Water confined in nanopores: spontaneous formation of microcavities

Molecular Dynamics simulations of water confined in nanometer sized, hydrophobic channels show that water forms localized cavities for pore diameter ~ 2.0 nm. The cavities present non-spherical shape and lay preferentially adjacent to the confining wall inducing a peculiar form to the liquid exposed surface. The regime of localized cavitation appears to be correlated with the formation of a vapor layer, as predicted by the Lum-Chandler-Weeks theory, implying partial filling of the pore

Control and optimization of a three-phase catalytic slurry intensified continuous chemical reactor

International audienceIntensified continuous mini-reactors working in high pressure and temperature conditions are particularly effective at coping with mass transfer limitations during three-phase catalytic reactions. They are highly non-linear, multivariable systems and behave differently from conventional batch, fed-batch or continuous non-intensified reactors. In this paper, the optimization and control of this new process are presented using a two-layer approach consisting of a hierarchical control structure with an optimization layer which calculates the set points for an advanced controller. The latter is based on the concavity of the entropy function and the use of thermodynamic availability as a Lyapunov function. The three-phase catalytic o-cresol hydrogenation performed under high pressure and temperature in a small-scale pilot of the RAPTOR® reactor designed by the French company AETGROUP SAS, is taken as a representative test example to illustrate the strategy. The performance of the control structure is illustrated by simulation