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Phase Equilibria of hydrogen bonding fluid in a Slit Pore with Broken Symmetry

Chinese Journal of Chemical Physics 2015年第3期28卷 288-294,I0001页

作者： Xiao-yu Liu Jiang-tao Li Fang Gu Hai-jun Wang College of Chemistry and Environmental Science Hebei University Baoding 071002 China Chemical Biology Key Laboratory of Hebei Province Hebei University Baoding 071002 China Key Laboratory of Medical Chemistry and Molecular Diagnosis Ministry of Education BaodinE 071002 China

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.

关键词： hydrogen bonding fluid Broken symmetry Phase equilibria Density functional theory

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Statistical theory for a hydrogen bonding fluid system of A_aD_d type (Ⅳ): Depletion potential between colloid particles

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Science China Chemistry 2012年第6期55卷 1160-1166页

作者： GU Fang WANG HaiJun LI JiangTao College of Chemistry and Environment Science Hebei University Baoding 071002 China Key Laboratory of Medicinal Chemistry and Molecular Diagnosis Ministry of Education Hebei University Baoding 071002 China Chemical Biology Key Laboratory of Hebei Province Hebei University Baoding 071002 China International Centre for Materials Physics Chinese Academy of Sciences Shenyang 110016 China

The depletion potential between two colloid particles immersed in a hydrogen bonding fluid has been investigated by density functional theory. The study is motivated by the wide applications of hydrogen bonding fluids in the field of colloid science, and the effects of relevant factors on the depletion potential and depletion force between colloid particles have been studied. These factors include the size ratio of the colloid particle to the fluid molecule, the bulk density of the fluid, the functionality (the number of proton acceptors a and proton donors d) and hydrogen bonding strength as well as the colloid-fluid interaction energy. By comparing the depletion potential calculated under various conditions, it is shown that the effects of these factors on the depletion potential are very significant, and in particular in regulating the depletion force and its range.

关键词： hydrogen bonding fluid depletion potential density functional theory colloid particle

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