Efficient Lagrangian scalar tracking method for reactive local mass transport simulation through porous media

Roman S. Voronov, Samuel B. van Gordon, Vassilios I. Sikavitsas, Dimitrios V. Papavassiliou

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

Mass transfer in the presence of chemical reactions for flows through porous media is of interest to many disciplines. The Lattice Boltzmann method (LBM) is particularly attractive in such cases due to the ease with which it handles complicated boundary conditions. However, useful Lagrangian information (such as solute survival distance, effective diffusivity, collision frequency) is challenging to obtain from the LBM. In this paper, we present a straightforward and efficient Lagrangian methodology (Lagrangian scalar tracking, LST) for performing solute transport simulations in the presence of heterogeneous, first-order, irreversible reactions, based on a velocity field obtained from LBM. The hybrid LST/LBM technique tracks passive mass markers that have two contributions to their movement: convective (obtained through interpolation of a previously obtained velocity field) and Brownian. Various Schmidt number solutes and different solute release modes can be modeled with a single solvent flow field using this method. Moreover, the mass markers can have a range of reaction rate coefficients. This allows for the exploration of the whole spectrum of first-order heterogeneous reaction rates with just a single simulation. In order to show the applicability of the LST/LBM scheme, results from a case study are presented in which the consumption of oxygen and/or nutrients within a porous bone tissue engineering scaffold is modeled under flow perfusion culturing conditions. Although the reactive LST methodology described in this paper compliments the LBM, it can also be used with any other flow simulation that can generate the velocity field.

Original languageEnglish (US)
Pages (from-to)501-517
Number of pages17
JournalInternational Journal for Numerical Methods in Fluids
Volume67
Issue number4
DOIs
StatePublished - Oct 10 2011
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Computational Mechanics
  • Mechanics of Materials
  • Mechanical Engineering
  • Computer Science Applications
  • Applied Mathematics

Keywords

  • Lagrangian methods
  • Lattice Boltzmann simulations
  • Reactive flows
  • Transport in porous media

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