Simulation of styrene free radical polymerization over bi-functional initiators using Monte Carlo simulation method and comparison with mono-functional initiators |
| |
Authors: | Zahra Khubi-Arani Mehdi Salami-Kalajahi Mohammad Najafi Hossein Roghani-Mamaqani Vahid Haddadi-Asl Seyed Mehdi Ghafelebashi-Zarand |
| |
Institution: | 1. Polymer Engineering Department, Amirkabir University of Technology, P.O. Box 15875-4413, Tehran, Iran 2. Polymer Research Group, Petrochemical Research and Technology Company, P. C. 14385, Tehran, Iran
|
| |
Abstract: | In the present study, based on a complete mechanism, a Monte Carlo simulation method is employed to investigate the kinetics of styrene free radical polymerization over bi-functional initiators in a bulk medium. The effects of the concentration of initiator and the monomer, of the temperature on monomer conversion, average molecular weights, polydispersity index, and molecular weight distribution are inspected and compared with mono-functional initiators. According to the simulation results, an increase in either the concentration of initiator or the temperature leads to the rise of the monomer conversion and to the reduction of the average molecular weights, while the increase of the monomer concentration results in the rise of both monomer conversion and molecular weights, which is in accord with predictions of the theory of free-radical polymerization. In addition, application of bi-functional initiators increases both monomer conversion and average molecular weight and results in narrower chain length distributions. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|