丙烯酸酯类降凝剂的Monte Carlo模拟计算及分子结构设计  

Monte Carlo simulation and molecular structure design of acrylic ester pour point depressant

作　　者：陈照军 安高军 张宏玉 杨朝合 山红红 

机构地区：[1]中国石油大学化学工程学院,山东青岛266580

出　　处：《中国石油大学学报（自然科学版）》2013年第6期140-144,共5页Journal of China University of Petroleum(Edition of Natural Science)

基　　金：国家重点基础研究发展计划(973)项目(2012CB215006)

摘　　要：采用Monte Carlo方法模拟计算丙烯酸酯类聚合物降凝剂与原油蜡烃组分之间的相互作用力,在此基础上设计、优化降凝剂的分子结构。根据模拟计算结果,合成丙烯酸十八酯同极性单体马来酸酐和苯乙烯的共聚物降凝剂。结果表明,丙烯酸十八酯-马来酸酐-苯乙烯三元共聚物单体比例为8∶1∶1时,降凝剂对原油的感受性最佳。实验结果与模拟计算结果一致,验证了理论计算的可靠性。The interaction between acrylic ester polymer pour point depressant and crude oil wax hydrocarbon component was studied by Monte Carlo simulation.The molecular structure of pour point depressant was also designed and optimized.According to the results of simulation,the copolymer pour point depressant was synthesized with octadecyl acrylate,polar monomer maleic anhydride and styrene.The results show that pour point depressant is most sensitive to crude oil when the optimal ratio of these three copolymer monomer is 8 ∶ 1 ∶ 1.The experimental results are consistent with simulation results,which confirms the reliability of this simulation method.

关 键 词：原油蜡晶 共聚物 正十八烷烃 丙烯酸酯 降凝剂 MONTE CARLO模拟 

分 类 号：TE624.8[石油与天然气工程—油气加工工程]