Mathematical Modeling of Arborescent Polyisobutylene Production in Batch Reactors

被引：14

作者：

Zhao, Yutian R. ^{[1
]}

McAuley, Kimberley B. ^{[1
]}

Puskas, Judit E. ^{[2
]}

Dos Santos, Lucas M. ^{[2
]}

Alvarez, Alejandra ^{[3
]}

机构：

[1] Queens Univ, Dept Chem Engn, Kingston, ON K7L 3N6, Canada

[2] Univ Akron, Dept Chem Engn, Akron, OH 44325 USA

[3] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA

来源：

MACROMOLECULAR THEORY AND SIMULATIONS | 2013年 / 22卷 / 03期

基金：

美国国家科学基金会; 美国国家卫生研究院; 加拿大自然科学与工程研究理事会;

关键词：

carbocationic polymerizations; hyperbranched; mathematical models; molecular weight distributions; polyisobutylene; SELF-CONDENSING VINYL; MOLECULAR-WEIGHT DISTRIBUTION; LIVING CARBOCATIONIC POLYMERIZATIONS; FIND BRANCHING ARCHITECTURES; PROPAGATION RATE CONSTANTS; HYPERBRANCHED POLYMERS; RADICAL POLYMERIZATIONS; KINETIC SIMULATION; SOLVENT POLARITY; COPOLYMERIZATION;

D O I：

10.1002/mats.201200058

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

A novel model describes copolymerization of isobutylene and inimer (initiator-monomer) via living carbocationic polymerization. Six different propagation rate constants and two types of equilibrium reactions are considered. Simplifying assumptions are made to enable implementation in PREDICI, so that the molecular weight distribution (MWD) could be predicted for molecules with different branching levels. Four apparent rate constants were estimated from experimental data with <5 branches per molecule. Model predictions provide a good fit to data, and simulation results show that polymers with high-branching levels and 15 inimer units contribute significantly to the MWD, even though their concentrations are very low.

引用

页码：155 / 173

页数：19

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