| Monte Carlo模拟预测汽油组分与聚酰亚胺相容性 |
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| 引用本文： | 卢福伟,吕宏凌,孔瑛,马诚,张宏玉,杨金荣.Monte Carlo模拟预测汽油组分与聚酰亚胺相容性[J].高分子学报,2012(4):374-378. |
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| 作者姓名： | 卢福伟 吕宏凌 孔瑛 马诚 张宏玉 杨金荣 |
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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 青岛266555;中国石油集团,渤海钻探工程有限公司 天津300457
2. 中国石油大学(华东),重质油国家重点实验室 青岛,266555 |
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| 基金项目： | 国家自然科学基金，教育部新世纪优秀人才培育计划，教育部创新团队"重质油高效转化的绿色化学与工程"，教育部高等学校博士学科点专项科研基金，山东省自然科学基金，中空纤维膜材料与膜过程省部共建国家重点实验室培育基地开放基金 |
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| 摘 要： | 利用Monte Carlo模拟研究了不同结构的聚酰亚胺与典型汽油组分的相容性.结果表明,3,3′,4,4′-二苯甲酮四羧酸二酐-2,4,6-三甲基对苯二胺( BTDA-3 MPDA)与典型汽油组分的相容性较高,且对噻吩的选择性高于其他结构的聚酰亚胺.在300～500 K温度范围内,BTDA-3MPDA与五种典型汽油组分...
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| 关 键 词： | 聚酰亚胺 汽油脱硫 Monte Carlo模拟 溶解性 |
PREDICTION OF MISCIBILITY OF POLYIMIDES AND GASOLINE COMPONENTS BY MONTE CARLO SIMULATION |
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| Fu-wei Lu
,
Hong-ling Lü
,
Ying Kong
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Cheng Ma
,
Hong-yu Zhang
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Jin-rong Yang.PREDICTION OF MISCIBILITY OF POLYIMIDES AND GASOLINE COMPONENTS BY MONTE CARLO SIMULATION[J].Acta Polymerica Sinica,2012(4):374-378. |
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| Authors: | Fu-wei Lu Hong-ling Lü Ying Kong Cheng Ma Hong-yu Zhang Jin-rong Yang |
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| Institution: | 1(1 State Key Laboratory of Heavy Oil Processing,China University of Petroleum(East China),Qingdao 266555)(2 Drilling Center of Bohai Sea Drilling Engineering Technology Research Institute,China National Petroleum Corporation,Tianjin 300457) |
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| Abstract: | The miscibility behavior of polyimides(PI) of different structures and five gasoline components was studied by using Monte Carlo simulation method.The results indicated that the miscibility of 3,3′,4,4′-benzophenonetetracarboxylic dianhydride-2,4,6-trimethyl-p-phenylenediamine(BTDA-3MPDA) and gasoline components was prior,and its selectivity of thiophene was better than that of the other PIs.In the temperature of range 300~500 K,the mixed energy between BTDA-3MPDA and gasoline components decreased with increase of temperature.However,the selectivity of thiophene decreased with the increasing temperature.The temperature of 350 K was selected for the further study of the miscibility of BTDA-3MPDA and gasoline components,while the mole free energy between BTDA-3MPDA and thiophene was much smaller than that for the other gasoline components.Thus,BTDA-3MPDA could be played as a selective material for gasoline desulfurization. |
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| Keywords: | Polyimide Gasoline desulfurization Monte Carlo simulation Solubility |
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