Calculation of droplet coalescence in binary liquid-liquid systems: An incompressible cahn-hilliard/navier-stokes approach using the non-random two-liquid model

Research output: Contribution to journalArticleResearchpeer-review

Abstract

Due to their lower costs regarding money and time compared to performing experiments, computer simulations grow in importance when developing industrial separation processes. On plant scales, process simulators are widely applied, and on particular scales, computational fluid dynamics (CFD) calculations can support design. In this work, the incompressible Cahn-Hilliard/Navier-Stokes equations and the non-random two-liquid (NRTL) model were applied to perform numerical simulations in order to investigate droplet interactions of extraction systems. In contrast to other CFD approaches, no assumptions regarding the evolution of drop size distributions are required. The impact of the influence parameter and mobility coefficient within this framework was studied for the first time. While the mobility coefficients show a low impact on the flow field, different values of the influence parameter can lead to completely different behavior, with low influence parameters causing small morphologies and requiring larger grid resolutions in the simulation. A method is proposed to incorporate various thermodynamic data like phase equilibrium, interfacial tension, and diffusion coefficients into CFD simulation. Especially, the interfacial tension is not a direct parameter but rather determines the density gradient theory (DGT) influence parameter and therefore enables us to consider the variation of interfacial tensions in a system with different temperatures or compositions.

Original languageEnglish
Number of pages12
JournalJournal of chemical and engineering data
DOIs
Publication statusE-pub ahead of print - 1 Jan 2019

Fingerprint

Coalescence
Surface tension
Computational fluid dynamics
Computer simulation
Liquids
Phase equilibria
Navier Stokes equations
Flow fields
Simulators
Thermodynamics
Chemical analysis
Costs
Experiments
Temperature

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

@article{12a8fd31e5994cb095ded90eb1a8c5ca,
title = "Calculation of droplet coalescence in binary liquid-liquid systems: An incompressible cahn-hilliard/navier-stokes approach using the non-random two-liquid model",
abstract = "Due to their lower costs regarding money and time compared to performing experiments, computer simulations grow in importance when developing industrial separation processes. On plant scales, process simulators are widely applied, and on particular scales, computational fluid dynamics (CFD) calculations can support design. In this work, the incompressible Cahn-Hilliard/Navier-Stokes equations and the non-random two-liquid (NRTL) model were applied to perform numerical simulations in order to investigate droplet interactions of extraction systems. In contrast to other CFD approaches, no assumptions regarding the evolution of drop size distributions are required. The impact of the influence parameter and mobility coefficient within this framework was studied for the first time. While the mobility coefficients show a low impact on the flow field, different values of the influence parameter can lead to completely different behavior, with low influence parameters causing small morphologies and requiring larger grid resolutions in the simulation. A method is proposed to incorporate various thermodynamic data like phase equilibrium, interfacial tension, and diffusion coefficients into CFD simulation. Especially, the interfacial tension is not a direct parameter but rather determines the density gradient theory (DGT) influence parameter and therefore enables us to consider the variation of interfacial tensions in a system with different temperatures or compositions.",
author = "Patrick Zimmermann and Andrew Mawbey and Tim Zeiner",
year = "2019",
month = "1",
day = "1",
doi = "10.1021/acs.jced.9b00493",
language = "English",
journal = "Journal of chemical and engineering data",
issn = "0021-9568",
publisher = "American Chemical Society",

}

TY - JOUR

T1 - Calculation of droplet coalescence in binary liquid-liquid systems

T2 - An incompressible cahn-hilliard/navier-stokes approach using the non-random two-liquid model

AU - Zimmermann, Patrick

AU - Mawbey, Andrew

AU - Zeiner, Tim

PY - 2019/1/1

Y1 - 2019/1/1

N2 - Due to their lower costs regarding money and time compared to performing experiments, computer simulations grow in importance when developing industrial separation processes. On plant scales, process simulators are widely applied, and on particular scales, computational fluid dynamics (CFD) calculations can support design. In this work, the incompressible Cahn-Hilliard/Navier-Stokes equations and the non-random two-liquid (NRTL) model were applied to perform numerical simulations in order to investigate droplet interactions of extraction systems. In contrast to other CFD approaches, no assumptions regarding the evolution of drop size distributions are required. The impact of the influence parameter and mobility coefficient within this framework was studied for the first time. While the mobility coefficients show a low impact on the flow field, different values of the influence parameter can lead to completely different behavior, with low influence parameters causing small morphologies and requiring larger grid resolutions in the simulation. A method is proposed to incorporate various thermodynamic data like phase equilibrium, interfacial tension, and diffusion coefficients into CFD simulation. Especially, the interfacial tension is not a direct parameter but rather determines the density gradient theory (DGT) influence parameter and therefore enables us to consider the variation of interfacial tensions in a system with different temperatures or compositions.

AB - Due to their lower costs regarding money and time compared to performing experiments, computer simulations grow in importance when developing industrial separation processes. On plant scales, process simulators are widely applied, and on particular scales, computational fluid dynamics (CFD) calculations can support design. In this work, the incompressible Cahn-Hilliard/Navier-Stokes equations and the non-random two-liquid (NRTL) model were applied to perform numerical simulations in order to investigate droplet interactions of extraction systems. In contrast to other CFD approaches, no assumptions regarding the evolution of drop size distributions are required. The impact of the influence parameter and mobility coefficient within this framework was studied for the first time. While the mobility coefficients show a low impact on the flow field, different values of the influence parameter can lead to completely different behavior, with low influence parameters causing small morphologies and requiring larger grid resolutions in the simulation. A method is proposed to incorporate various thermodynamic data like phase equilibrium, interfacial tension, and diffusion coefficients into CFD simulation. Especially, the interfacial tension is not a direct parameter but rather determines the density gradient theory (DGT) influence parameter and therefore enables us to consider the variation of interfacial tensions in a system with different temperatures or compositions.

UR - http://www.scopus.com/inward/record.url?scp=85072924271&partnerID=8YFLogxK

U2 - 10.1021/acs.jced.9b00493

DO - 10.1021/acs.jced.9b00493

M3 - Article

JO - Journal of chemical and engineering data

JF - Journal of chemical and engineering data

SN - 0021-9568

ER -