A Robust Physics-Based Calculation of Evolving Gas-Liquid Interfaces

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F22%3A43925232" target="_blank" >RIV/60461373:22340/22:43925232 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.degruyter.com/document/doi/10.1515/jnet-2021-0080/html" target="_blank" >https://www.degruyter.com/document/doi/10.1515/jnet-2021-0080/html</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1515/jnet-2021-0080" target="_blank" >10.1515/jnet-2021-0080</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A Robust Physics-Based Calculation of Evolving Gas-Liquid Interfaces

Popis výsledku v původním jazyce

Density gradient theory describes the evolution of diffuse interfaces in both mixtures and pure substances by minimization of the total free energy, which consists of a non-convex bulk part and an interfacial part. Minimization of the bulk free energy causes phase separation while building up the interfacial free energy (proportional to the square of gradients of the species&apos; densities) and it results in the equilibrium shape of the interface. However, direct minimization of the free energy is numerically unstable and the coefficients in the interfacial part of the free energy are often estimated from experimental data (not determined from the underlying physics). In this paper we develop a robust physics-based numerical approach that leads to the interface density profiles for both pure substances and mixtures. The model is free of fitting parameters and validated by available experimental data.

Název v anglickém jazyce

A Robust Physics-Based Calculation of Evolving Gas-Liquid Interfaces

Popis výsledku anglicky

Density gradient theory describes the evolution of diffuse interfaces in both mixtures and pure substances by minimization of the total free energy, which consists of a non-convex bulk part and an interfacial part. Minimization of the bulk free energy causes phase separation while building up the interfacial free energy (proportional to the square of gradients of the species&apos; densities) and it results in the equilibrium shape of the interface. However, direct minimization of the free energy is numerically unstable and the coefficients in the interfacial part of the free energy are often estimated from experimental data (not determined from the underlying physics). In this paper we develop a robust physics-based numerical approach that leads to the interface density profiles for both pure substances and mixtures. The model is free of fitting parameters and validated by available experimental data.

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

2022

Kód důvěrnosti údajů

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

Název periodika

Journal of Non-Equilibrium Thermodynamics

ISSN

0340-0204

e-ISSN

1437-4358

Svazek periodika

47

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

12

Strana od-do

143-154

Kód UT WoS článku

000753915600001

EID výsledku v databázi Scopus

2-s2.0-85124567596