Influence of Radical Distribution in a Polymer Particle during Emulsion Polymerization on Product Molecular Weight Distribution
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F21%3A43922889" target="_blank" >RIV/60461373:22340/21:43922889 - isvavai.cz</a>
Result on the web
<a href="https://pubs-acs-org.ezproxy.vscht.cz/doi/10.1021/acs.iecr.1c00356" target="_blank" >https://pubs-acs-org.ezproxy.vscht.cz/doi/10.1021/acs.iecr.1c00356</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.iecr.1c00356" target="_blank" >10.1021/acs.iecr.1c00356</a>
Alternative languages
Result language
angličtina
Original language name
Influence of Radical Distribution in a Polymer Particle during Emulsion Polymerization on Product Molecular Weight Distribution
Original language description
During emulsion polymerization, at least two phases are present: a continuous aqueous phase and dispersed polymer particles in which most of the polymerization reaction occurs. A water-soluble initiator forms a radical that enters the particle at its surface, where the polymerization starts. Thus, the probability of finding a radical near the surface might be high. The probability is dependent on specific reaction kinetics, so a random walk model and simplified diffusion-reaction model are developed in this work to determine whether a significant radical distribution in the particle can occur. Furthermore, for the cases in which radical distribution is relevant, a hybrid kinetic Monte Carlo model, which was previously developed for relevant real industrial processes, was extended to consider 3D spatial dislocation of molecules and radicals. The results of the extended spatially distributed model are compared to those of the original uniform particle model for linear polymerization as well as those for polymerization with long chain branching to determine whether previously predominantly used models can be far away from physical reality. The presented results are, namely, the influence of radical distribution on molecular weight distribution and chain branching as representations of polymer properties which consequently highly influence polymer viscosity and other macroscopic properties. ©
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20401 - Chemical engineering (plants, products)
Result continuities
Project
<a href="/en/project/GA19-22834S" target="_blank" >GA19-22834S: Particle-based models of polymer latexes at realistic temporal and spatial scales</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Industrial & Engineering Chemistry Research
ISSN
0888-5885
e-ISSN
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Volume of the periodical
60
Issue of the periodical within the volume
29
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
10584-10594
UT code for WoS article
000679902600011
EID of the result in the Scopus database
2-s2.0-85110293249