郑州大学学报（理学版）2015，Vol.47Issue(2)：101-103,108,4.DOI:10.3969/j.issn.1671-6841.2015.02.020
超临界 CO2 体系黏度分子动力学研究
Molecular Dynamics Simulation of Viscosity in Supercritical CO2
摘要
Abstract
Supercritical CO2 was the most commonly used supercritical fluid due to its low critical empera-ture and moderate critical pressure.It has found wide applications in various fields, such as supercritical fluid extraction, cooling system, and rapid expansion of supercritical solution, etc.Enriching the basic physic data of supercritical CO2 is of positive significance.Equilibrium molecular dynamics simulations were carried out in this study to investigate the viscosity of supercritical CO2 .The numeration process was conducted by our compiled script, based on the Lammps simulator, which was a classical molecular dy-namics code.The calculation outcome were compared with the mature property database.The results showed that the error was less than 0.5% between the calculation and that of the database.And it was feasible to use the presented method to obtain the supercritical CO2 viscosity.关键词
超临界CO2/分子动力学/黏度Key words
supercritical CO2/molecular dynamics/viscosity分类
数理科学引用本文复制引用
靳遵龙,李德雨,刘东来,王永庆,王定标..超临界 CO2 体系黏度分子动力学研究[J].郑州大学学报（理学版）,2015,47(2):101-103,108,4.基金项目
中国博士后科学基金资助项目,编号2014M552011 （）
河南省基础与前沿项目,编号132300410104. （）
