中南大学学报（自然科学版）2013，Vol.44Issue(6)：2591-2595,5.
柴油机冷启动HC在LTA沸石中吸附的分子模拟
Molecular simulation of diesel cold start emissions adsorption in LTA zeolite
摘要
Abstract
The adsorption behaviors of diesel cold starting emissions in LTA zeolite was studied by grand canonical Monte Carlo (GCMC) simulation.Ethylene and propylene were used as probe molecules for HC.Adsorption isotherms under special temperatures for pure component,binary mixtures and mass cloud of the adsorbates were obtained.The results show that the average loading of ethylene and propylene has the similar trend,and both of them increase with the increase of pressure and decrease significantly with the increase of temperature.The binary mixtures show competitive adsorption behavior,and the adsorption effect of propylene in LTA zeolite is better than adsorption effect of ethylene in LTA zeolite.From the mass clouds of the simulation,it can be found that propylene distributes in the α cage and β cage of the LTA zeolite.But ethylene distributes mainly in the α cage,and only a few distribute mainly in the β cage of the LTA zeolite.关键词
柴油机/冷启动/碳氢吸附/分子模拟/蒙特卡洛Key words
diesel/ cold start/ hydrocarbon/ molecular simulation/ Monte Carlo分类
交通工程引用本文复制引用
邓元望,韩卫,刘腾,尹亮..柴油机冷启动HC在LTA沸石中吸附的分子模拟[J].中南大学学报（自然科学版）,2013,44(6):2591-2595,5.基金项目
国家自然科学基金资助项目(51176045) （51176045）
