Simulation of Particle Morphology Development Under Kinetically Controlled Conditions
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/129567
- author
- Stubbs, J M ; Carrier, R ; Karlsson, Ola LU and Sundberg, D C
- organization
- publishing date
- 2003
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Progress in Colloid & Polymer Science
- volume
- 124
- pages
- 131 - 137
- publisher
- Springer
- external identifiers
-
- scopus:3042591240
- ISSN
- 0340-255X
- DOI
- 10.1007/b12156
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Polymer and Materials Chemistry (LTH) (011001041), Department of Chemistry (011001220)
- id
- 4a0478bd-44f7-47ee-8252-cba286f4ff61 (old id 129567)
- date added to LUP
- 2016-04-01 15:17:43
- date last changed
- 2022-01-28 04:37:44
@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}}, doi = {{10.1007/b12156}}, volume = {{124}}, year = {{2003}}, }