三聚氰胺分子印迹聚合物的理论研究

Theory Study of Melamine-Imprinted Polymers

三聚氰胺为模板,甲基丙烯酸为功能单体,采用量子化学理论研究了三聚氰胺分子印迹聚合物的形成机理,使用计算机模拟软件计算了三聚氰胺、甲基丙烯酸及三聚氰胺分子印迹聚合物的分子结构、能量及键长键角,并讨论计算结果。

Melamine as template and methacrylic acid as functional monomer, using quantum chemistry theory, the formation mechanism of melamine imprinted polymer was discussed. Computer simulation software was used to calculate the molecular structure of melamine, methacrylic acid and melamine imprinted polymer, the energy and the bond lengths and angles. Finally, the calculate resuhs were discussed. Results showed a strong hydrogen bond formation between melamine and methyl methacrylic.