Bubble nucleation in binary mixtures: A semiempirical approach

Abstract

We present a semiempirical approach to the density functional theory of bubble nucleation in binary mixtures. Intermolecular forces between solvent and solute molecules are modeled using Lennard-Jones potentials whose interaction parameters are determined by equilibrium properties of the pure liquids and the liquid mixtures. We study the temperature variation of the critical supersaturation for carbon dioxide, oxygen, nitrogen, and hydrogen dissolved in water at 1 atm pressure. Our results are consistent with experimental trends that show an ''inverse'' dependence of the nucleation rates on temperature for the case of hydrogen. In the different mixtures, critical nuclei for gas formation exhibit fluid densities at their centers that are a substantial fraction of the density of the corresponding pure liquids.

Towards maximal cell density predictions for polymeric foams

“…Leung et al also observed higher cell densities at lower temperatures and found the surface tension to have a minimal effect, as expected from SCFT. Such an "inverse" temperature dependence has been discussed in the context of non-polymeric nucleation by Talanquer et al [38,39]. It may seem counter-intuitive that surface tension becomes less important for small bubbles, since the surface to volume ratio will be higher and, as a result, the surface would be expected to be increasingly important.…”

Interface properties and bubble nucleation in compressible mixtures containing polymers

“…Talanquer and co-workers 18,19 have considered the nucleation of bubbles in binary mixtures. Intuitively, 54 one would expect that the nucleation rate increases with increasing temperature, but they find for certain parameters the inverse behavior, 18,19 i.e., a decrease of the nucleation rate with increasing temperature at fixed composition and pressure.…”

“…Intuitively, 54 one would expect that the nucleation rate increases with increasing temperature, but they find for certain parameters the inverse behavior, 18,19 i.e., a decrease of the nucleation rate with increasing temperature at fixed composition and pressure. Intriguingly, there is no qualitative difference between the structure of critical bubbles with normal and inverse nucleation rate behavior.…”

“…[10][11][12][13][14][15][16][17] There is, for instance, the possibility of a competition between a gas-liquid and a fluid-fluid phase separation in a compressible binary mixtures, and an anomalous decrease of the nucleation rate with temperature for certain parameters. 18,19 Understanding bubble nucleation is a key ingredient for controlling processability and materials properties. For instance, closed cell polymer foams find applications as packaging or insulation materials.…”

Density functional theory of gas–liquid phase separation in dilute binary mixtures

“…(59) and (63). Here, d Using DFT, Talanquer et al [66] calculated the density profiles of unstable critical bubbles at R = R c , where the solute is accumulated in the bubble interior and its density exhibits a mild maximum at the interface. In their molecular dynamics simulation, Yamamoto and Ohnishi [67] realized stable helium-rich nanobubbles in water.…”