On using variable molecular masses in multicomponent lattice Boltzmann simulations

Harry E.A. Van den Akker*, Renske Donkers, Githin T. Zachariah, Orest Shardt

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

1 Citation (Scopus)
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The option of varying the molecular mass in multicomponent lattice Boltzmann simulations is being explored. First, results are presented for droplet formation at an aperture in a second immiscible liquid medium in which the difference in density between the two media is achieved by introducing asymmetry in the EOS, via adding particularly intra-component interaction forces in a pseudo-potential LB model. The second application for models with variable molecular masses is a single-phase heterogeneous laminar-flow tubular chemical reactor, where the molecular masses of reactants and products differ. In this application, tuning the molecular mass requires modification of the standard equilibrium distribution function as well as the use of an extended velocity set, in our case D2Q13. The method is validated against analytical solutions for canonical 1-D diffusion-reaction cases. In both the droplet formation study and the chemical reactors, the results of the exploratory 2-D simulations look qualitatively correct.

Original languageEnglish
Article number101432
JournalJournal of Computational Science
Publication statusPublished - 2021


  • Droplet formation
  • Lattice Boltzmann
  • Multicomponent
  • Tubular reactor
  • Variable speed of sound


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