首页 | 本学科首页   官方微博 | 高级检索  
     

苯甲酸铵盐在蜡晶表面吸附行为的分子模拟研究
引用本文:代振宇 徐明进. 苯甲酸铵盐在蜡晶表面吸附行为的分子模拟研究[J]. 石油炼制与化工, 1999, 30(12): 42-45
作者姓名:代振宇 徐明进
作者单位:石油化工科学研究院!北京100083
摘    要:利用分子模拟技术研究了苯甲酸铵盐类柴油低温流动性改进剂在蜡晶表面的低能吸附构象及结合能,发现柴油冷滤点降低值与结合能有着密切的关系,苯甲酸铵盐主要依靠其长的烷基链吸附在蜡表面;流动性改进剂在蜡晶表面的吸附越强,降低冷滤点的效果越明显;而烷基链大小有一个较合适的范围

关 键 词:计算机应用  分子模拟  吸附现象  冷滤点

MOLECULAR SIMULATION STUDIES ON ADSORPTION OF BENZOIC ACID AMINE SALT OVER WAX SURFACE
Dai Zhenyu Xu Mingjin Zhou Han Huang Yanmin Zhu Tongrong. MOLECULAR SIMULATION STUDIES ON ADSORPTION OF BENZOIC ACID AMINE SALT OVER WAX SURFACE[J]. Petroleum Processing and Petrochemicals, 1999, 30(12): 42-45
Authors:Dai Zhenyu Xu Mingjin Zhou Han Huang Yanmin Zhu Tongrong
Abstract:Using molecular simulation methods , the low energy conformation of benzoic acid amine salt adsorbed on the wax surface and its binding energy were studied. A tight relation was found between the binding energy and the dropping of cold filter plugging point. The study showed that the adsorption of benzoic acid amine salt was mainly depended on the adsorption of its long alkyl chain over the wax surface; and the dropping of the cold filter plugging point was more obvious with stronger adsorption of the fluidity improver over the wax. It also showed that the size of the alkyl chain should be in a certain range.
Keywords:computer application   molecular simulation   adsorption   cold filter plugging point  
本文献已被 CNKI 维普 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号