Molecular Simulation of Oxygen Diffusion in Polymers
Oxygen diffusion in polymer membranes has great significances on the choice of packaging materials.In this work, molecular dynamics simulations and Grand canonical Monte Carlo were used to study thediffusion of oxygen in polymer membranes. It is found that the diffusion coefficient of oxygen in polymermembranes increases as the temperature increases. And the diffusion coefficient of oxygen in polymer membranesincreases slowly as the pressure increases. In this paper has studied tentatively influences of nitrogenon the diffusion coefficient of oxygen in Polyethylene (PE).It shows that nitrogen makes the diffusion coefficientof oxygen in PE increasing greatly. In general, simulation results indicate that polymer membranes usedat low temperatures and all-oxygen environment should be preferred in food preservation.
Rong Liping Zhang Guoqiang Yang Shuai
Department of Packaging Engineering Shandong University Jinan, China
国际会议
The 17th IAPRI World Conference on Packaging(第17届世界包装大会)
天津
英文
212-216
2010-10-12（万方平台首次上网日期，不代表论文的发表时间）