A density functional theory for colloids with two multiple bonding associating sites

被引:20
作者
Haghmoradi, Amin [1 ]
Wang, Le [1 ]
Chapman, Walter G. [1 ]
机构
[1] Rice Univ, Chem & Biomol Engn Dept, 6100 Main St, Houston, TX 77005 USA
关键词
patchy colloid; confined fluid; classical density functional theory; thermodynamics; EQUATION-OF-STATE; DIRECTIONAL ATTRACTIVE FORCES; THERMODYNAMIC PERTURBATION-THEORY; FUNDAMENTAL-MEASURE-THEORY; MONTE-CARLO SIMULATIONS; VAPOR-LIQUID-EQUILIBRIA; CHARGED CHAIN PARTICLES; FREE-ENERGY MODEL; POLYATOMIC FLUIDS; PHASE-BEHAVIOR;
D O I
10.1088/0953-8984/28/24/244009
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Wertheim's multi-density formalism is extended for patchy colloidal fluids with two multiple bonding patches. The theory is developed as a density functional theory to predict the properties of an associating inhomogeneous fluid. The equation of state developed for this fluid depends on the size of the patch, and includes formation of cyclic, branched and linear clusters of associated species. The theory predicts the density profile and the fractions of colloids in different bonding states versus the distance from one wall as a function of bulk density and temperature. The predictions from our theory are compared with previous results for a confined fluid with four single bonding association sites. Also, comparison between the present theory and Monte Carlo simulation indicates a good agreement.
引用
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页数:13
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