Title: VOF-based simulation of reactive mass transfer across deformable interfaces

Authors: Dieter Bothe, Michael Kroger, Andreas Alke, Hans-Joachim Warnecke

Addresses: Mathematical Modeling and Analysis, Center of Smart Interfaces, Technical University of Darmstadt, Petersenstrabe 32, D- 64287 Darmstadt, Germany. ' Mathematical Modeling and Analysis, Center of Smart Interfaces, Technical University of Darmstadt, Petersenstrabe 32, D- 64287 Darmstadt, Germany. ' Mathematical Modeling and Analysis, Center of Smart Interfaces, Technical University of Darmstadt, Petersenstrabe 32, D- 64287 Darmstadt, Germany. ' Technische Chemie und Chemische Verfahrenstechnik, Fakultat fur Naturwissenschaften, Universitat Paderborn, Warburger Strabe 100, D- 33098 Paderborn, Germany

Abstract: In this paper, a Volume-of-Fluid (VOF)-based approach for the Direct Numerical Simulation (DNS) of reactive mass transfer in gas–liquid flows is described. At the interface, local thermodynamic equilibrium is assumed and modelled by Henry|s law. First numerical simulation results are presented for non-reactive and reactive mass transfer from rising gas bubbles to a surrounding liquid. For the evaluation of reactive mass transfer simulations with a consecutive, competitive reaction system in the liquid, a local selectivity is employed.

Keywords: VOF; volume-of-fluid; reactive mass transfer; local selectivity; deformable interfaces; direct numerical simulation; DNS; gas–liquid flows; modelling.

DOI: 10.1504/PCFD.2009.027363

Progress in Computational Fluid Dynamics, An International Journal, 2009 Vol.9 No.6/7, pp.325 - 331

Published online: 21 Jul 2009 *

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