TY - JOUR

T1 - Mass conservative finite volume discretization of the continuity equations in multi-component mixtures

AU - Peerenboom, K.S.C.

AU - Dijk, van, J.

AU - Thije Boonkkamp, ten, J.H.M.

AU - Liu, L.

AU - Goedheer, W.J.

AU - Mullen, van der, J.J.A.M.

PY - 2011

Y1 - 2011

N2 - The Stefan-Maxwell equations for multi-component diffusion result in a system of coupled continuity equations for all species in the mixture. We use a generalization of the exponential scheme to discretize this system of continuity equations with the finite volume method. The system of continuity equations in this work is obtained from a non-singular formulation of the Stefan-Maxwell equations, where the mass constraint is not applied explicitly. Instead, all mass fractions are treated as independent unknowns and the constraint is a result of the continuity equations, the boundary conditions, the diffusion algorithm and the discretization scheme. We prove that with the generalized exponential scheme, the mass constraint can be satisfied exactly, although it is not explicitly applied. A test model from the literature is used to verify the correct behavior of the scheme.

AB - The Stefan-Maxwell equations for multi-component diffusion result in a system of coupled continuity equations for all species in the mixture. We use a generalization of the exponential scheme to discretize this system of continuity equations with the finite volume method. The system of continuity equations in this work is obtained from a non-singular formulation of the Stefan-Maxwell equations, where the mass constraint is not applied explicitly. Instead, all mass fractions are treated as independent unknowns and the constraint is a result of the continuity equations, the boundary conditions, the diffusion algorithm and the discretization scheme. We prove that with the generalized exponential scheme, the mass constraint can be satisfied exactly, although it is not explicitly applied. A test model from the literature is used to verify the correct behavior of the scheme.

U2 - 10.1016/j.jcp.2011.02.001

DO - 10.1016/j.jcp.2011.02.001

M3 - Article

VL - 230

SP - 3525

EP - 3537

JO - Journal of Computational Physics

JF - Journal of Computational Physics

SN - 0021-9991

IS - 9

ER -