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A lattice Boltzmann model for mixture modeling is developed by applying the multiple-relaxation-time (MRT) approach to the Hamel model, which allows one to derive from a general framework different model equations independently proposed, like the Gross-Krook model and the Sirovich model. By imposing some physical constraints, the MRT lattice-Boltzmann Hamel(More)
The transport of water in nanoconfined geometries is different from bulk phase and has tremendous implications in nanotechnology and biotechnology. Here molecular dynamics is used to compute the self-diffusion coefficient D of water within nanopores, around nanoparticles, carbon nanotubes and proteins. For almost 60 different cases, D is found to scale(More)
The artificial compressibility method for the incompressible Navier-Stokes equations is revived as a high order accurate numerical method (4th order in space and 2nd order in time). Similar to the lattice Boltzmann method, the mesh spacing is linked to the Mach number. The accuracy higher than that of the lattice Boltzmann method is achieved by exploiting(More)
A lattice Boltzmann scheme is developed for homogeneous mixture modeling, based on the multiple-relaxation-time (MRT) formulation, which fully recovers the Maxwell-Stefan diffusion model in the continuum limit with (a) external force and (b) tunable Schmidt number. The theoretical basis of the proposed MRT formulation is a recently proposed(More)
By realizing the insufficient degree of Galilean invariance of the traditional multiple-relaxation-time collision operators, Geier [Phys. Rev. E 73, 066705 (2006)] proposed to relax differently the moments shifted by the macroscopic velocity, leading to the so-called cascaded lattice Boltzmann method (LBM). This paper points out that (a) the cascaded LBM(More)
Taking advantage of a closed-form generalized Maxwell distribution function [P. Asinari and I. V. Karlin, Phys. Rev. E 79, 036703 (2009)] and splitting the relaxation to the equilibrium in two steps, an entropic quasiequilibrium (EQE) kinetic model is proposed for the simulation of low Mach number flows, which enjoys both the H theorem and a free-tunable(More)
A comprehensive understanding of molecular transport within nanoporous materials remains elusive in a broad variety of engineering and biomedical applications. Here, experiments and atomistic simulations are synergically used to elucidate the non-trivial interplay between nanopore hydrophilicity and surface barriers on the overall water transport through(More)