基于蒙特卡罗方法的水扩散系数及其与温度的关系  

The relationship between diffusion coefficient of water and temperature based on Monte Carlo method

作　　者：晋宏营[1] 

机构地区：[1]榆林学院能源工程学院

出　　处：《西安工程大学学报》2013年第3期400-404,共5页Journal of Xi’an Polytechnic University

基　　金：陕西省教育厅科学研究项目(2010JK933);榆林学院高学历人才科研启动基金项目(11GK04)

摘　　要：使用蒙特卡罗方法,在计算机上模拟了水分子在水中的自扩散过程,进而估算了水的自扩散系数.通过对1标准大气压、不同温度条件下水的自扩散系数进行计算,并与相同条件下的实验值以及其他文献中的计算值进行对比,发现数值较为接近,说明模拟方法较为成功.同时,研究了模拟的自扩散系数与温度的关系,发现自扩散系数随温度升高而快速增加,与温度的倒数间成负指数关系,这与实验和理论结果符合得很好.Based on Monte Carlo method, self-diffusion process of water molecules in water is simulated, and then self-diffusion coefficients of water are estimated. By calculating self-diffusion coefficients of water at one atmosphere and under different temperature conditions, and comparing the calculated values and the value in the literature under the same condition, it is found that their values are close to each other. This demonstrates that the simulation method is successful. Moreover, the relation Between sim- ulated self-diffusion coefficients and temperature is studied, the results reveal that diffusion coefficient increases rapidly as the temperature rise, and there is a negative exponential relation between diffusion coefficient and the reciprocal of temperature. This is in good agreement with the experimental and theo- retical results.

关 键 词：蒙特卡罗方法 扩散系数 温度 最小二乘法 

分 类 号：O552.2[理学—热学与物质分子运动论]