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题名: Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media
作者: Chen, W ;  Zhao, SL ;  Holovko, M ;  Chen, XS ;  Dong, W
刊名: JOURNAL OF PHYSICAL CHEMISTRY B
出版日期: 2016
卷号: 120, 期号:24, 页码:5491-5504
学科分类: Chemistry
DOI: http://dx.doi.org/10.1021/acs.jpcb.6b02957
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.
文章类型: Article
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.
类目[WOS]: Chemistry, Physical
关键词[WOS]: SYSTEMS ;  STATE
收录类别: SCI
项目资助者: CNRS-NASU [23999] ;  French government ;  Ministry of Education of China [B08021]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/21611
Appears in Collections:理论物理所2016年知识产出_期刊论文

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Recommended Citation:
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.
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