Monte Carlo simulation of molecular weight distribution and copolymer composition in transamidation reaction of polyamides

摘要

Melt mixing of polyamides results in exchange reaction and generation of copolymers. In this work, Monte Carlo method is used to simulate the time evolution of molecular weight distribution (MWD) and copolymer composition during the exchange reaction process between polyamides with AA and BC structure. The influences of initial composition and molecular weight have been investigated. Decrease in the difference between the average molecular weight of two kinds of polyamides results in faster approach of the MWD toward Flory's distribution and higher probability of producing copolymers. When the ratio between the numbers of initial molecules of two homopolymers is increased, the number of generated copolymers is reduced and the wider MWD is obtained.