Quasi-molecular modeling of single supercooled large droplet impact

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

Research output: Contribution to journalArticle


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.
Original languageEnglish
Pages (from-to)4560 - 4571
Number of pages12
JournalApplied Mathematical Modelling
Issue number7-8
Early online date3 Dec 2015
Publication statusPublished - 30 Apr 2016


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

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