MONTE-CARLO SIMULATION OF COPOLYMERIZATION BY ESTER INTERCHANGE REACTION IN MISCIBLE POLYESTER BLENDS

The effects of reaction variables on the degree of randomness in copol ymers. formed by ester interchange reaction in miscible polyester melt blends were systematically investigated using a Monte Carlo method. T hree reaction variables such as the molecular weight difference betwee n two component polymers, the blend ratio, and the reaction ratio of e nd attack to bond flip, were particularly considered on the cubic latt ice model. Ester interchange reactions were assumed to take place duri ng reptational chain motions. It was found that the copolymerization w as dependent upon the molecular weight difference and reaction ratio: As the molecular weight difference becomes smaller and when both end a ttack and bond flip reactions are involved simultaneously, the copolym erization is accelerated. However, the blend ratio does not affect the copolymerization process. This result is discussed in relation to the polymer chain conformation for the ester interchange reaction. (C) 19 98 John Wiley & Sons, Inc.