Model-based Reactor Design to Control Branched Polymer Architecture

The 3D structural control of branched polymer architecture is an important future trend in polymer production technology. The Monte Carlo simulation technique based on the random sampling technique is used to explore the effect of reactor types on the branched polymer structure, formed through freeradical polymerization that involves chain transfer to polymer, leading to simultaneous long-chain branching and scission, as in the case of low-density polyethylene synthesis. It was found that polymers with various types of branched architecture, from star-like globular structure to a more randomly branched structure, can be produced simply by changing the tank arrangement in a series of CSTRs having different sizes. Through the present investigation, I would like to emphasize the importance of stochastic approaches and the active model use aiming at creating new reactor design in which process engineers have the initiative.