Phase equilibria of hydrogen bonding (HB) fluid confined in a slit pore with broken symmetry were investigated by the density functional theory incorporated with modified fundamental measure theory, where the symmetry breaking originated from the distinct interactions between fluid molecules and two walls of the slit pore. In terms of adsorption-desorption isotherms and the corresponding grand potentials, phase diagrams of HB fluid under various conditions are presented. Furthermore, through phase coexistences of laying transition and capillary condensation, the effects of HB interaction, pore width, fluid-pore interaction and the broken symmetry on the phase equilibrium properties are addressed. It is shown that these factors can give rise to apparent influences on the phase equilibria of confined HB fluid because of the competition between intermolecular interaction and fluid-pore interaction. Interestingly, a significant influence of broken symmetry of the slit pore is found, and thus the symmetry breaking can provide a new way to regulate the phase behavior of various confined fluids.
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June 2015
Research Article|
June 27 2015
Phase Equilibria of Hydrogen Bonding Fluid in a Slit Pore with Broken Symmetry Available to Purchase
Xiao-yu Liu;
Xiao-yu Liu
aCollege of Chemistry and Environmental Science,
Hebei University
, Baoding 071002, China
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Jiang-tao Li;
Jiang-tao Li
aCollege of Chemistry and Environmental Science,
Hebei University
, Baoding 071002, China
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Fang Gu;
Fang Gu
*
aCollege of Chemistry and Environmental Science,
Hebei University
, Baoding 071002, China
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Hai-jun Wang
Hai-jun Wang
*
aCollege of Chemistry and Environmental Science,
Hebei University
, Baoding 071002, China
bChemical Biology Key Laboratory of Hebei Province,
Hebei University
, Baoding 071002, China
cKey Laboratory of Medical Chemistry and Molecular Diagnosis,
Ministry of Education
, Baoding 071002, China
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Xiao-yu Liu
1
Jiang-tao Li
1
Fang Gu
1,*
Hai-jun Wang
1,2,3,*
aCollege of Chemistry and Environmental Science,
Hebei University
, Baoding 071002, China
bChemical Biology Key Laboratory of Hebei Province,
Hebei University
, Baoding 071002, China
cKey Laboratory of Medical Chemistry and Molecular Diagnosis,
Ministry of Education
, Baoding 071002, China
*
Authors to whom correspondence should be addressed. E-mail: [email protected], [email protected]
Chin. J. Chem. Phys. 28, 288–294 (2015)
Article history
Received:
January 04 2015
Accepted:
January 29 2015
Citation
Xiao-yu Liu, Jiang-tao Li, Fang Gu, Hai-jun Wang; Phase Equilibria of Hydrogen Bonding Fluid in a Slit Pore with Broken Symmetry. Chin. J. Chem. Phys. 27 June 2015; 28 (3): 288–294. https://doi.org/10.1063/1674-0068/28/cjcp1501001
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