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Simulation of Particle Morphology Development Under Kinetically Controlled Conditions

Stubbs, J M; Carrier, R; Karlsson, Ola LU and Sundberg, D C (2003) In Progress in Colloid & Polymer Science 124. p.131-137
Abstract
We have developed software, called UNHLATEXTM> KMORPH, for predicting particle morphology development under conditions of kinetic control. In order to accomplish this, one must first simulate the polymerization kinetics and as a result KMORPH has developed into a fairly complete model for seeded emulsion polymerization kinetics. The simulation takes into account both the aqueous phase and particle phase reactions and can be run under either batch or semibatch conditions. Prediction of the particle morphology is accomplished by considering the diffusive penetration of radicals into the seed particles. The radial distance where each radical undergoes termination is tabulated throughout the polymerization, and this results in a radial... (More)
We have developed software, called UNHLATEXTM> KMORPH, for predicting particle morphology development under conditions of kinetic control. In order to accomplish this, one must first simulate the polymerization kinetics and as a result KMORPH has developed into a fairly complete model for seeded emulsion polymerization kinetics. The simulation takes into account both the aqueous phase and particle phase reactions and can be run under either batch or semibatch conditions. Prediction of the particle morphology is accomplished by considering the diffusive penetration of radicals into the seed particles. The radial distance where each radical undergoes termination is tabulated throughout the polymerization, and this results in a radial density distribution of termination events for the second stage polymer radicals. A prediction of the particle morphology is developed based on this distribution. The model predictions, in terms of both polymerization kinetics and morphology development, are shown to agree well with experiment. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Progress in Colloid & Polymer Science
volume
124
pages
131 - 137
publisher
Springer
ISSN
0340-255X
DOI
10.1007/b12156
language
English
LU publication?
yes
id
4a0478bd-44f7-47ee-8252-cba286f4ff61 (old id 129567)
date added to LUP
2007-07-13 16:20:18
date last changed
2018-05-29 11:03:46
@article{4a0478bd-44f7-47ee-8252-cba286f4ff61,
  abstract     = {We have developed software, called UNHLATEXTM> KMORPH, for predicting particle morphology development under conditions of kinetic control. In order to accomplish this, one must first simulate the polymerization kinetics and as a result KMORPH has developed into a fairly complete model for seeded emulsion polymerization kinetics. The simulation takes into account both the aqueous phase and particle phase reactions and can be run under either batch or semibatch conditions. Prediction of the particle morphology is accomplished by considering the diffusive penetration of radicals into the seed particles. The radial distance where each radical undergoes termination is tabulated throughout the polymerization, and this results in a radial density distribution of termination events for the second stage polymer radicals. A prediction of the particle morphology is developed based on this distribution. The model predictions, in terms of both polymerization kinetics and morphology development, are shown to agree well with experiment.},
  author       = {Stubbs, J M and Carrier, R and Karlsson, Ola and Sundberg, D C},
  issn         = {0340-255X},
  language     = {eng},
  pages        = {131--137},
  publisher    = {Springer},
  series       = {Progress in Colloid & Polymer Science},
  title        = {Simulation of Particle Morphology Development Under Kinetically Controlled Conditions},
  url          = {http://dx.doi.org/10.1007/b12156},
  volume       = {124},
  year         = {2003},
}