Molecular weight distribution in random crosslinking of polymer-polyfunctional monomer systems

A Monte Carlo sampling algorithm fur the simulation of molecular structural evolution in a random crosslinking process of polymer-polyfunctional monom er (PFM) systems is proposed. Combining a simple gel content experiment wit h this algorithm, various important property changes in a tandem crosslinki ng reaction, such as molecular weight distribution, location of gel points, crosslinking density within sol and gel fractions, PFM molecular density w ithin sol and gel fractions, etc., can be fully explored. A virtual polymer -PFM system with a very narrow initial molecular weight distribution and a commercial low density polyethylene-triallyl cyanurate system have been use d to demonstrate the application of this algorithm. The implications of the simulated results were also discussed. (C) 2000 Elsevier Science Ltd. All rights reserved.