Temperature modulated polymer nanoparticle bonding: A numerical and experimental study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22330%2F20%3A43921237" target="_blank" >RIV/60461373:22330/20:43921237 - isvavai.cz</a>

Alternative codes found

RIV/60461373:22340/20:43921237

Result on the web

<a href="https://www.sciencedirect.com/science/article/pii/S0927775720306038" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0927775720306038</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.colsurfa.2020.125010" target="_blank" >10.1016/j.colsurfa.2020.125010</a>

Result language

angličtina

Original language name

Temperature modulated polymer nanoparticle bonding: A numerical and experimental study

Original language description

In this research, we investigated the impact of nanoparticle adhesive properties on the size of micro-clusters formed during shear-induced aggregation at different temperatures. To precisely control particle adhesion, we used nanoparticles with a core-shell structure, where the core is composed of polymethyl methacrylate and the shell is composed of a combination of polymethyl methacrylate and polybutylacrylate. Due to significantly different glass transition temperature (T-g) of these polymers, the core act as a hard-sphere, while the presence of polybutylacrylate in the shell, with a glass transition temperature of 50 degrees C, gives the surface mechanical softness upon increasing temperature. We observed that the size of the aggregates grow significantly when the temperature rises above T-g, indicating an increase of adhesive force between the nanoparticles. Under these conditions, the surface of the nanoparticles exhibits a transition from plastic to viscous behavior that allows core-shell nanoparticles to bond physically upon contact in a controlled coalescence effect. To further investigate the micro-mechanical behavior of the micro-clusters during aggregation, a numerical study of a simple shear flow setup using CFD-DEM with a customized particle interaction model was carried out. This model has the capability to describe non-contact as well as contact forces present in colloidal systems. Depending on the system temperature, the model can simulate either elastic, elastic-plastic or viscoplastic deformation between the interacting nanoparticles. Using this feature, it is demonstrated that it is possible to reproduce the experimentally observed growth in aggregates with temperature rise by simulating an increase in adhesion using primary particle mechanical parameters. Furthermore, these results clearly demonstrate the direct relation between surface properties of the nanoparticles with the macroscopic behavior of the colloidal system.

Czech name

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Czech description

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Type

J_imp - 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)

Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2020

Confidentiality

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

Name of the periodical

Colloids and Surfaces A: Physicochemical and Engineering Aspects

ISSN

0927-7757

e-ISSN

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Volume of the periodical

601

Issue of the periodical within the volume

SEP 20 2020

Country of publishing house

US - UNITED STATES

Number of pages

14

Pages from-to

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UT code for WoS article

000555839200004

EID of the result in the Scopus database

2-s2.0-85085972959