Computer model calculations have been used to simulate the reaction of polyoxypropylene triol with hexamethylene diisocyanate. Various molecular weight distributions and degrees of polymerization are used in the calculation. The effect of side reactions is investigated and compared with experiment. Good agreement for both cyclization and gel points is found for bulk and concentrated solutions. The model can be used to simulate random polycondensation reactions with a reliability approaching that of experiments, and it gives crucial results that cannot be obtained in any other way.
All Science Journal Classification (ASJC) codes
- Materials Science(all)