Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores

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	Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores
	Fu, Dong ; Li, Xiao-Sen
刊名	journal of chemical physics
	2006-08-28
卷号	125 期号:8 页码:84716
关键词	DENSITY-FUNCTIONAL THEORY MONTE-CARLO-SIMULATION LENNARD-JONES FLUIDS DIRECTIONAL ATTRACTIVE FORCES PAIR DISTRIBUTION THEORIES FUNDAMENTAL-MEASURE-THEORY PHYSICAL ADSORPTION SOLVATION FORCES GAS-ADSORPTION ACTIVE CARBONS
通讯作者	fudong@tsinghua.org.cn
中文摘要	the excess helmholtz free energy functional for associating hard sphere fluid is formulated by using a modified fundamental measure theory [y. x. yu and j. z. wu, j. chem. phys. 117, 10156 (2002)]. within the framework of density functional theory, the thermodynamic properties including phase equilibria for both molecules and monomers, equilibrium plate-fluid interfacial tensions and isotherms of excess adsorption, average molecule density, average monomer density, and plate-fluid interfacial tension for four-site associating hard sphere fluids confined in slit pores are investigated. the phase equilibria inside the hard slit pores and attractive slit pores are determined according to the requirement that temperature, chemical potential, and grand potential in coexistence phases should be equal and the plate-fluid interfacial tensions at equilibrium states are predicted consequently. the influences of association energy, fluid-solid interaction, and pore width on phase equilibria and equilibrium plate-fluid interfacial tensions are discussed.
英文摘要	the excess helmholtz free energy functional for associating hard sphere fluid is formulated by using a modified fundamental measure theory [y. x. yu and j. z. wu, j. chem. phys. 117, 10156 (2002)]. within the framework of density functional theory, the thermodynamic properties including phase equilibria for both molecules and monomers, equilibrium plate-fluid interfacial tensions and isotherms of excess adsorption, average molecule density, average monomer density, and plate-fluid interfacial tension for four-site associating hard sphere fluids confined in slit pores are investigated. the phase equilibria inside the hard slit pores and attractive slit pores are determined according to the requirement that temperature, chemical potential, and grand potential in coexistence phases should be equal and the plate-fluid interfacial tensions at equilibrium states are predicted consequently. the influences of association energy, fluid-solid interaction, and pore width on phase equilibria and equilibrium plate-fluid interfacial tensions are discussed. (c) 2006 american institute of physics.
WOS标题词	science & technology ; physical sciences
类目[WOS]	physics, atomic, molecular & chemical
研究领域[WOS]	physics
关键词[WOS]	density-functional theory ; monte-carlo-simulation ; lennard-jones fluids ; directional attractive forces ; pair distribution theories ; fundamental-measure-theory ; physical adsorption ; solvation forces ; gas-adsorption ; active carbons
收录类别	SCI
语种	英语
WOS记录号	WOS:000240237000058
公开日期	2010-09-30
内容类型	期刊论文
源URL	[http://ir.giec.ac.cn/handle/344007/3516]
专题	中国科学院广州能源研究所
作者单位	1.N China Elect Power Univ, Sch Environm Sci & Engn, Baoding 071003, Peoples R China 2.Chinese Acad Sci, Guangzhou Inst Energy Convers, Guangzhou 510640, Peoples R China
推荐引用方式 GB/T 7714	Fu, Dong,Li, Xiao-Sen. Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores[J]. journal of chemical physics,2006,125(8):84716.
APA	Fu, Dong,&Li, Xiao-Sen.(2006).Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores.journal of chemical physics,125(8),84716.
MLA	Fu, Dong,et al."Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores".journal of chemical physics 125.8(2006):84716.