Monte Carlo Method To Simulate The Cirtical Properties Of Unary And Binary Fluid

Molecular simulation is the "third way" to study on microcosm, which covers multiplefields and subjects. Moreover, Molecular simulation contains several calculation methods, andachieves great accomplishments in the area of chemistry, physics, biology, medicine and othersubjects.With the support of computer and the help of programming, molecular simulation can dothe particle microscopic calculation to achieve the study of macro-characteristics. Therefore,it has the unique advantage compared with other common physics experiments, for one thing,there is no time, space or condition limits, for another, along with the good randomness andflexibility, it also enjoys an excellent repeatability. Despite of so many advantages, it also hasa congenital deficiencies. Too many parameters and complicated calculated steps restricts theextensive use of molecular simulation technology. That how to improve the accuracy andefficiency of computer calculations is the main study subject on molecular simulation.This article states the process of simulating a L-J pure fluid vapor-liquid coexistencecurve by normal Gibbs system of the Monte Carlo simulation method, and gives anappropriate research on how to improve the precision. The relationship between volumechange rate and temperature is given as well, for the purpose of doing further refinedcalculation. On the subject of carbon dioxide-water binary system, this article gives the resultsof simulation.In this article, the molecular simulation matches the experimental data under a goodcircumstance that verify the feasibility of simulation, which allows to gather experience onhow to further improve the accuracy of binary system by Monte Carlo simulation.