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Mass diffusion in multicomponent gas mixtures is governed by a coupled system of linear equations for the diffusive mass fluxes in terms of thermodynamic driving forces, known as the generalized Stefan–Maxwell equation. In computations of mass diffusion in multicomponent gas mixtures, this coupling between the different components results in considerable computational overhead. Consequently, simplified diffusion models for the diffusive mass fluxes as explicit functions of the driving forces are an attractive alternative. These models can be interpreted as an approximate solution to the Stefan–Maxwell equation. Simplified diffusion models require the specification of “effective” diffusion coefficients which are usually expressed as functions of the binary diffusion coefficients of each species pair in the mixture. Current models for the effective diffusion coefficients are incapable of providing  a priori  control over the error incurred in the approximate solution.

Minimum Error Fickian Diffusion Coefficients for Mass Diffusion in Multicomponent Gas Mixtures