分子动力学仿真计算理想气体分子平均自由程  

Calculation of mean free path of ideal gas molecules by molecular dynamics simulation

作　　者：何格[1] 杨浪[1] 赵凯[1] 赵晓娜[1] 

机构地区：[1]武汉科技大学,湖北武汉430065

出　　处：《中国科技信息》2012年第24期45-46,共2页China Science and Technology Information

基　　金：武汉科技大学大学生科技创新基金资助项目(No.11ZRA115)

摘　　要：本文利用Matlab编程将分子碰撞碰壁事件作为运算步长,模拟了理想气体分子运动的过程,实现了气体分子动力学的仿真,并根据模拟过程得到的分子自由程数据,计算了气体分子的平均自由程。将计算结果与分子平均自由程的理论模型进行了比较,分析表明模拟计算的分子平均自由程随着模拟分子数的增加与理论模型结果之间的偏差逐渐减小,以此验证了理论模型的正确性。In this paper, ideal gas molecules dynamics process is simulated by Matlab programing by considering molecules collision and wall impingement events as calcula%ion steps. The molecule free pa＇sh data is calculated, which can be used to calculate mean free path. Compared with calculation results and theory model of molecule mean free path, we indicate that the deviation between simulating calculation and theory model decreases gradually with the increasing of molecule numbers. Thus, the correctness of theory model is demonstrated.

关 键 词：平均自由程 分子动力学 理想气体 MATLAB 

分 类 号：O552.3[理学—热学与物质分子运动论]