摘要
通过分子模拟的方法研究了劣质重油中典型的氮化物(吲哚)在4种不同硅铝比的FAU分子筛上的吸附行为。结果表明:在温度823K下,吲哚在4种FAU分子筛上的吸附量随着压力的增大而增加,并在800kPa左右达到饱和状态;在一定范围内,随着硅铝比的增大,分子筛孔道的自由体积增加,吲哚在FAU分子筛上的饱和吸附量增加;通过Langmuir关联,证明了吲哚在FAU分子筛上的吸附属于单分子层吸附;根据分子模拟结果可从微观角度解释FAU分子筛硅铝比对吲哚吸附性能的影响。
Molecular simulation is used to study the adsorption of indole in four different Si/Al ratio FAU zeolites.The results show that all the adsorption capacities of indole in four FAU zeolites at the823 Kincrease with increasing adsorption pressure and come to a plateau at about 800 kPa.Within a certain experimental range,the greater the Si/Al ratio,the greater the indole adsorption amount in FAU zeolites due to enlarged free space.Langmuir correlations prove that the adsorption of indole in the four FAU zeolites is a monolayer adsorption.The simulated results show that the effect of Si/Al ratio on the adsorption performance of indole in FAU zeolites can be explained from the microscopic point of view.
出处
《石油炼制与化工》
CAS
CSCD
北大核心
2017年第12期25-32,共8页
Petroleum Processing and Petrochemicals
基金
山东省自然科学基金项目(ZR2014BL015
ZR2016BB16)
国家自然科学基金项目(21606254)
关键词
吲哚
FAU分子筛
吸附
分子模拟
indole
FAU zeolite
adsorption
molecular simulation
