Diffusion-reaction problems occur commonly in heat and mass transfer analysis. In the particular case of a multilayer body under certain conditions, such are known to result imaginary eigenvalues that indicate divergence temperature/concentration field at large times. For small values reaction coefficient, past work has derived conditions which an eigenvalue may exist. This generalizes this by ...

In this work, a new algorithm is proposed to compute single particle (infinite dilution) thermodiffusion using nonequilibrium molecular dynamics simulations through the estimation of the thermophoretic force that applies on a solute particle. This scheme is shown to provide consistent results for model nanofluids in the liquid state (spherical nonmetallic nanoparticles+Lennard-Jones fluid) wher...

Collective diffusion is investigated within the kinetic lattice gas model for systems of particles in one dimension with repulsive long-range interactions which are known to result in a staircaselike phase diagram with an infinite sequence of incompressible crystalline phases separated one from another by unstable compressible liquidlike phases. Using a recently proposed Gortel and Załuska-Kotu...

Accurate determination of activity coefficients of water in a binary triethylene glycol (TEG)-water system, is of prime concern in designing the natural gas dehydration process. In this work, a hybrid model (a combination of information diffusion theory and neural network) and a so-called diffusion neural network (DNN) have been developed for the prediction of activity coefficients of a binary ...

Flow of two immiscible, incompressible fluids in a porous medium is typically described by a nonlinear advection-diffusion equation for one of the fluid saturations. The diffusion coefficient, which represents the effect of capillary forces on the fluids, is zero when the medium is locally saturated by either fluid since in these limiting cases the effects of capillary forces tend to zero. This...