Inversion of multicomponent diffusion equations

Modeling Solute Thermokinetics in LiCI-KCI Molten Salt for Nuclear Waste Separation

“…Nevertheless, as observed in the current investigation and in several experiments with electrolytic systems, negative as well as diverging MS diffusivities are within the constraints of the II law of thermodynamics. While negative MS diffusivities occur only for like-like ions in the simulations, as in experiments, a rational physical basis for the negative coefficients has been elusive [72]. To our knowledge the divergence of MS diffusivities has also not gained much attention.…”

Application of non-equilibrium thermodynamics and computer aided analysis to the estimation of diffusion coefficients in polymer solutions: The solvent evaporation method☆

“…The underlying relations between the various diffusion models were investigated by many researchers [35,39,46]. Regarding membrane and film formation modeling, most work relies on the Fick law combined with the Onsager-Fuos model [47,48].…”

“…As reviewed by Cussler [36,37], Taylor and Krishna [38], Matuszak and Donohue [39] the Stefan-Maxwell formulation was applied in many areas including membrane and film science, chromatography, controlled-release, adsorption, catalysis, extraction and absorption, and distillation.…”

Applicability of the linearized theory of the Maxwell–Stefan equations

“…1 and the review article. 8 As alternative to the Fickian theory, several diffusion models have been proposed; examples are the Onsager and Fouss equations, 9 the Wilke model and the Dusty-Gas model, 3 the Wilke-Bosanquet model, 5 the generalized Fick equations, 2 the Lattice Density Functional Theory, 10,11 and, in particular, the Maxwell-Stefan equations. 12,13 The Maxwell-Stefan model has several advantages compared to the (non-generalized) Fickian theory and to parts of the alternatives: it is rigorously derived, it is mass conservative, and it is consistent with the second law of thermodynamics.…”