【摘要】 对不同温度时1-癸烯齐聚物与钢铁表面的相互作用进行了分子动力学模拟,以Et3NHCl和Al Cl3为原料合成了离子液体催化剂,考察了不同反应条件对1-癸烯齐聚产物运动粘度、粘度指数、凝点等性质的影响;采用红外光谱和气相色谱对齐聚产物进行了的表征。研究结果表明:在较宽的温度范围内1-癸烯齐聚物三聚体和四聚体与钢铁表面相互作用后的表面总能量变化趋向于恒定;齐聚合成的工艺条件为Al Cl3/Et3NHCl摩尔比为3,离子液体质量分数为5%,反应温度为100℃,反应时间为7h时,齐聚产物在40℃和100℃时的运动粘度分别为57.49mm2·s-1和9.94mm2·s-1,粘度指数为160,凝点为-63℃,具有很好的粘温性能和低温流动性;1-癸烯齐聚产物表征的结果表明,齐聚反应进行得比较彻底,产物具有较长线性侧链,1-癸烯齐聚产物中三聚体与四聚体总含量为84.57%,与前期研究工作的积累和分子动力学模拟结果基本吻合。更多还原

【Abstract】 Molecular dynamics simulation( MDS) of the interaction of 1-decne oligomer and the surface of steel at different temperature was conducted. The viscosity,viscosity index and pour point of 1-decne oligomer synthesized at different conditions were examined,and the catalyst was Et3NHCl-Al Cl3 ionic liquid. Infrared spectrum( IR) and gas chromatography( GC) were used to characterize the1-decne oligomer. Results show: the total surface energy change after the interaction of 1-decne trimer and the tetramer with the surface of the steel tends to be constant at a wide range of temperature; at condition of Al Cl3/ Et3 NHCl = 3( mole ratio),5% wt catalyst in 1-decene,reaction temperature 100℃ and reaction time 7h,the viscosities of 1-decne oligomer at 40℃ and 100℃ are 57. 49 mm2·s- 1and 9. 94 mm2·s- 1respectively,the viscosity index is 60,and the pour point is- 63℃; the 1-decne oligomer has very good properties of viscosity-temperature and low temperature fluidity. IR and GC show that the oligomerization is relatively thorough,and the product has a long linear side chain with regular structure; the total content of trimer and tetramer is 84. 57%,which is consistent with the former work and the result of MDS.更多还原