Statistical tools and approaches have been used in the polymerization field for many decades, since brilliant researchers, such as W. H. Carothers and J. P. Flory, realized that polymerization reaction mechanisms could not be entirely described by deterministic rules. It was found that polymer materials almost always can be regarded as random mixtures of macromolecules that present distinct sizes, compositions, degrees of branching, and so on.
The final properties of most polymer materials prepared inside the usually very different reaction vessels and processes result from a complex network of random fundamental reaction steps taking place simultaneously. Therefore, understanding and manipulating the individual probabilities that control the respective reaction events in such complex mechanisms is essential.
Following the previous issue on “Mathematical Tools and Approaches for Polymerization Reaction Engineering” published in 2014, this new special issue of Macromolecular Reaction Engineering now focusses on “Statistical Modeling Tools and Approaches“. Again guested-edited by renowned expert Jose Carlos Pinto (Universidade Federal do Rio de Janeiro), the issue starts off with a detailed review of the application of Monte Carlo models. Further topics covered include reactor modeling to simulate the production of polymers, model-based experimental designs, branching and scission kinetics, or microstructures and rheological behaviors.
Read here for free the full introductory Essay by Jose Carlos Pinto: