Quasi-molecular modeling of single supercooled large droplet impact

Vahid Abdollahi, Wagdi G. Habashi, Guido S. Baruzzi, Marco Fossati

Research output: Contribution to journalArticle

Abstract

A mesoscale model for droplet dynamics based on a quasi-molecular approach is proposed. It considers the interaction between quasi-molecules within a single liquid droplet, each quasi-molecule representing an agglomeration of a large number of actual water molecules. The goal is to improve the understanding of the dynamics of large droplet collisions over dry or wet surfaces at velocities typical of aeronautical applications. This detailed analysis will eventually be used to refine the macroscopic Eulerian description of the water impingement process by providing numerical correlations for splashing and bouncing phenomena relevant for in-flight icing applications. Based on the Equipartition Theorem, approaches for extracting macroscopic quantities such as temperature and transport coefficients from the quasi-molecular method are discussed. A proper choice of the free parameters of the model that leads to accurate values of the macroscopic properties is also addressed.
LanguageEnglish
Pages4560 - 4571
Number of pages12
JournalApplied Mathematical Modelling
Volume40
Issue number7-8
Early online date3 Dec 2015
DOIs
Publication statusPublished - 30 Apr 2016

Fingerprint

Molecular Modeling
Molecular modeling
Droplet
Molecules
Water
Equipartition
Agglomeration
Transport Coefficients
Collision
Liquid
Liquids
Interaction
Theorem
Model
Temperature

Keywords

  • quasi-molecular dynamics
  • supercooled large droplets
  • droplet impact
  • computational fluid dynamics
  • parallel computing

Cite this

Abdollahi, Vahid ; Habashi, Wagdi G. ; Baruzzi, Guido S. ; Fossati, Marco. / Quasi-molecular modeling of single supercooled large droplet impact. In: Applied Mathematical Modelling. 2016 ; Vol. 40, No. 7-8. pp. 4560 - 4571.
@article{a21421ddc394428aac82a5398402a1ab,
title = "Quasi-molecular modeling of single supercooled large droplet impact",
abstract = "A mesoscale model for droplet dynamics based on a quasi-molecular approach is proposed. It considers the interaction between quasi-molecules within a single liquid droplet, each quasi-molecule representing an agglomeration of a large number of actual water molecules. The goal is to improve the understanding of the dynamics of large droplet collisions over dry or wet surfaces at velocities typical of aeronautical applications. This detailed analysis will eventually be used to refine the macroscopic Eulerian description of the water impingement process by providing numerical correlations for splashing and bouncing phenomena relevant for in-flight icing applications. Based on the Equipartition Theorem, approaches for extracting macroscopic quantities such as temperature and transport coefficients from the quasi-molecular method are discussed. A proper choice of the free parameters of the model that leads to accurate values of the macroscopic properties is also addressed.",
keywords = "quasi-molecular dynamics, supercooled large droplets, droplet impact, computational fluid dynamics, parallel computing",
author = "Vahid Abdollahi and Habashi, {Wagdi G.} and Baruzzi, {Guido S.} and Marco Fossati",
year = "2016",
month = "4",
day = "30",
doi = "10.1016/j.apm.2015.11.043",
language = "English",
volume = "40",
pages = "4560 -- 4571",
journal = "Applied Mathematical Modelling",
issn = "0307-904X",
number = "7-8",

}

Quasi-molecular modeling of single supercooled large droplet impact. / Abdollahi, Vahid; Habashi, Wagdi G.; Baruzzi, Guido S.; Fossati, Marco.

In: Applied Mathematical Modelling, Vol. 40, No. 7-8, 30.04.2016, p. 4560 - 4571.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Quasi-molecular modeling of single supercooled large droplet impact

AU - Abdollahi, Vahid

AU - Habashi, Wagdi G.

AU - Baruzzi, Guido S.

AU - Fossati, Marco

PY - 2016/4/30

Y1 - 2016/4/30

N2 - A mesoscale model for droplet dynamics based on a quasi-molecular approach is proposed. It considers the interaction between quasi-molecules within a single liquid droplet, each quasi-molecule representing an agglomeration of a large number of actual water molecules. The goal is to improve the understanding of the dynamics of large droplet collisions over dry or wet surfaces at velocities typical of aeronautical applications. This detailed analysis will eventually be used to refine the macroscopic Eulerian description of the water impingement process by providing numerical correlations for splashing and bouncing phenomena relevant for in-flight icing applications. Based on the Equipartition Theorem, approaches for extracting macroscopic quantities such as temperature and transport coefficients from the quasi-molecular method are discussed. A proper choice of the free parameters of the model that leads to accurate values of the macroscopic properties is also addressed.

AB - A mesoscale model for droplet dynamics based on a quasi-molecular approach is proposed. It considers the interaction between quasi-molecules within a single liquid droplet, each quasi-molecule representing an agglomeration of a large number of actual water molecules. The goal is to improve the understanding of the dynamics of large droplet collisions over dry or wet surfaces at velocities typical of aeronautical applications. This detailed analysis will eventually be used to refine the macroscopic Eulerian description of the water impingement process by providing numerical correlations for splashing and bouncing phenomena relevant for in-flight icing applications. Based on the Equipartition Theorem, approaches for extracting macroscopic quantities such as temperature and transport coefficients from the quasi-molecular method are discussed. A proper choice of the free parameters of the model that leads to accurate values of the macroscopic properties is also addressed.

KW - quasi-molecular dynamics

KW - supercooled large droplets

KW - droplet impact

KW - computational fluid dynamics

KW - parallel computing

U2 - 10.1016/j.apm.2015.11.043

DO - 10.1016/j.apm.2015.11.043

M3 - Article

VL - 40

SP - 4560

EP - 4571

JO - Applied Mathematical Modelling

T2 - Applied Mathematical Modelling

JF - Applied Mathematical Modelling

SN - 0307-904X

IS - 7-8

ER -