Assessment of the pseudopotential lattice-Boltzmann method for modeling multiphase fueldroplets

Juan Restrepo-Cano*, Francisco E. Hernández-Pérez, Hong G. Im

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


An improved pseudopotential lattice–Boltzmann model was proposed for simulating multiphase flow dynamics to describe fuel droplets, and its thermodynamic consistency was tested against the Peng–Robinson equation of state. The studied liquid fuels included paraffinic hydrocarbons with a different number of carbon atoms (C (Formula presented.) –C (Formula presented.)), methanol (CH (Formula presented.) OH), hydrogen (H (Formula presented.)), ammonia (NH (Formula presented.)), and water (H (Formula presented.) O). To improve accuracy and reduce the magnitude of the spurious currents, the multi-relaxation times collision operator was implemented and the forcing term was computed using the hybrid pseudopotential interaction force with an eighth-order isotropic degree. The pseudopotential lattice–Boltzmann model accurately predicted the equilibrium densities and captured satisfactorily the thermodynamic vapor-liquid coexistence curve given by the analytical solution of the Peng–Robinson equation of state for acentric factors ranging from (Formula presented.) 0.22 to 0.56, keeping the maximum average error for the liquid and vapor branches below 0.8% and 3.7%, respectively. Nevertheless, Peng–Robinson was found to be insufficiently accurate to replicate the actual thermodynamic state, especially for H (Formula presented.) O and CH (Formula presented.) OH, for which the results strongly deviated from the experimental vapor-liquid equilibrium densities and reached average errors for the vapor phase of nearly 28%. Furthermore, the surface tension ((Formula presented.)) was retrieved using the multiphase pseudopotential lattice–Boltzmann results and served to verify the thermodynamic consistency of the pseudopotential lattice–Boltzmann with respect to the parachor model. Lastly, the pseudopotential lattice–Boltzmann model was also shown to predict accurately the transient behavior of oscillating droplets. Overall, the enhanced model satisfactorily predicted the properties and behavior of the substances for a wide range of conditions.

Original languageEnglish (US)
Pages (from-to)186-196
Number of pages11
JournalInternational Journal of Spray and Combustion Dynamics
Issue number4
StatePublished - Dec 2023


  • curved interface
  • Lattice–Boltzmann
  • paraffinic hydrocarbons
  • phase equilibrium
  • thermodynamic consistency

ASJC Scopus subject areas

  • Automotive Engineering
  • Energy Engineering and Power Technology
  • General Physics and Astronomy


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