A mathematical model considering mass and momentum transfer was developed for simulation of ethanol dewatering via pervaporation process. The process involves removal of water from a water/ethanol liquid mixture using a dense polymeric membrane. The model domain was divided into two compartments including feed and membrane. For a description of water transport in ...

A finite difference lattice Boltzmann scheme for homogeneous mixture modeling, which recovers Maxwell-Stefan diffusion model in the continuum limit, without the restriction of the mixture-averaged diffusion approximation, was recently proposed [P. Asinari, Phys. Rev. E 77, 056706 (2008)]. The theoretical basis is the Bhatnagar-Gross-Krook-type kinetic model for gas mixtures [P. Andries, K. Aoki...

Self diffusion coefficients and binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. The study covers five pure fluids: neon, argon, krypton, xenon, and methane and three binary mixtures: argon+krypton, argon+xenon, and krypton+xenon. The fluids are modeled by spherical Lennard-Jones pair-potentials, with paramete...

it seems using the maxwell-stefan (m-s) diffusion model in combination with the vacancy solutiontheory (vst) and the single-component adsorption data provides a superior, qualitative, andquantitative prediction of diffusion in zeolites. in the m-s formulation, thermodynamic factor (г) isan essential parameter which must be estimated by an adsorption isotherm. researchers usually utilizethe simp...

2 Macroscopic modeling 5 2.1 Concentration measures, mixture velocity and diffusion fluxes . . . . . . . . 5 2.2 Species transport equation . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 2.3 Fick model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 2.4 Limits of Fick model: osmotic diffusion, reverse diffusion and diffusion barrier 8 2.5 Maxwell-Stefan mo...

This paper presents an extended multicomponent lattice Boltzmann model for the simulation of electrolytes. It is derived by means of a finite discrete velocity model and its discretization. The model recovers momentum and mass transport according to the incompressible Navier-Stokes equation and Maxwell-Stefan formulation, respectively. It includes external driving forces (e.g., electric field) ...

A polymer distribution is usually represented by its moments. Thus, to calculate transport in a system, formulation for the of moments needed. This only possible if close or there suitable closing condition. To archive this, two simplifications Stefan–Maxwell diffusion are derived, which convert equation polymeric species closed set equations The first approach corresponds an infinitely diluted...

the separation of olefin/paraffin mixtures is an important process in petrochemical industries, which is traditionally performed by low temperature distillation with a high-energy consumption, or complex extractive distillationand adsorption techniques. membrane separation process is emerging as an alternative for traditional separation processes with respect to low energy and simple operation....

Selfand binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. This study covers selfdiffusion coefficients at liquid states for eight pure fluids, i.e. F2, N2, CO2, CS2, C2H6, C2H4, C2H2 and SF6 as well as Maxwell-Stefan diffusion coefficients for three binary mixtures N2+CO2, N2+C2H6 and CO2+C2H6. The fluids were ...