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Published in 2020 at "Mathematical Methods in the Applied Sciences"
DOI: 10.1002/mma.6185
Abstract: We introduce a Darcy‐scale model to describe compressible multicomponent flow in a fully saturated porous medium. In order to capture cross‐diffusive effects between the different species correctly, we make use of the Maxwell–Stefan theory in…
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Keywords:
compressible multicomponent;
flow porous;
maxwell stefan;
multicomponent flow ... See more keywords
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Published in 2019 at "Advances in Computational Mathematics"
DOI: 10.1007/s10444-019-09674-0
Abstract: A fully discrete Galerkin scheme for a thermodynamically consistent transient Maxwell–Stefan system for the mass particle densities, coupled to the Poisson equation for the electric potential, is investigated. The system models the diffusive dynamics of…
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Keywords:
scheme;
galerkin scheme;
maxwell stefan;
convergence ... See more keywords
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Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.114735
Abstract: Self-, Maxwell-Stefan, and Fick diffusion coefficients of binary supercritical water mixtures (species 1: H2O, species 2: H2, CH4, CO, O2, CO2) at 673-973 K and 250 atm were calculated by molecular dynamic simulations using mean-squared displacement, Onsager…
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Keywords:
diffusion;
self maxwell;
maxwell stefan;
model ... See more keywords
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Published in 2017 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.7b00159
Abstract: The composition-dependent self- and Maxwell–Stefan (MS) diffusivities of binary and ternary mixtures consisting of polydimethylsiloxane (PDMS), nerve agent O-ethyl S-[2(diisopropylamino) ethyl] methylphosphonothioate (VX), and methanol are investigated using equilibrium molecular dynamics (MD) simulations. The intention…
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Keywords:
composition dependent;
stefan diffusivities;
maxwell stefan;
nerve agent ... See more keywords