Application of dissipative particle dynamics for study of coalescence and rheology of emulsion systems

Kód výsledku v IS VaVaI

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Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Application of dissipative particle dynamics for study of coalescence and rheology of emulsion systems

Popis výsledku v původním jazyce

In this work we focus on the study of emulsion systems, which are the interest of plentiful number of applications. Emulsions are systems of two or more immiscible fluids. Examples of emulsions can be found in food industry, pharmacy, paints and plastics. Stability of emulsion systems is determined by the coalescence and breakup of disperse particles. Both phenomena take place on a very small spatial and time scale (the so-called meso-scale) and are difficult to measure. We decided to approach these important phenomena with computer modelling. We use a method called the Dissipative Particle Dynamics (DPD). It is a stochastic simulation method well suited for the modeling of phenomena, which take place on the meso-scale. DPD uses discrete elements that represent just a few molecules of a specific matter. These particles interact with each other by conservative, dissipative and random force and the evolution of their positions is governed by the second Newton's law. For the determination of the viscosity we use a stress tensor in a simple shear model. At this point, we are able to simulate and predict the characteristic time of coalescence and show the influence of the surfactant molecules to the stability of disperse system. Currently, we are focused on the study of viscosity, which strongly affects the behaviour of emulsion systems. Viscosity is a directly measurable quantity and can be well used for validation of the model

Název v anglickém jazyce

Application of dissipative particle dynamics for study of coalescence and rheology of emulsion systems

Popis výsledku anglicky

In this work we focus on the study of emulsion systems, which are the interest of plentiful number of applications. Emulsions are systems of two or more immiscible fluids. Examples of emulsions can be found in food industry, pharmacy, paints and plastics. Stability of emulsion systems is determined by the coalescence and breakup of disperse particles. Both phenomena take place on a very small spatial and time scale (the so-called meso-scale) and are difficult to measure. We decided to approach these important phenomena with computer modelling. We use a method called the Dissipative Particle Dynamics (DPD). It is a stochastic simulation method well suited for the modeling of phenomena, which take place on the meso-scale. DPD uses discrete elements that represent just a few molecules of a specific matter. These particles interact with each other by conservative, dissipative and random force and the evolution of their positions is governed by the second Newton's law. For the determination of the viscosity we use a stress tensor in a simple shear model. At this point, we are able to simulate and predict the characteristic time of coalescence and show the influence of the surfactant molecules to the stability of disperse system. Currently, we are focused on the study of viscosity, which strongly affects the behaviour of emulsion systems. Viscosity is a directly measurable quantity and can be well used for validation of the model

Druh

D - Stať ve sborníku

CEP obor

CI - Průmyslová chemie a chemické inženýrství

OECD FORD obor

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Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název statě ve sborníku

Proceedings 43rd International Conference of the Slovak Society of Chemical Engineering

ISBN

978-80-89597-35-2

ISSN

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e-ISSN

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Počet stran výsledku

14

Strana od-do

1-14

Název nakladatele

Slovak Society of Chemical Engineering

Místo vydání

Bratislava

Místo konání akce

Tatranské Matliare

Datum konání akce

23. 5. 2016

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

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