Influence of Radical Distribution in a Polymer Particle during Emulsion Polymerization on Product Molecular Weight Distribution

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of Radical Distribution in a Polymer Particle during Emulsion Polymerization on Product Molecular Weight Distribution

Popis výsledku v původním jazyce

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. ©

Název v anglickém jazyce

Influence of Radical Distribution in a Polymer Particle during Emulsion Polymerization on Product Molecular Weight Distribution

Popis výsledku anglicky

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. ©

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20401 - Chemical engineering (plants, products)

Projekt

<a href="/cs/project/GA19-22834S" target="_blank" >GA19-22834S: Částicové modely polymerních latexů pro realistická časová a prostorová měřítka</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Industrial &amp; Engineering Chemistry Research

ISSN

0888-5885

e-ISSN

—

Svazek periodika

60

Číslo periodika v rámci svazku

29

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

10584-10594

Kód UT WoS článku

000679902600011

EID výsledku v databázi Scopus

2-s2.0-85110293249