论文部分内容阅读
将带空穴偏倚取样的Widom插入粒子法应用于Ising格子模型,求得了Ising格子流体在不同温度、不同密度下的剩余化学位,并通过热力学关系求得了系统的化学位、压力和压缩因子;计算了系统的内能涨落与温度的关系,并据此求得了系统在临界点附近的比热尖峰。最后根据相平衡原理,获得了系统的汽液平衡相图。模拟所得的结果与Scesney的级数解及Flory-Huggins理论进行了比较,表明本文的模拟结果与Scesney的准确结果十分接近。
The Widom insertion particle method with hole bias sampling was applied to the Ising lattice model. The residual chemical order of Ising lattice fluid at different temperatures and densities was obtained. The chemical position, pressure and compression factor of the system were obtained through the thermodynamic relationship. The relationship between the internal energy fluctuation and the temperature is calculated, and the specific heat peak around the critical point of the system is obtained. Finally, based on the principle of phase equilibrium, the vapor-liquid equilibrium phase diagram of the system was obtained. The simulation results are compared with Scesney’s series solution and Flory-Huggins theory, which shows that the simulation results in this paper are very close to those of Scesney.