Citation: ZHAI Dong, ZHAO Liang, PAN Hui-Fang, ZHAO Zhen, DUAN Ai-Jun, GAO Jin-Sen, CHEN Yu. Monte Carlo Investigation into C4 Hydrocarbon Adsorption in FAU, BEA and LTL Zeolites[J]. Acta Physico-Chimica Sinica, ;2011, 27(06): 1400-1406. doi: 10.3866/PKU.WHXB20110614 shu

Monte Carlo Investigation into C4 Hydrocarbon Adsorption in FAU, BEA and LTL Zeolites

1.
State Key Laboratory of Heavy Oil Processing, China University of Petroleum (Beijing), Beijing 102249, P. R. China

Received Date: 3 January 2011
Available Online: 27 April 2011
Fund Project: 国家自然科学基金(20906102, 20725620) (20906102, 20725620)中国石油大学(北京)引进人才科研启动基金(BJBJRC-2010-2)资助项目 (北京)引进人才科研启动基金(BJBJRC-2010-2)

The adsorption of 1,3-butadiene, 1-butylene, and n-butane in FAU, BEA, and LTL zeolites was investigated by Monte Carlo (MC) simulations. The adsorption isotherms, distribution of adsorbates, and isosteric heat of the C4 hydrocarbons in the zeolites at 298 K were obtained by simulation. The results show that the amount of C4 hydrocarbon saturated adsorption in FAU was the highest, in BEA it was the second highest, and in LTL it was the lowest. For the same zeolite, the isosteric heat of n-butane was the largest, 1-butylene the second largest, and 1,3-butadiene was the lowest. For the same C4 hydrocarbon, the isosteric heat in LTL was almost the same as that in BEA. The isosteric heat in FAU was the lowest. The adsorption of C4 hydrocarbon mixtures onto the zeolites at 543 K, 2.0 MPa was also simulated. In these mixtures the amount of n-butane adsorption was the highest, 1-butylene the second highest, and 1,3-butadiene the lowest.
- Adsorption,
- C4 hydrocarbon,
- Zeolite,
- Monte Carlo,
- Simulation
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