Numerical Study of Soft Colloidal Nanoparticles Interaction in Shear Flow

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Numerical Study of Soft Colloidal Nanoparticles Interaction in Shear Flow

Popis výsledku v původním jazyce

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&apos;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.

Název v anglickém jazyce

Numerical Study of Soft Colloidal Nanoparticles Interaction in Shear Flow

Popis výsledku anglicky

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&apos;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.

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/GA16-22997S" target="_blank" >GA16-22997S: Příprava porézních materiálú pomocí kontrolovaného uspořádání nanočástic</a><br>

Návaznosti

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

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Langmuir

ISSN

0743-7463

e-ISSN

—

Svazek periodika

34

Číslo periodika v rámci svazku

50

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

15600-15611

Kód UT WoS článku

000454183500055

EID výsledku v databázi Scopus

2-s2.0-85058769851