稠油沥青质胶质降粘机理的分子动力学模拟

发布时间：2018-04-23 09:44

本文选题：沥青质 + 胶质　；参考：《山东大学学报(工学版)》2017年02期

【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,M aterials 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。
[Abstract]:In order to understand the viscosity reduction mechanism of heavy oil and further guide the laboratory synthesis path, the feasibility of the synthesis of viscosity reducer using styrene, octadecyl acrylate and maleic anhydride as raw materials was verified by Materials Studio simulation software. The effect of the viscosity reducer on asphaltene and colloid association system was investigated. The results show that the side chain structure of alkyl group can be effectively unassociated by the long straight chain and rich ester group, and the viscosity reduction of crude oil can be realized by further simulation of styrene. The quaternary polymer synthesized from octadecyl acrylate maleic anhydride and acrylamide and its viscosity reduction effect are deduced to be superior to that of ternary polymer in viscous oil viscosity reduction. Therefore, the quaternary antiviscosity polymer will become the target product of laboratory synthesis. The molecular dynamics simulation of M aterials Studio will play a more and more important role in the synthesis of materials.
【作者单位】：山东大学化学与化工学院;山东省质量技术监督局;
【分类号】：TE39

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