Simon A. Mathias, Diogo Bolster, Sergii Veremieiev
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Two Film Approach to Continuum Scale Mixing and Dispersion with Equilibrium Bimolecular Reaction
Reliable reactive transport models require careful separation of mixing and dispersion processes. Here we treat displacing and displaced fluids as two separate fluid phases and invoke Whitman’s classical two-film theory to model mass transfer between the two phases. We use experimental data from Gramling’s bimolecular reaction experiment to assess model performance. Gramling’s original model involved just three coupled PDEs. In this context, our new formulation leads to a set of seven coupled PDEs but only requires the specification of two extra parameters, associated with the mass transfer coefficient and its dependence on time. The two film mass transfer model provides a simple and theoretically based method for separating mixing from dispersion in Eulerian continuum-scale methods. The advantage of this approach over existing methods is that it enables the simulation of equilibrium chemical reactions without having to invoke unrealistically small reaction rate coefficients. The comparison with Gramling’s experimental data confirms that our proposed method is suitable for simulating realistic and complicated bimolecular reaction behaviour. However, further work is needed to explore alternative methods for avoiding the need of a time-dependent mass transfer rate coefficient.
期刊介绍:
-Publishes original research on physical, chemical, and biological aspects of transport in porous media-
Papers on porous media research may originate in various areas of physics, chemistry, biology, natural or materials science, and engineering (chemical, civil, agricultural, petroleum, environmental, electrical, and mechanical engineering)-
Emphasizes theory, (numerical) modelling, laboratory work, and non-routine applications-
Publishes work of a fundamental nature, of interest to a wide readership, that provides novel insight into porous media processes-
Expanded in 2007 from 12 to 15 issues per year.
Transport in Porous Media publishes original research on physical and chemical aspects of transport phenomena in rigid and deformable porous media. These phenomena, occurring in single and multiphase flow in porous domains, can be governed by extensive quantities such as mass of a fluid phase, mass of component of a phase, momentum, or energy. Moreover, porous medium deformations can be induced by the transport phenomena, by chemical and electro-chemical activities such as swelling, or by external loading through forces and displacements. These porous media phenomena may be studied by researchers from various areas of physics, chemistry, biology, natural or materials science, and engineering (chemical, civil, agricultural, petroleum, environmental, electrical, and mechanical engineering).