Numerical simulations of a buoyant autocatalytic reaction front in tilted Hele-Shaw cells.

We present a numerical analysis of solutal buoyancy effects on the shape and the velocity of autocatalytic reaction fronts, propagating in thin tilted rectangular channels. We use two-dimensional (2D) lattice Bathnagar-Gross-Krook (BGK) numerical simulations of gap-averaged equations for the flow and the concentration, namely a Stokes-Darcy equation coupled with an advection-diffusion-reaction equation. We do observe stationary-shaped fronts, spanning the width of the cell and propagating along the cell axis. We show that the model accounts rather well for experiments we performed using an Iodate Arsenous Acid reaction propagating in tilted Hele-Shaw cells, hence validating our 2D modelization of a three-dimensional problem. This modelization is also able to account for results found for another chemical reaction (chlorite tetrathionate) in a horizontal cell. In particular, we show that the shape and the traveling velocity of such fronts are linked with an eikonal equation. Moreover, we show that the front velocity varies nonmonotonically with the tilt of the cell, and nonlinearly with the width of the cell.

Lock-exchange experiments with an autocatalytic reaction front.

A viscous lock-exchange gravity current corresponds to the reciprocal exchange of two fluids of different densities in a horizontal channel. The resulting front between the two fluids spreads as the square root of time, with a diffusion coefficient reflecting the buoyancy, viscosity, and geometrical configuration of the current. On the other hand, an autocatalytic reaction front between a reactant and a product may propagate as a solitary wave, namely, at a constant velocity and with a stationary concentration profile, resulting from the balance between molecular diffusion and chemical reaction. In most systems, the fluid left behind the front has a different density leading to a lock-exchange configuration. We revisit, with a chemical reaction, the classical situation of lock-exchange. We present an experimental analysis of buoyancy effects on the shape and the velocity of the iodate arsenous acid autocatalytic reaction fronts, propagating in horizontal rectangular channels and for a wide range of aspect ratios (1/3 to 20) and cylindrical tubes. We do observe stationary-shaped fronts, spanning the height of the cell and propagating along the cell axis. Our data support the contention that the front velocity and its extension are linked to each other and that their variations scale with a single variable involving the diffusion coefficient of the lock-exchange in the absence of chemical reaction. This analysis is supported by results obtained with lattice Bathnagar-Gross-Krook (BGK) simulations Jarrige et al. [Phys. Rev. E 81, 06631 (2010)], in other geometries (like in 2D simulations by Rongy et al. [J. Chem. Phys. 127, 114710 (2007)] and experiments in cylindrical tubes by Pojman et al. [J. Phys. Chem. 95, 1299 (1991)]), and for another chemical reaction Schuszter et al. [Phys. Rev. E 79, 016216 (2009)].

Application of the Bahe's pseudolattice-theory to water-1-butyl-3-methylimidazolium tetrafluoroborate (bmimBF(4)) mixtures at 298.15K Part I. Autoprotolysis constants.

The autoprotolysis constants (K(s)) of water - 1-butyl-3-methylimidazolium tetrafluoroborate (bmimBF(4)) mixtures were determined at 298K over the composition range of 0 to 77.43vol.% bmimBF(4) using potentiometric method with a glass electrode. A slight increase in the autoprotolysis constant was observed when the salt was added to the water. The value of the ionic product of the medium then decreases as the bmimBF(4) content increases from about 20vol.%. The acid-base properties of these media were perfectly described by Bahe's approaches that were completed by Varela et al. concerning structured electrolyte solutions with large short-range interactions.