不同温湿度下乙烯在纤维素中扩散行为的分子模拟

Molecular Simulation of Ethylene Diffusion in Cellulose at Different Temperature and Humidity

乙烯是影响果蔬采后保鲜的重要因素之一,果蔬企业一般通过设置保鲜环境和使用包装来缓解乙烯的影响。利用分子模拟技术,模拟计算不同温度(273、283、293、303、313 K)和不同空气相对湿度(20%、60%、100%)条件对乙烯在纤维素中扩散行为的影响,通过均方位移(Mean Square Displacement,MSD)数据计算出扩散系数。结果表明,温度和相对湿度对乙烯在纤维素内的扩散系数的影响显著(P<0.05)。在273~313 K的温度范围内,乙烯在纤维素中扩散系数随着温度的升高而增大;在20%~100%的空气相对湿度范围内,随着湿度的增加而增大。

Ethylene is one of the important factors affecting the postharvest storage of fruits and vegetables.Fruit and vegetable enterprises generally set up storage environment and use packaging to mitigate the impact of ethylene.The effects of temperature(273 K,283 K,293 K,303 K and 313 K)and relative humidity(20%,60%and 100%)on the diffusion behavior of ethylene in cellulose were simulated by using molecular simulation technology.The diffusion coefficient was calculated by Mean Square Displacement(MSD).The results showed that temperature and relative humidity had significant effects on the diffusion coefficient of ethylene in cellulose(P<0.05).The diffusion coefficient increased as the temperature rose in the range of 273~313 K;the diffusion coefficient was observed increasing when the relative air humidity increased from 20%to 100%.