硫-磷系极压抗磨剂与酯类油性剂的反应活性计算与摩擦学性能研究  

STUDY ON REACTION ACTIVITY AND TRIBOLOGICAL PROPERTIES OF SULFUR-PHOSPHORUS EXTREME PRESSURE ANTI-WEAR AGENT AND ESTER OIL-BASED AGENT

作　　者：梁栋 胡星星 曹晶鑫 陈晓玉[1] 骆东旭 房佳宁 徐圆梦 Liang Dong;Hu Xingxing;Cao Jingxin;Chen Xiaoyu;Luo Dongxu;Fang Jianing;Xu Yuanmeng(School of Materials Science and Engineering,Jinling Institute of Technology,Nanjing 211199)

机构地区：[1]金陵科技学院材料工程学院,南京211199

出　　处：《石油炼制与化工》2023年第5期73-79,共7页Petroleum Processing and Petrochemicals

基　　金：江苏省高等学校自然科学研究面上项目(22KJD430007);江苏省产学研项目(BY2022095);江苏省大学生创新创业训练计划项目。

摘　　要：依据密度泛函理论,对硫磷系极压抗磨剂(简称极压剂)与酯类油性剂进行几何结构优化,计算其结构的全局、局部反应活性位点和量子化学参数等;并将这两类添加剂加入到乳化液中,采用四球试验考察其摩擦学性能,利用扫描电子显微镜(SEM)和能量色散光谱(EDS)仪表征四球试验钢球表面的磨斑形态和元素分布。结果表明:极压剂分子的反应活性位点主要分布在S、Zn等极性原子上;添加极压剂二烷基二硫代磷酸锌(ZDDP)、油性剂油酸乙酯(EO)和防锈剂苯并三氮唑(BTA)的乳化液具有优异的极压抗磨性能,其最大无卡咬负荷达到1403 N,摩擦因数为0.029,钢球磨斑直径仅为0.69 mm,极压抗磨润滑系数为11.16。Based on density functional theory(DFT),parathion-based extreme pressure anti-wear agent(EP)and ester oil agent were geometrically optimized,and their global and local reactive sites and quantum chemical parameters of the structure were calculated;these two kinds of additives were added into the emulsion,and the tribological properties were investigated by four-ball test;the morphology and element distribution on the surface of four-ball test steel balls were characterized by scanning electron microscope(SEM)and energy dispersive spectroscopy(EDS).The results showed that the reactive sites of EP molecules were mainly distributed on S、Zn and other polar atoms.The emulsion containing zinc dialkyl dithiophosphate(ZDDP),oil agent ethyloleate(EO),compound emulsifier and rust-preventing agent benzotriazole(BTA)had excellent extreme pressure anti-wear performance,its maximum no-bite load was 1403 N,the friction coefficient was 0.029,the wear spot diameter was only 0.69 mm,and the extreme pressure anti-wear lubrication coefficient was 11.16.

关 键 词：乳化液 密度泛函理论 反应活性 摩擦学性能 

分 类 号：TG14[一般工业技术—材料科学与工程]