| 催化裂化干气组分在沸石Y上吸附的分子模拟 |
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| 引用本文： | 丁雪 刘熠斌 杨朝合 山红红 陈方文. 催化裂化干气组分在沸石Y上吸附的分子模拟[J]. 中国炼油与石油化工, 2016, 18(1): 100-107 |
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| 作者姓名： | 丁雪 刘熠斌 杨朝合 山红红 陈方文 |
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| 作者单位： | 1. 中国石油大学（华东）重质油国家重点实验室;2. 中国石油大学重质油国家重点实验室;3. State Key Laboratory of Heavy Oil Processing, China University of Petroleum;4. 中国石油大学;5. Institute of Unconventional Hydrocarbon and New Energy Sources, China University of Petroleum; |
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| 基金项目： | 页岩气储层孔隙微观特征及其定量表征研究;高芳烃高含氮重油催化转化反应基础研究;重油加氢处理与催化裂化过程中的分子管理工程基础 |
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| 摘 要： | Adsorption of catalytic cracking dry gas components, hydrogen (H2), nitrogen (N2), methane (CH4), ethane (C2H6) and ethylene (C2H4) in zeolite Y was studied by performing the Grant Canonical Monte Carlo (GCMC) simulations at 298 and 823K and a pressure range up to 10MPa. Simulation results were analyzed using Langmuir model and it presented fitting of dry gas components adsorption suggesting monolayer adsorption. C2H4 presented most single adsorption amount, which reached 7.63mol/kg at 298K under 200kPa. Thermodynamic parameters of Gibbs free energy change, enthalpy change and entropy change were analyzed based on adsorption equilibrium constant obtained from the GCMC simulations. The results suggested that it was more favorable for C2H4 to adsorb in zeolite Y. Adsorption molecules were in ordered arrangement in zeolite, and C2H4 exhibited more orderly arrangement than other components. Additionally, it was found that there was a competition between dry gas components for mixture adsorption, supercages were prior adsorption space. The competition was favorable to CH4 and C2H6, and competitive power was affected by temperature.
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| 关 键 词： | 吸附 干气 沸石 分子模拟 蒙特卡洛 |
| 收稿时间： | 2015-11-25 |
| 修稿时间： | 2015-10-08 |
Molecular Simulations of Catalytic Cracking Dry Gas Components Adsorption in Zeolite Y |
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| Xue Ding Liu Yibin Yang Chaohe Shan Honghong Chen Fangwen. Molecular Simulations of Catalytic Cracking Dry Gas Components Adsorption in Zeolite Y[J]. China Petroleum Processing and Petrochemical Technology, 2016, 18(1): 100-107 |
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| Authors: | Xue Ding Liu Yibin Yang Chaohe Shan Honghong Chen Fangwen |
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| Affiliation: | 1. State Key Laboratory of Heavy Oil Processing, China University of Petroleum(East China);2. State Key Laboratory of Heavy Oil Processing, China University of Petroleum (East China);3. ;4. China University of Petroleum; |
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| Abstract: | Adsorption of catalytic cracking dry gas components, hydrogen (H2), nitrogen (N2), methane (CH4), ethane (C2H6) and ethylene (C2H4) in zeolite Y was studied by performing the Grant Canonical Monte Carlo (GCMC) simulations at 298 and 823K and a pressure range up to 10MPa. Simulation results were analyzed using Langmuir model and it presented fitting of dry gas components adsorption suggesting monolayer adsorption. C2H4 presented most single adsorption amount, which reached 7.63mol/kg at 298K under 200kPa. Thermodynamic parameters of Gibbs free energy change, enthalpy change and entropy change were analyzed based on adsorption equilibrium constant obtained from the GCMC simulations. The results suggested that it was more favorable for C2H4 to adsorb in zeolite Y. Adsorption molecules were in ordered arrangement in zeolite, and C2H4 exhibited more orderly arrangement than other components. Additionally, it was found that there was a competition between dry gas components for mixture adsorption, supercages were prior adsorption space. The competition was favorable to CH4 and C2H6, and competitive power was affected by temperature. |
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| Keywords: | adsorption dry gas zeolite molecular simulation monte carlo |
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