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高分子学报 1991
MONTO-CARLO-SIMULATION OF COPOLYMERIZATION REACTION AND PROBABILISTIC ESTIMATION OF KINETIC PARAMETERS
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Abstract:
Simulation of chain propagation process of binery polymerization reaction with Monte-Carlo method and statistical probability treatment of estimating kinetic parameters were made. From statistical point of view, this is a Bayesian one in which a posterior probability density surface(PPDS) is calculated for points on a grid in the parameter space. A smoothing function is fitted to the PPDS, then reactivity ratios (r1,r2) are calculated for confidence region. When this method was used to estimate reactivity ratios of styrene-butyl acrylate copolymer,it was in good agreement with that obtained by normal calculating kinetic parameter methed.