title: Structures and surface tensions of fluids near solid surfaces: an integral equation theory study.
abstract: In this work, integral equation theory is extended to describe the structures and surface tensions of confined fluids. To improve the accuracy of the equation, a bridge function based on the fundamental measure theory is introduced. The density profiles of the confined Lennard-Jones fluids and water are calculated, which are in good agreement with simulation data. On the basis of these density profiles, the grand potentials are then calculated using the density functional approach, and the corresponding surface tensions are predicted, which reproduce the simulation data well. In particular, the contact angles of water in contact with both hydrophilic and hydrophobic walls are evaluated.
authors.affiliation: The Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, People's Republic of China.
authors.forename: Mengjin
authors.initials: M
authors.lastname: Xu
authors.forename: Chen
authors.initials: C
authors.lastname: Zhang
authors.forename: Zhongjie
authors.initials: Z
authors.lastname: Du
authors.forename: Jianguo
authors.initials: J
authors.lastname: Mi
mesh_terms: D004573:Electrolytes / Q000737:chemistry; D057927:Hydrophobic and Hydrophilic Interactions; D015394:Molecular Structure; D011108:Polymers / Q000737:chemistry*; D011789:Quantum Theory; D013500:Surface Tension; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
chemical_list: D004573:Electrolytes; D011108:Polymers; D014867:Water