Apply Monte Carlo methods to predict polymer microstructure and properties

Understanding polymer microstructure is critical for engineering functional polymers with targeted macroscopic properties. Monte Carlo Methods in Polymer Reaction Engineering: From Mechanisms to Molecular Architecture provides the first practical treatment of Monte Carlo modeling techniques applied specifically to polymer reaction engineering, equipping readers to program their own simulation algorithms.

The book progresses from simple principles to complex modeling scenarios through practical case studies and worked examples. Readers develop the ability to build Monte Carlo algorithms for solving specific polymerization problems. Coverage spans different Monte Carlo methods in a unified framework, connecting reaction mechanisms directly to molecular architecture predictions for real-world polymer systems.

Readers will also find:

• A didactic structure that builds from foundational Monte Carlo principles to advanced polymer reaction engineering applications with increasing complexity
• Practical case studies demonstrating how Monte Carlo methods predict and control polymer microstructure in academic and industrial settings
• Unified coverage of multiple Monte Carlo methods presented within a single coherent framework tailored to polymer reaction engineering problems
• Worked examples showing how reaction mechanisms connect to molecular architecture predictions for functional polymer design

Designed for polymer chemists, chemical engineers, materials scientists, and plastics technologists in both academia and industry, this book provides the practical tools needed to apply Monte Carlo simulation to polymerization systems. PhD students in materials science and engineering sciences will find it a direct path to developing their own modeling capabilities.

João Soares is a Professor in the Department of Chemical and Materials Engineering at the University of Alberta and has published more than 180 articles in referred journals, written 12 book chapters, and is an author of the book Polyolefin Reaction Engineering published by Wiley-VCH in 2012. He has offered 27 public and 22 in-house industrial short courses all over the world in his areas of expertise. He is the Editor-in-Chief for the Canadian Journal of Chemical Engineering. He is also a member of the Executive Advisory Board of Wiley-VCH Macromolecular journals and responsible for the coordination of Macromolecular Reaction Engineering. Professor Soares is a Fellow of the Chemical Institute of Canada, and a Professional Engineer in the Provinces of Ontario and Alberta. He is the recipient of various scientific awards and consults for several polyolefin-manufacturing companies in Canada, USA, Europe, Asia, and the Middle East.

Mohammed Al-Khayyat is a Research Assistant in the Department of Chemical and Materials Engineering at the University of Alberta, where he obtained his M.Sc. in Chemical Engineering. He has authored several articles in peer-reviewed journals. He specializes in mathematical and computational modeling in chemical engineering, with a particular focus on polymer reaction engineering. His expertise spans Monte Carlo methods, transport phenomena, and computationally efficient polymerization models.