Numerical Study of Soft Colloidal Nanoparticles Interaction in Shear Flow
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F18%3A43916539" target="_blank" >RIV/60461373:22340/18:43916539 - isvavai.cz</a>
Result on the web
<a href="https://pubs.acs.org/doi/10.1021/acs.langmuir.8b03350" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.langmuir.8b03350</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.langmuir.8b03350" target="_blank" >10.1021/acs.langmuir.8b03350</a>
Alternative languages
Result language
angličtina
Original language name
Numerical Study of Soft Colloidal Nanoparticles Interaction in Shear Flow
Original language description
The mechanical behavior of nanoparticle assemblies depends on complex particle interactions that are difficult to study experimentally. Depending on the nanoparticle morphology, these interactions could lead to adhesive and elastic-plastic behavior during contact deformation. The aim of this research is to study the effect of contact interactions between polymer nanoparticles and their impact on the macroscopic properties of formed aggregates. For this purpose, the discrete element method (DEM) was used to develop an interaction model combining elastic-plastic deformation and adhesion to study the behavior of spherical polymeric nanoparticles. Initially, a pair of particles interacting in the normal direction was simulated to evaluate the effect of adhesion and plastic deformation in the pull-off force of the contact. Based on these results, the simulations were extended to a dispersed system of nanoparticles, in which multibody interactions become dominant. Considering the aggregation between the nanoparticles induced by a shear flow, we performed an analysis of the number of aggregates and aggregates size in time to characterize the strength of clusters formed during the process. The simulation results showed that the interaction strength upon breakage of the clusters, correlating with the aggregates size, depends on the nanoparticle's softness. In this way, we verified that the type of contact interaction directly influences the macroscopic mechanical response of nanoparticle assemblies. Therefore, our model represents a new way of predicting the mechanical behavior of polymer nanoparticle systems and of optimizing it by adjusting primary particle properties. Copyright © 2018 American Chemical Society.
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/GA16-22997S" target="_blank" >GA16-22997S: Preparation of Porous Materials by Controlled Assembly of Nanoparticles</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Langmuir
ISSN
0743-7463
e-ISSN
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Volume of the periodical
34
Issue of the periodical within the volume
50
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
15600-15611
UT code for WoS article
000454183500055
EID of the result in the Scopus database
2-s2.0-85058769851