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AMV降凝剂分子结构的Monte Carlo模拟优化研究
引用本文:陈照军,刘章勇,张宏玉,杨朝合,山红红.AMV降凝剂分子结构的Monte Carlo模拟优化研究[J].青岛大学学报(工程技术版),2013(3):79-83.
作者姓名:陈照军  刘章勇  张宏玉  杨朝合  山红红
作者单位:[1]中国石油大学(华东)化学工程学院重质油国家重点实验室,山东青岛266555 [2]山东中海化工集团有限公司,山东东营257000
基金项目:“973”子课题资助项目(2006CB20250S)
摘    要:针对降凝剂分子结构的设计和优化问题,本文运用Monte Carlo模型模拟研究了丙烯酸十八酯-马来酸酐-醋酸乙烯酯三元共聚物(AnMmVp)同原油蜡烃组分间的相容性。以理论计算结果为依据指导合成了AMV共聚物降凝剂,并进行了红外表征和实验验证,实验结果表明,当亲油基团(丙烯酸十八酯,AA18)与极性基团(马来酸酐-醋酸乙烯酯,MA—VA)摩尔比为8:2时,二者混合能最低,原油对A8M1V1降凝剂感受性最佳,凝点降低值达8℃,是理想的原油降凝剂结构,这与理论计算结果基本一致。该研究为原油降凝剂分子结构的设计和优化提供了有效涂释。

关 键 词:Monte  Carlo模拟  原油降凝剂  AMV三元共聚物  蜡晶  相容性

Design and Verification of AMV Crude Oil Pour Point Depressant by Monte Carlo Simulation
CHEN Zhao-jun,LIU Zhang-yong,ZHANG Hong-yu,YANG Chao-he,SHAN Hong-hong.Design and Verification of AMV Crude Oil Pour Point Depressant by Monte Carlo Simulation[J].Journal of Qingdao University(Engineering & Technology Edition),2013(3):79-83.
Authors:CHEN Zhao-jun  LIU Zhang-yong  ZHANG Hong-yu  YANG Chao-he  SHAN Hong-hong
Affiliation:1. State Key Laboratory of Heavy Oil Processing, College of Chemical Engineering of China University of Petroleum (East China), Qingdao 266555, China; 2. Shandong Zhonghai Chemical Industry Co. Ltd, Dongying 257000, China)
Abstract:The miscibility behavior of octadecyl acrylate-maleic anhydride-vinyl acetate terpolymer(AnMmVp) and waxes was studied by Monte Carlo simulation method, with the purpose of molecular structure design and optimization of crude oil pour point depressant. Based on the theoretical calculation results, a ter- polymer AMV pour point depressant was synthesized. The FT-IR characterization and experimental verification were also carried out. The results showed that when the molar ratio of hydrophilic group (AA18) and lipophilic group (MA-VA) was 8 : 2, the total mixed energy between AnMmVp copolymer and octadecane was the lowest. The sensitivity of A8M1V1 copolymer to crude oil was the best, and the pour point drop could reach 14 ℃. The test results were in good agreement with calculated results. The research provides an effective approach for molecular structure design and optimization of crude oil pour point depressant.
Keywords:Monte Carlo simulation  crude oil pour point depressant  terpolymer AMV  waxes  miscibility behavior
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