苯甲酸铵盐在蜡晶表面吸附行为的分子模拟研究

MOLECULAR SIMULATION STUDIES ON ADSORPTION OF BENZOIC ACID AMINE SALT OVER WAX SURFACE

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；

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.