摘要
结合分子力学模拟方法,研究了丙烯和4种C4单烯烃异构体在丝光沸石内的物理吸附,得到了单组分条件下各组分等压吸附性能曲线,以及等组成多组分体系和不等组成多组分体系的等压吸附曲线。模拟计算结果对利用丝光沸石的吸附-脱附过程提供了有益的参考。
The physisorption of propylene and four isomers of butene in mordenite was studied by using molecular mechanics method. The sorption curves at isobaric condition were simulated according to single component and multi-components of the olefins. The calculated results can be referenced by the real adsorptions/desorption processes in mordenite.
出处
《石油学报（石油加工）》
EI
CAS
CSCD
北大核心
2006年第3期61-67,共7页
Acta Petrolei Sinica(Petroleum Processing Section)
关键词
吸附
脱附
丝光沸石
烯烃
分子模拟
adsorption
desorption
mordenite
olefin
molecular simulation
