ITP OpenIR  > 理论物理所2016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.
2016
发表期刊JOURNAL OF PHYSICAL CHEMISTRY B
卷号120期号:24页码:5491-5504
文章类型Article
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.
学科领域Chemistry
资助者CNRS-NASU [23999] ; CNRS-NASU [23999] ; French government ; French government ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021] ; CNRS-NASU [23999] ; CNRS-NASU [23999] ; French government ; French government ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021]
DOIhttp://dx.doi.org/10.1021/acs.jpcb.6b02957
关键词[WOS]SYSTEMS ; STATE
收录类别SCI
语种英语
资助者CNRS-NASU [23999] ; CNRS-NASU [23999] ; French government ; French government ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021] ; CNRS-NASU [23999] ; CNRS-NASU [23999] ; French government ; French government ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021]
WOS类目Chemistry, Physical
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/21611
专题理论物理所2016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.
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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.
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