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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.
Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
Language英语
AbstractThe 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.
2016
Volume120Issue:24Pages:5491-5504
Subject AreaChemistry
DOIhttp://dx.doi.org/10.1021/acs.jpcb.6b02957
Indexed BySCI
Funding OrganizationCNRS-NASU [23999] ; CNRS-NASU [23999] ; CNRS-NASU [23999] ; CNRS-NASU [23999] ; French government ; French government ; French government ; French government ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021] ; Ministry of Education of China [B08021]
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/21611
Collection理论物理所科研产出_SCI论文
Corresponding AuthorDong, 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.
Recommended Citation
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.
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