ABSTRACT
80The aim of this work is to introduce a model for the numerical study of cross-linking process during some chemical reactions in composites with macromolecular structure. We define a parameter that quantifies the degree of cross-linking and indicates the rate of bridge formation between macromolecular chains. The mentioned parameter is determined by the number of positions free for cross-link connections in the model of macromolecular structure. Then the evolution of this parameter is calculated, provided that random and sequential mechanism of bridge formation is preferred. The result of the calculation is compared with experimental data characterizing evolution of AC electric conductivity of styrene-butadiene rubber (SBR) rubber mixtures during silane cross-linking phase of treatment. Good agreement of calculated results with experimental data was observed. This work offers a new unconventional view on kinetics of cross-linking chemical reactions in polymer structures based on non-chemical concept. We believe that our results should create a basis for novel theoretical models and simulations of such reactions to understand their nature. The presented contribution contains only brief mathematical statements, not exact proofs. We try to make accessible mathematically rigorous results for a wide range of researchers mainly in the field of the modeling and simulation of chemical reactions.
