Guangxi Key Lab of Multi-source Information Mining & Security, Guangxi Normal University, Guilin 541004, China.
Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China.
Phys Rev E. 2017 Jun;95(6-1):063305. doi: 10.1103/PhysRevE.95.063305. Epub 2017 Jun 13.
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 et al. 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.
化学势作为一个重要的热力学量，在复杂系统的热力学建模中得到了广泛应用，特别是对于涉及相变和化学反应的系统。在这里，我们提出了一个基于化学势的多相格子玻尔兹曼模型，其中非理想力可以直接通过化学势来评估。与基于压力张量的模型相比，数值计算更加高效[Wen 等人，欧洲物理快报 112, 44002 (2015)10.1209/0295-5075/112/44002]，因为避免了压力张量及其散度的计算。我们已经从自由能密度函数推导出了几个常用状态方程的化学势。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。我们还实现了一个有效的化学势边界条件来研究固体表面的润湿性，通过表面化学势可以线性地调节接触角。
