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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 | |
| 2006-08-28 | |
| Source Publication | JOURNAL OF CHEMICAL PHYSICS
 |
| Volume | 125Issue:8Pages:84716 |
| Corresponding Author | fudong@tsinghua.org.cn |
| Abstract | 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. |
| Subtype | Article |
| Other Abstract | 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. |
| Keyword | 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 |
| WOS Headings | Science & Technology ; Physical Sciences |
| DOI | 10.1063/1.2337577 |
| WOS Subject Extended | Physics |
| WOS Keyword | 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 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Subject | Physics, Atomic, Molecular & Chemical |
| WOS ID | WOS:000240237000058 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.giec.ac.cn/handle/344007/3516 |
| Collection | 中国科学院广州能源研究所 |
| Affiliation | 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 |
| Recommended Citation 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. |
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