LDHs对MAO的吸附性能研究

Study on the Adsorption Performance of MAO on LDHs

水滑石(LDHs)受热时有序层状结构被破坏,比表面积增加,孔体积增加,依据水滑石这一特性可用于对载体硅胶进行改性。采用密度泛函数理论(DFT)软件模拟MAO在LDHs不同晶面上的吸附,并对吸附过程中产生的能量变化进行计算。结果表明:LDHs不同晶面结构均可得到优化;MAO在LDHs(110)晶面产生5个吸附点,在LDHs(100)产生2个吸附点,而在LDHs(111)晶面产生了6个吸附点,并且产生的吸附能最大,吸附效果最好。因此,可将LDHs应用于载体硅胶改性,以提高载体硅胶的比表面积及对MAO的吸附性能。

The ordered layered structures are destroyed when Hydrotalcite （LDHs） is heated, the specific surface area of which is increase and the pore volume is so that, according to the characteristics of LDHs can be used to modify the carrier silica gel. The density functional theory （DFT） software was used to simulate the adsorption of MAO on different crystal laces of LDHs. and the energy changes in the adsorption process were calculated. The results show that the structure of LDHs can be optimized. MAO has five adsorption sites on LDHs （ 110） crystal lace, two adsorption sites in LDHs （100）, and six in LDHs （111 ） Adsorption point, resulting in the largest adsorption capacity and the best adsorption effect. Therefore, LDHs can be applied to carrier silica gel modification to improve the specific surface area of carrier silica gel and the adsorption performance of MAO.