Simulation and Ex periment of Thiophene and Benzene Adsorpt ion on Y - Zeoli tes

Journal of Liaoning Petrochemical University ›› 2007, Vol. 27 ›› Issue (1): 1-3.

School o f Petrochemica l Technology , Liaoning University o f Petroleum & Chemical Technology ,Fushun Liaoning 113001, P. R. China

Received:2006-06-12 Published:2007-03-20 Online:2017-07-05

Y 型分子筛吸附噻吩、苯的模拟和实验

段林海, 宋丽娟, 范景新, 李秀奇, 孙兆林

辽宁石油化工大学石油化工学院, 辽宁抚顺113001

作者简介:段林海(1973 - ), 男, 山东菏泽市, 讲师, 博士。
基金资助:
国家自然科学基金(20476042)。

Abstract

Abstract:

　The adsorption isotherm of thiophene and benzene on NaY and Ce(Ⅳ) zeolites at several temperatures(29 , 62 , 100 ℃) were studied using Monte Carlo method , and the simulated isotherms were compared those obtained by experiments. The results show that the isotherms of thiophene , benzene on NaY and Ce(Ⅳ) is type I. The saturation adsorption capacity of thiophene and benzene increase s with decreasing temperature. Burchart1. 01 - Dreiding 2. 1 force field can well describe the interactions between thiophene or benzene and NaY , Ce(Ⅳ)Y.

Key words: Y - Zeolites, , Adsorption , , Desulfurization , , Monte Carlo

摘要： 　用蒙特卡罗方法模拟了温度为29 , 62 , 100 ℃时噻吩、苯在NaY 和Ce(Ⅳ)Y 分子筛上的吸附等温线, 并与实验测定的吸附等温线进行了比较。结果表明, 各吸附等温线均属于第Ⅰ 种类型的吸附等温线, 并且随着温度的降低, 噻吩、苯的饱和吸附量均增大。Burcha rt1. 01 - Dreiding 2. 1 力场可很好的描述NaY, Ce(Ⅳ)Y 分子筛与噻吩、苯分子之间的相互作用。

关键词: Y 型分子筛, 　吸附, 　脱硫, 　蒙特卡罗

DUAN Lin - hai,SONG Li - juan,et al. Simulation and Ex periment of Thiophene and Benzene Adsorpt ion on Y - Zeoli tes[J]. Journal of Liaoning Petrochemical University, 2007, 27(1): 1-3.

段林海, 宋丽娟, 范景新, 李秀奇, 孙兆林. Y 型分子筛吸附噻吩、苯的模拟和实验[J]. 辽宁石油化工大学学报, 2007, 27(1): 1-3.

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