Chain Copolymerization Reactions: An Algorithm To Predict the Reaction Evolution with Conversion

Abstract

The theoretical knowledge of kinetic curves is one of the most important problems of macromolecular chemistry along with its significance for modelling of polymer synthesis. In order to theoretically predict the evolution of a binary copolymerization reaction that follows the terminal model, an algorithm that uses the exact solution of the differential equation of this kinetic model, is presented. The developed algorithm has been programmed in BASIC language and named CONVERSION. The basis of the algorithm as well as its evaluation using four different model reactions is discussed. CONVERSION is a very useful tool to study the behaviour of chain copolymerization reactions. Moreover, the development and use of computer programs, such as the presented in this work, aim both teachers and students to better understanding of many principles and practical considerations involved in the study of polymer science.