Statistical kinetic modeling procedure for cationic polymerization and its application to polyisobutylene

A statistical modeling procedure is established for carbocation polymerization with the characteristics of living with chain transfer. A single state model is suggested for cases of narrow molecular weight distribution, whereas a multi‐state model is claimed for cases of broad distribution. In the m...

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Bibliographic Details
Published in:AIChE journal 2023-04, Vol.69 (4), p.n/a
Main Authors: Shim, Sang H., Choi, Junkeol, Lee, Seungcheol, Lee, Jay H.
Format: Article
Language:English
Subjects:
Arrhenius equation
Cationic polymerization
Chain transfer
isobutylene
Mathematical models
Molecular weight
Molecular weight distribution
multi‐state
parameter estimation
Parameter identification
Polyisobutylene
Polymerization
Statistical methods
Statistical models
Temperature dependence
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Summary:A statistical modeling procedure is established for carbocation polymerization with the characteristics of living with chain transfer. A single state model is suggested for cases of narrow molecular weight distribution, whereas a multi‐state model is claimed for cases of broad distribution. In the multi‐state case, it is demonstrated how the overall kinetics can be derived using the expectations and variances of the kinetic parameters rather than those of individual states, thereby simplifying the modeling step. Although the expectation and variance do not follow the relationship of the Arrhenius equation, a procedure is given for how to account for temperature dependence. The proposed statistical method minimizes the number of parameters to identify and therefore is expected to help establish a model with fewer experiments. The whole procedure is demonstrated through an experimental study of isobutylene polymerization.
ISSN:0001-1541
1547-5905
DOI:10.1002/aic.18036