Premium
An analytic approach in kinetic modeling of Ziegler–Natta polymerization of butadiene
Author(s) -
Lee TaiYong,
Nitirahardjo Singgih,
Lee Sunggyu
Publication year - 1994
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.1994.070531207
Subject(s) - dispersity , kinetic energy , natta , thermodynamics , molar mass distribution , polymerization , chemistry , polymer chemistry , materials science , organic chemistry , physics , classical mechanics , polymer
Abstract A kinetic modeling study was conducted for the Ziegler–Natta polymerization of butadiene with cobalt octoate/DEAC/water catalyst. The model equations for the single and dual active site models were analytically solved, and the closed‐form expressions for conversion and both number and weight average molecular weights were obtained. The expressions for conversion and number average molecular weight are identical for both models. Also, the expressions of weight average molecular weight are similar for both models, but the expression for the dual active site model includes an additional scalar parameter. The parameter can be regarded as a “correction factor of weight average molecular weight,” which reflects the effect of dual active sites on the polydispersity. Using the expressions, a simple and noniterative kinetic modeling algorithm was established, and the parameter estimates were obtained. The estimated value of the correction factor ranges from 1.2 to 1.5 depending on the experimental data. The modeling results indicate the validity of the dual active site model. © 1994 John Wiley & Sons, Inc.