Ester interchange reactions in polyester: A Monte Carlo simulation approach

Ho Jo Won Ho Jo; Hwan Kwon Ick Hwan Kwon; June Huh; Yup Kim Chung Yup Kim

doi:10.1016/0014-3057(92)90284-9

Ester interchange reactions in polyester: A Monte Carlo simulation approach

Ho Jo Won Ho Jo, Hwan Kwon Ick Hwan Kwon, June Huh, Yup Kim Chung Yup Kim

Research output: Contribution to journal › Article

7 Citations (Scopus)

Abstract

The effect of ester interchange reactions on the molecular weight distribution (MWD) has been analysed by the Monte Carlo simulation method. An interchange reaction is accepted or rejected according to the Metropolis rule, and the probability of a reaction is calculated from the MWD of the system. The initial biases from thermodynamic equilibrium, such as a monodisperse MWD and a fully extended chain configuration, are rapidly relaxed as the reaction progresses. The simulated MWD is in good agreement with the most probable MWD proposed by Flory. It is also observed that the end-to-end distance of molecules after ester interchange reactions follows Gaussian statistics.

Original language	English
Pages (from-to)	1411-1416
Number of pages	6
Journal	European Polymer Journal
Volume	28
Issue number	11
DOIs	https://doi.org/10.1016/0014-3057(92)90284-9
Publication status	Published - 1992 Jan 1
Externally published	Yes

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ASJC Scopus subject areas

Physics and Astronomy(all)
Organic Chemistry
Polymers and Plastics
Materials Chemistry

Cite this

Won Ho Jo, H. J., Ick Hwan Kwon, H. K., Huh, J., & Chung Yup Kim, Y. K. (1992). Ester interchange reactions in polyester: A Monte Carlo simulation approach. European Polymer Journal, 28(11), 1411-1416. https://doi.org/10.1016/0014-3057(92)90284-9

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10.1016/0014-3057(92)90284-9