论物理研究所 > 中国科学院理论物理研究所 > 理论物理所科研产出 > 理论物理所1978-2010年知识产出

	Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media
	Chen, W; Zhao, SL; Holovko, M; Chen, XS; Dong, W; Dong, W (reprint author), Univ Lyon 1, CNRS, Ecole Normale Super Lyon, UMR 5182,Lab Chim, 46 Allee Italie, F-69364 Lyon 07, France.; Dong, W (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, POB 2735, Beijing 100190, Peoples R China.
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2016
卷号	120 期号:24 页码:5491-5504
DOI	http://dx.doi.org/10.1021/acs.jpcb.6b02957
英文摘要	The formulation of scaled particle theory (SPT) is presented for a quite general model of fluids confined in a random porous media, i.e., a multicomponent hard sphere (HS) fluid in a multicomponent hard sphere or a multicomponent overlapping hard sphere (OHS) matrix. The analytical expressions for pressure, Helmholtz free energy, and chemical potential are derived. The thermodynamic consistency of the proposed theory is established. Moreover, we show that there is an isomorphism between the SPT for a multicomponent system and that for a one-component system. Results from grand canonical ensemble Monte Carlo simulations are also presented for a binary HS mixture in a one-component HS or a one-component OHS matrix. The accuracy of various variants derived from the basic SPT formulation is appraised against the simulation results. Scaled particle theory, initially formulated for a bulk HS fluid, has not only provided an analytical tool for calculating thermodynamic properties of HS fluid but also helped to gain very useful insight for elaborating other theoretical approaches such as the fundamental measure theory (FMT). We expect that the general SPT for multicomponent systems developed in this work can contribute to the study of confined fluids in a similar way.
学科主题	Chemistry
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/21611]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Dong, W (reprint author), Univ Lyon 1, CNRS, Ecole Normale Super Lyon, UMR 5182,Lab Chim, 46 Allee Italie, F-69364 Lyon 07, France.; Dong, W (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, POB 2735, Beijing 100190, Peoples R China.
推荐引用方式 GB/T 7714	Chen, W,Zhao, SL,Holovko, M,et al. Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2016,120(24):5491-5504.
APA	Chen, W.,Zhao, SL.,Holovko, M.,Chen, XS.,Dong, W.,...&Dong, W .(2016).Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media.JOURNAL OF PHYSICAL CHEMISTRY B,120(24),5491-5504.
MLA	Chen, W,et al."Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media".JOURNAL OF PHYSICAL CHEMISTRY B 120.24(2016):5491-5504.