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

共 50 条

[21] Mathematical modeling of multicomponent chain-growth polymerizations in batch, semibatch, and continuous reactors: a review
Dube, M.A.
Soares, J.B.P.
Penlidis, A.
Hamielec, A.E.
Industrial and Engineering Chemistry Research, 1997, 36 (04): : 966 - 1015
[22] Mathematical modeling of multicomponent chain-growth polymerizations in batch, semibatch, and continuous reactors: A review
Dube, MA
Soares, JBP
Penlidis, A
Hamielec, AE
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1997, 36 (04) : 966 - 1015
[23] BATCH AND CONTINUOUS REACTORS FOR THE PRODUCTION OF NOVOLACS
FRONTINI, PM
CUADRADO, TR
WILLIAMS, RJJ
POLYMER, 1982, 23 (02) : 267 - 270
[24] Production worthy ALD in batch reactors
Gschwandtner, Alexander
Materials Science Forum, 2008, 573-574 : 181 - 194
[25] Modeling of nonlinear polyurethane production in batch reactors using a kinetic-probabilistic approach
Vivaldo-Lima, E
Luna-Bárcenas, G
Flores-Tlacuahuac, A
Cruz, MA
Manero, O
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2002, 41 (21) : 5207 - 5219
[26] Modeling Effects of Mass Transfer Rate and Catalyst Concentration on Biodiesel Production in Batch Reactors
Roosta, Aliakbar
Vatan, Farnaz
CHEMICAL ENGINEERING COMMUNICATIONS, 2016, 203 (08) : 1116 - 1124
[27] Mathematical Modeling of Biotechnological Process of Lactic Acid Production by Batch Fermentation: A Review
Gordeeva, Yu. L.
Rudakovskaya, E. G.
Gordeeva, E. L.
Borodkin, A. G.
THEORETICAL FOUNDATIONS OF CHEMICAL ENGINEERING, 2017, 51 (03) : 282 - 298
[28] Mathematical modeling of biotechnological process of lactic acid production by batch fermentation: A review
Yu. L. Gordeeva
E. G. Rudakovskaya
E. L. Gordeeva
A. G. Borodkin
Theoretical Foundations of Chemical Engineering, 2017, 51 : 282 - 298
[29] Mathematical Modeling of Free Radical Solution Terpolymerization Reactions in a Batch and Continuous Flow Stirred Tank Reactors
Luciani, Carla V.
Choi, Kyu Yong
MACROMOLECULAR THEORY AND SIMULATIONS, 2021, 30 (03)
[30] Mathematical modeling of limestone dissolution in batch stirred tank reactors in presence of a diluted strong acid.
De Blasio, Cataldo
Ahlbeck, Jarl
Bjondahl, Frej
18TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, 2008, 25 : 1095 - 1100

← 1 2 3 4 5 →