尼龙6固相聚合模型及计算机模拟研究

Modeling and simulation for solid-state polymerization of nylon 6

根据尼龙6固相聚合反应机理,建立了由可逆化学反应和小分子扩散共间控制的尼龙6固相聚合动力学模型,并确定了其动力学和热力学参数。通过计算机模拟实验表明,聚合反应温度越高,预聚体尺寸越小,预聚体初始相对分子质量越高,越有利于固相增粘反应,有利于固相聚合尼龙6相对分子质量的增加。

The kinetic model for solid-state polymerization of nylon 6 which was controlled by reversible reaction and small molecule diffusion was established based on the mechanism of nylon 6 solid-state polymerization. The kinetic and thermodynamic parameters were decided. The results obtained from the computer simulation experiment showed that the high polymerization temperature, the small size and the high initial molecular weight of prepolymers were helpful to the growth of molecular weight of nylon 6 during the solid-state polymerization.