Computer simulation of Wetting, capillary forces, and particle-stabilized emulsions: From molecular-scale to mesoscale modeling

被引:20
作者
Shinto, Hiroyuki [1 ]
机构
[1] Kyoto Univ, Dept Chem Engn, Nishikyo Ku, Kyoto 6158510, Japan
基金
日本学术振兴会;
关键词
Wettability; Capillary forces; Molecular simulations; Coarse-grained models; Computational fluid dynamics; Phase-field model; LIQUID-LIQUID INTERFACE; LATTICE BOLTZMANN; AMPHIPHILIC MOLECULES; DYNAMICS SIMULATIONS; WATER MIXTURES; FLUID; NANOPARTICLES; SURFACES; MICELLES; WALLS;
D O I
10.1016/j.apt.2012.06.003
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The present paper gives an overview of two methodologies for the computer simulation of wetting and capillary forces as well as particle-stabilized emulsions, which usually appear in a two-phase fluid system including solid bodies. One method is the molecular simulation with a coarse-grained model. The other is the computational fluid dynamics with a phase-field-model. The main emphasis of this review is concerning our idea how to model the solid surfaces with wettability for the different simulation methods in the same spirit of "a simple modeling with focusing on hydrophilicity and hydrophobicity". (C) 2012 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.
引用
收藏
页码:538 / 547
页数:10
相关论文
共 58 条
[1]  
Allen M. P., 1987, COMPUTER SIMULATION
[2]  
Amsden A., 1970, Report LA-4370
[3]  
Amsden A. A., 1970, Journal of Computational Physics, V6, P322, DOI 10.1016/0021-9991(70)90029-X
[4]  
[Anonymous], 2003, Smoothed particle hydrodynamics: a meshfree particle method, DOI DOI 10.1007/S00466-004-0573-1
[5]  
Aoki T., 1995, Computational Fluid Dynamics Journal, V4, P279
[6]   Wetting-induced depletion interaction between particles in a phase-separating liquid mixture [J].
Araki, Takeaki ;
Tanaka, Hajime .
PHYSICAL REVIEW E, 2006, 73 (06)
[7]   CRITICAL-POINT WETTING [J].
CAHN, JW .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (08) :3667-3672
[8]  
Chung T. J., 2010, COMPUTATIONAL FLUID
[9]   ADSORPTION AND ORIENTATION OF AMPHIPHILIC MOLECULES AT A LIQUID LIQUID INTERFACE [J].
DAGAMA, MMT ;
GUBBINS, KE .
MOLECULAR PHYSICS, 1986, 59 (02) :227-239
[10]   Modeling droplets on superhydrophobic surfaces: Equilibrium states and transitions [J].
Dupuis, A ;
Yeomans, JM .
LANGMUIR, 2005, 21 (06) :2624-2629