Chemical and Biomolecular Engineering Research and Publications


Date of this Version



This article was originally published in : © Macromolecules; 1994; 27(8); 2045-2053. Abstract published in Advance ACS Abstracts, March 1,1994. Copyright © 1994 American Chemical Society. The American Chemical Society allows posting only title, abstract, tables, and figures from articles appearing in the Macromolecules. Published version of this article is available at the publishers site:


Kinetic reaction theory was used to model first shell substitution effects for several amine-cured epoxy resins, subject to the constraint of intermolecular reactions. Moment analysis will allow numerical simulations to be extended beyond the gel point. Functionalities for several chemical moieties were correlated as a function of conversion. Simulations also incorporated population density distribution dynamics. Analyses of several oligomers clearly demonstrated the dependency of oligomeric weight fractions on first shell substitution effects and conversion. The ratio of rate constants for reactions of secondary amino hydrogens relative to reactions of primary amino hydrogens ranged from 0.5 to 1.2 for the resins analyzed.