%0 Journal Article
%T 稠油沥青质胶质降粘机理的分子动力学模拟<br>Molecular dynamic simulation on the mechanism of viscosity reduction to asphaltene and resin in heavy oil
%A 崔青
%A 张长桥
%A 修建新
%A 许士明
%A 卢丽丽&lt
%A br&gt
%A CUI Qing
%A ZHANG Changqiao
%A XIU Jianxin
%A XU Shiming
%A LU Lili
%J 山东大学学报（工学版）
%D 2017
%R 10.6040/j.issn.1672-3961.0.2016.412
%X 摘要： 为深入了解稠油降粘机理,进一步指导实验室合成路径,利用Materials Studio模拟软件验证了以苯乙烯、丙烯酸十八酯和马来酸酐为原料进行的降粘剂合成在分子动力学上的可行性;探究该降粘剂对沥青质、胶质缔合体系的解固作用,结果表明降粘剂分子凭借长直链和富含酯基、烷基的侧链结构可以有效解除缔合,实现原油降粘;进一步模拟由苯乙烯、丙烯酸十八酯、马来酸酐和丙烯酰胺为原料合成的四元聚合物及其降粘效果,推断出四元聚合物对稠油降粘的效果将优于三元聚合物。因此,该四元降粘聚合物将成为下一步实验室合成的目标产物,Materials Studio分子动力学模拟在材料合成中将发挥越来越重要的指导作用。<br>Abstract: To in-depth understand the mechanism of viscosity reducing agent to heavy oil and guide the synthesis in laboratory, the Materials Studio software was used to simulate the molecular dynamics of viscosity reducer synthesised by styrene, octadecyl acrylate and maleic anhydride. The results showed that the viscosity reducing agent could effectively remove the associating system by long straight chains and side chains rich in ester and alkyl group, and then improve the stability of asphaltene and resin. Another quaternary polymer synthesized by styrene, octadecyl acrylate, maleic anhydride and acrylamide and its viscosity reduction effect were further simulated, from which could deduce that the quaternary polymer and could behave better than that ternary one. Thus, this kind of quaternary polymer has been set as the target product in the real lab, and Materials Studio can play an important role in guiding synthesis process
%K 沥青质
%K 降粘剂
%K 稠油
%K Materials Studio
%K 胶质
%K 分子动力学模拟
%K &lt
%K br&gt
%K resin
%K asphaltene
%K Materials Studio
%K viscosity reducer
%K molecular dynamic simulation
%K heavy oil
%U http://gxbwk.njournal.sdu.edu.cn/CN/10.6040/j.issn.1672-3961.0.2016.412