Abstract
The computer simulation of the kinetic scheme advanced for the thermostimulated polycondensation of aspartic acid in the solid phase is performed. The scheme includes the autocatalytic growth of a polymeric chain followed by polymer dehydration. This process occurs simultaneously in two matrix zones with identical reaction products but different rate constants. Arrhenius parameters for each of the four chemical stages are defined via solution of the inverse kinetic problem. The functions obtained in the simulation almost coincide with kinetic curves obtained for three regimes of two thermochemical research methods: thermogravimetric analysis and differential scanning calorimetry. The parameters thus obtained can be described by the compensation-effect curve with a linear dependence between the logarithm of the pre-exponential factor and the activation energy. It was proposed that the bimolecular chain-growth reaction in one of the zones proceeds by the monomolecular mechanism.
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