摘要
使用巨正则蒙特卡罗方法(GCMC)分别获得了甲烷和乙烷分子在ZSM-5型分子筛中的粒子云分布图和吸附等温线.从粒子云分布图上可以看出甲烷分子的吸附在直线型十元通道和S型十元通道内分布都比较均匀,而乙烷分子在S型十元通道内分布较少.从吸附等温线上可以得知这两种分子都可通过S型通道和直线型通道到达分子筛孔道内部;在较低压力下,分子筛对这两种分子就有较高的吸附量,并随着压力的增大而增大,在压力大于130KPa时,甲烷的吸附量大于乙烷的吸附量.
Mass clouds distributions and adsorption isotherms of methane and ethane in ZSM-5 zeolite were obtained using Grand Canonical Monte Carlo method （GCMC）. The mass clouds of the studied sorbate molecules indicate that, adsorption of methane molecule occurs both in linear 10-MR channel and S-MR channel; however, adsorption amounts of ethane molecule in S-MR channel are fewer than in linear 10-MR channel. The adsorption isotherms show that, the methane and ethane molecules may go through the inner of zeolite along both the S-MR channel and linear 10-MR channel; the adsorption amounts of the studied sorbate molecules are higher at low pressure and increase with the increasing of pressure. When pressure is greater than 130 KPa, the zeolite has larger capacity of adsorption on methane than ethane.
出处
《四川大学学报（自然科学版）》
CAS
CSCD
北大核心
2008年第5期1217-1220,共4页
Journal of Sichuan University(Natural Science Edition)
基金
中国工程物理研究院面上基金(2007B08008)
