Qin R S
CCLRC Daresbury Laboratory, Warrington WA4 4AD, United Kingdom.
Phys Rev E Stat Nonlin Soft Matter Phys. 2006 Jun;73(6 Pt 2):066703. doi: 10.1103/PhysRevE.73.066703. Epub 2006 Jun 7.
I introduce a method to derive mesoscopic particle interactions by macroscopic thermodynamics, which is suitable for simulation of multiphase fluids by means of the lattice Boltzmann equation. For van der Waals fluids, the interaction possesses a high-density strong repulsive core and a low-density weak attractive tail, which looks like the Lennard-Jones potential with replacement of the distance between particles with mass density. Numerical results on phase separation show a droplet growth scheme rather than spinodal decomposition, and exhibit accurately the equilibrium phase diagram, a convincing interfacial energy property, and irreversible thermodynamics.
我介绍了一种通过宏观热力学推导介观粒子相互作用的方法,该方法适用于借助格子玻尔兹曼方程对多相流体进行模拟。对于范德瓦尔斯流体,这种相互作用具有高密度强排斥核和低密度弱吸引尾,其类似于将粒子间距离替换为质量密度的 Lennard-Jones 势。相分离的数值结果显示出液滴生长模式而非旋节线分解,并准确展现了平衡相图、令人信服的界面能性质以及不可逆热力学。