Modeling of Free Radical Styrene/Divinylbenzene Copolymerization with the Numerical Fractionation Technique

作者：Nikitin Anatoly N^*; Wulkow Michael; Schuette Christof

来源：Macromolecular Theory and Simulations, 2013, 22(9): 475-489.

DOI：10.1002/mats.201300125

• crosslinking
• cyclization
• free radical copolymerization
• gelation
• styrene

The modeling approach called %26quot;numerical fractionation%26quot; has been incorporated into a PREDICI model to simulate crosslinking copolymerization. In order to take inhomogeneities of the considered copolymerization into account, the kinetic parameters of the model are proposed to be different for each generation of the numerical fractionation. Using this approach the chain-length dependence of the termination has been incorporated into the model so that even the method of moments could be applied to study crosslinking copolymerization. The styrene/m-divinylbenzene crosslinking copolymerization at low crosslinker content has been simulated. The chain-length dependence of the termination has been found to accelerate the gel point in monovinyl/divinyl copolymerization and must be taken into account for a correct description of the gel points.

• 出版日期2013-11
• 单位常州工学院