화학공학소재연구정보센터
Polymer, Vol.41, No.24, 8703-8707, 2000
Monte Carlo simulation of gas phase polymerization of 1,3-butadiene part I. Modeling and programming
Monte Carlo method has been firstly applied to gas phase polymerization system. The kinetics of gas phase polymerization of 1,3-butadiene catalyzed by rare earth complex with trialkyl aluminum is discussed. Both absorption and diffusion of monomer in polymer particles are considered. A model and a computer program to simulate gas phase polymerization system are established. The reaction rate constants are obtained by simulating all the five elemental reactions of the porymerization including propagation. According to the results of Monte Carlo simulation, three reasonable polymerization rate versus time curves coincide with experiments with errors between 0.91 and 5.78%. Two kinds of chain transfer reaction contain similar possibilities but play different roles in polymerization.