Benchmarking Stochastic and Deterministic Kinetic Modeling of Bulk and Solution Radical Polymerization Processes by Including Six Types of Factors Two

摘要: Bulk and solution radical polymerization is important in daily live. A challenge still to maximize rate control over molecular characteristics such as the molar mass distribution. The last decades have made clear that kinetic modeling indispensable with originally most focus on deterministic implementations method of moments (MoM) only more recently promising results for event-driven Monte Carlo (kMC) simulations belong stochastic methods. Computationally, a critical reaction termination which one has both distinguishable nondistinguishable distributed species, requires delicate treatment stoichiometric factor 2. Proper benchmarking MoM andkMC demands thus careful translation this (MC) probabilities. However, limited attention been paid thekMC field detailed description translations. Here, rigorous derivation presented level individual rates. Emphasis by recombination disproportionation. It highlighted six types 2 exist all need be incorporated care, including an IUPAC-based one. consistency demonstrated successful benchmark essential free methyl methacrylate.