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


Autoria(s): Fu D (Fu, Dong); Li XS (Li, Xiao-Sen)
Data(s)

2006

Resumo

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.

Identificador

http://ir.giec.ac.cn/handle/344007/3516

http://www.irgrid.ac.cn/handle/1471x/70362

Idioma(s)

英语

Fonte

Fu D (Fu, Dong);Li XS (Li, Xiao-Sen).Phase equilibria and plate-fluid interfacial tensions for associating hard sphere fluids confined in slit pores,JOURNAL OF CHEMICAL PHYSICS,2006,125(8):84716

Palavras-Chave #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
Tipo

期刊论文