A new kinetic model for binary mixtures and its Lattice Boltzman (LB) discretization is presented. In the hydrodynamic limit the model recovers the Navier-Stokes and the Stefan-Maxwell binary diffusion equations. The thermodynamic consistency is ensured by the defined non-negative entropy production within the domain of applicability of the model. The present formulation is able to simulate mix...

Our study of abstract quasi-linear parabolic problems in time-weighted Lp-spaces, begun in [17], is extended in this paper to include singular lower order terms, while keeping low initial regularity. The results are applied to reactiondiffusion problems, including Maxwell-Stefan diffusion, and to geometric evolution equations like the surface-diffusion flow or the Willmore flow. The method pres...

We consider the Maxwell-Stefan model of diffusion in a multicomponent gaseous mixture. After focusing on the main differences with the Fickian diffusion model, we study the equations governing a three-component gas mixture. Mostly in the case of a tridiagonal diffusion matrix, we provide a qualitative and quantitative mathematical analysis of the model. We develop moreover a standard explicit n...

It seems using the Maxwell-Stefan (M-S) diffusion model in combination with the vacancy solution theory (VST) and the single-component adsorption data provides a superior, qualitative, and quantitative prediction of diffusion in zeolites. In the M-S formulation, thermodynamic factor (Г) is an essential parameter which must be estimated by an adsorption isotherm. Researchers usually utilize the ...

We investigate a coupling between the compressible Navier–Stokes–Fourier system and the full Maxwell-Stefan equations. This model describes the motion of chemically reacting heat-conducting gaseous mixture. The viscosity coefficients are density-dependent functions vanishing on vacuum and the internal pressure depends on species concentrations. By several levels of approximation we prove the gl...

The design and development of many separation and catalytic process technologies require a proper quantitative description of diffusion of mixtures of guest molecules within porous crystalline materials. This tutorial review presents a unified, phenomenological description of diffusion inside meso- and micro-porous structures. In meso-porous materials, with pore sizes 2 nm < d(p) < 50 nm, there...

Cadmium(II) is a toxic hazardous cation, whose presence in the environment causes great concern because of its bioaccumulation in organisms and bioamplification along food chain. Hence, the removal of cadmium compounds from industrial waters and wastewaters is particularly essential, which requires intensive experimental and modelling studies to deal with the problem. In this work, the ion exch...

In the preceding companion article, we reported high-temperature molecular dynamics (MD) simulations to trace single-molecule as well as collective mean square displacements over a range of temperatures (6001500 K) and loadings (infinite dilution to four benzenes per supercage) to evaluate respectively the selfdiffusivities and cooperative (alternatively Maxwell-Stefan) diffusivities of benzene...