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A comprehensive model for solid‐state polycondensation of poly(ethylene terephthalate): Combining kinetics with crystallization and diffusion of acetaldehyde
Author(s) -
Wang XiaQin,
Deng DeChun
Publication year - 2002
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.10113
Subject(s) - condensation polymer , ethylene , materials science , amorphous solid , acetaldehyde , poly ethylene , crystallization , polymer chemistry , diffusion , polymer , kinetics , solid state , chemical engineering , thermodynamics , chemistry , organic chemistry , composite material , catalysis , physics , quantum mechanics , ethanol , engineering
A comprehensive mathematical model was established by considering the main and side reactions for solid‐state polycondensation of poly(ethylene terephthalate). The effect of temperature on chain mobility was used to estimate the rate constants of chemical reactions. The polymer crystalline fraction was modeled as containing only repeat units, thus concentrating end groups and condensates in the amorphous fraction. The diffusion coefficient of acetaldehyde was calculated by the model. The simulation results of this comprehensive model were validated by experimental data reported in literature. The model predictions were important clues for further experimental study on poly(ethylene terephthalate) solid‐state polycondensation. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 83: 3133–3144, 2002; DOI 10.1002/app.10113