摘要
用恒NVT正则系综MonteCarlo方法模拟线形分子—乙烷的相平衡 ,得出化学势、温度、密度、压力等热力学数据。模拟中 ,用Widom检测粒子法算出体系的化学势。通过与实验值的比较可以看出 。
The phase equilibrium of linear molecule,ethane,has been simulated by using the NVT canonical ensemble Monte Carlo method,and the thermodynamic properties of the system including chemical potentials?temperature?density?pressure,etc.have been got. Widom test partical method is applied to calculate the chemical potentials in simulation. Finally,the results from the simulation show the good accordance with the data in literatures.
出处
《渝州大学学报（自然科学版）》
2002年第2期53-56,共4页
Journal of Yuzhou University(Natural Sciences Edition)
