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Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores
Wu Huijie; Li Xiaosen
2010-09-14
Source PublicationACTA CHIMICA SINICA
Volume68Issue:17Pages:1681-1686
AbstractThe phase behaviors of two-site associating Lennard-Jones(LJ) fluid confined in slit pores were investigated by using the modified fundamental measure theory (MFMT) and density functional theory (DFT). The phase equilibria were determined according to the requirement that temperature, chemical potential and grand potential in both phases should be equal. The influences of association energy and pore width on the thermodynamic properties including equilibrium density distributions of molecules and monomers, adsorption and desorption isotherms, and vapor-liquid coexistence were demonstrated.
SubtypeArticle
KeywordTwo-site Associating Lennard-jones Fluid Slit Pore Phase Behavior Density Functional Theory
WOS HeadingsScience & Technology ; Physical Sciences
WOS Subject ExtendedChemistry
WOS KeywordDENSITY-FUNCTIONAL THEORY ; FUNDAMENTAL-MEASURE-THEORY ; INTERFACIAL PROPERTIES ; ADSORPTION PREDICTION ; SURFACE-TENSION ; GAS-ADSORPTION ; ACTIVE CARBONS ; SOLID-SURFACES ; EQUILIBRIA ; TRANSITIONS
Indexed BySCI
Language英语
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000284511400003
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Document Type期刊论文
Identifierhttp://ir.giec.ac.cn/handle/344007/10314
Collection中国科学院广州能源研究所
AffiliationChinese Acad Sci, Guangzhou Inst Energy Convers, CAS, Key Lab Renewable Energy & Gas Hydrate, Guangzhou 510640, Guangdong, Peoples R China
Recommended Citation
GB/T 7714
Wu Huijie,Li Xiaosen. Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores[J]. ACTA CHIMICA SINICA,2010,68(17):1681-1686.
APA Wu Huijie,&Li Xiaosen.(2010).Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores.ACTA CHIMICA SINICA,68(17),1681-1686.
MLA Wu Huijie,et al."Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores".ACTA CHIMICA SINICA 68.17(2010):1681-1686.
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