Modeling crosslinking polymerization in batch and continuous reactors

Ivan Kryven; Arjen Berkenbos; Priamo Melo; Dong Min Kim; Piet D. Iedema

doi:10.1002/mren.201200073

Modeling crosslinking polymerization in batch and continuous reactors

Ivan Kryven, Arjen Berkenbos, Priamo Melo, Dong Min Kim, Piet D. Iedema^*

^*Corresponding author for this work

Sub Mathematical Modeling

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

A new pseudo-distribution approach is applied to the modeling of crosslinking copolymerization of vinyl and divinyl monomer and compared to Monte Carlo (MC) simulations. With the number of free pending double bonds as the main distribution variable, a rigorous solution of the three leading moments of the molecular size distribution becomes possible. Validation takes place with data of methyl methacrylate with ethylene glycol dimethacrylate. Well within the sol regime perfect agreement is found, but near the gelpoint larger discrepancies do appear. This is probably due to the existence of multiradicals that are not taken into account in the population balance approaches.

Original language	English
Pages (from-to)	205-220
Number of pages	16
Journal	Macromolecular Reaction Engineering
Volume	7
Issue number	5
DOIs	https://doi.org/10.1002/mren.201200073
Publication status	Published - 1 May 2013

Keywords

Copolymerization
Crosslinking
Modeling
Molar mass distribution
Monte Carlo simulation

Access to Document

10.1002/mren.201200073

Cite this

@article{0946d98d9ea5475db3abb40e1c11f532,

title = "Modeling crosslinking polymerization in batch and continuous reactors",

abstract = "A new pseudo-distribution approach is applied to the modeling of crosslinking copolymerization of vinyl and divinyl monomer and compared to Monte Carlo (MC) simulations. With the number of free pending double bonds as the main distribution variable, a rigorous solution of the three leading moments of the molecular size distribution becomes possible. Validation takes place with data of methyl methacrylate with ethylene glycol dimethacrylate. Well within the sol regime perfect agreement is found, but near the gelpoint larger discrepancies do appear. This is probably due to the existence of multiradicals that are not taken into account in the population balance approaches.",

keywords = "Copolymerization, Crosslinking, Modeling, Molar mass distribution, Monte Carlo simulation",

author = "Ivan Kryven and Arjen Berkenbos and Priamo Melo and Kim, {Dong Min} and Iedema, {Piet D.}",

year = "2013",

month = may,

day = "1",

doi = "10.1002/mren.201200073",

language = "English",

volume = "7",

pages = "205--220",

journal = "Macromolecular Reaction Engineering",

issn = "1862-832X",

publisher = "Wiley-VCH Verlag",

number = "5",

}

TY - JOUR

T1 - Modeling crosslinking polymerization in batch and continuous reactors

AU - Kryven, Ivan

AU - Berkenbos, Arjen

AU - Melo, Priamo

AU - Kim, Dong Min

AU - Iedema, Piet D.

PY - 2013/5/1

Y1 - 2013/5/1

N2 - A new pseudo-distribution approach is applied to the modeling of crosslinking copolymerization of vinyl and divinyl monomer and compared to Monte Carlo (MC) simulations. With the number of free pending double bonds as the main distribution variable, a rigorous solution of the three leading moments of the molecular size distribution becomes possible. Validation takes place with data of methyl methacrylate with ethylene glycol dimethacrylate. Well within the sol regime perfect agreement is found, but near the gelpoint larger discrepancies do appear. This is probably due to the existence of multiradicals that are not taken into account in the population balance approaches.

AB - A new pseudo-distribution approach is applied to the modeling of crosslinking copolymerization of vinyl and divinyl monomer and compared to Monte Carlo (MC) simulations. With the number of free pending double bonds as the main distribution variable, a rigorous solution of the three leading moments of the molecular size distribution becomes possible. Validation takes place with data of methyl methacrylate with ethylene glycol dimethacrylate. Well within the sol regime perfect agreement is found, but near the gelpoint larger discrepancies do appear. This is probably due to the existence of multiradicals that are not taken into account in the population balance approaches.

KW - Copolymerization

KW - Crosslinking

KW - Modeling

KW - Molar mass distribution

KW - Monte Carlo simulation

UR - http://www.scopus.com/inward/record.url?scp=84877878903&partnerID=8YFLogxK

U2 - 10.1002/mren.201200073

DO - 10.1002/mren.201200073

M3 - Article

AN - SCOPUS:84877878903

SN - 1862-832X

VL - 7

SP - 205

EP - 220

JO - Macromolecular Reaction Engineering

JF - Macromolecular Reaction Engineering

IS - 5

ER -

Modeling crosslinking polymerization in batch and continuous reactors

Abstract

Keywords

Access to Document

Fingerprint

Cite this