Chemical-potential-based lattice Boltzmann method for nonideal fluids
Chemical-potential-based lattice Boltzmann method for nonideal fluids
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非理想流体的基于化学势的格子玻尔兹曼方法
DOI：
10.1103/physreve.95.063305
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发表时间：
2017
影响因子：
2.4
通讯作者：
Fang Haiping
中科院分区：
文献类型：
--
作者：
Wen Binghai;Zhou Xuan;He Bing;Zhang Chaoying;Fang Haiping
化学势作为一个重要的热力学参数，被广泛应用于复杂体系的热力学建模，尤其是涉及相变和化学反应的体系。在这里，我们提出了一个基于化学势的多相晶格Boltzmann模型，其中非理想力直接由化学势来计算。数值计算比基于压力张量的模型更有效。让我们来吧。44002(2015年)10.1209/02955075/112/44002]因为避免了压力张量及其散度的计算。我们从自由能密度函数出发，导出了几种常见状态方程的化学势。理论分析和数值结果表明，该模型满足热力学和伽利略不变性。采用一种有效的化学势边界条件来研究固体表面的润湿性，接触角可以通过表面化学势进行线性调节。
Chemical potential, as an important thermodynamic quantity, has been popularly used in thermodynamic modeling for complex systems, especially for those involving the phase transitions and chemical reactions. Here we present a chemical-potential-based multiphase lattice Boltzmann model, in which the nonideal force is directly evaluated by a chemical potential. The numerical computation is more efficient than the pressure-tensor-based model [Wen Europhys. Lett. 112, 44002 (2015)10.1209/0295-5075/112/44002] because the calculations of the pressure tensor and its divergence are avoided. We have derived several chemical potentials of the popular equations of state from the free-energy density function. The theoretical analyses and numerical results support that the present model satisfies thermodynamics and Galilean invariance. An effective chemical-potential boundary condition is also implemented to investigate the wettability of a solid surface, and the contact angle can be linearly tuned by the surface chemical potential.