低温流动改进剂在柴油蜡晶形成阶段的晶形控制作用  

Controlling crystal morphology mechanism of cold flow improver in formation stage of diesel wax crystal

作　　者：李妍[1] 赵毅[1] 段庆华[1] 周涵[1] 

机构地区：[1]中国石化石油化工科学研究院,北京100083

出　　处：《计算机与应用化学》2014年第4期431-437,共7页Computers and Applied Chemistry

基　　金：中国石化基础研究项目(S111041)

摘　　要：采用实验和分子动力学模拟结合的方法,考察了多种乙烯-醋酸乙烯酯(EVA)和聚甲基丙烯酸参酯(PMA)类低温流动改进剂(CFI),在蜡晶形成阶段,对蜡晶晶形的影响。结果表明,在蜡晶形成阶段,CFI通过改变柴油烃分子的排列方式和相互作用能,控制蜡晶形态,避免粒径较大且容易聚集的片状蜡晶生成。CFI分子保持伸展的构象,并对烃分子有较强的吸附能力,更利于其控制晶形作用的实现。CFI分子中的极性基团和非极性短支链可起到分散烃和分子保持聚合物分子的伸展构象的作用。CFI聚合物分子中含有较多连续的亚甲基结构有利于增强其吸附烃分子的能力。Combined experiment method with molecular dynamics simulation method, the effects of various ethylene-vinyl acetate （EVA） and polymethacrylate （PMA）, as clod flow improver （CFI）, on the wax crystal morphology in formation stage of diesel wax crystal were investigated. The results indicated that in the formation stage of wax crystal, CFI can control the wax crystal morphology by changing the arrangement mode and interaction energy of hydrocarbon molecules, which can prevent hydrocarbon molecules from developing larger-size and easy-assembled flaky wax crystal. The stretching conformation and strong adsorption capacity of CFI molecules are beneficial to control crystal morphology. The roles of polar groups and non-polar short branched chain in CFI molecules are to disperse hydrocarbon molecules and keep stretching conformation of CFI molecules. The CFI polymer molecules that contain more continuous methylene structure are keeping higher adsorption ability to the hydrocarbon molecules.

关 键 词：柴油 蜡晶形成阶段 低温流动改进剂 分子动力学模拟 控制晶体形貌 

分 类 号：TQ015.9[化学工程] TP391.9[自动化与计算机技术—计算机应用技术]