Stabilizing effect of surrounding gas flow on a plane liquid sheet

The stability of a plane liquid sheet is studied experimentally and theoretically, with an emphasis on the effect of the surrounding gas. Co-blowing with a gas velocity of the same order of magnitude as the liquid velocity is studied, in order to quantify its effect on the stability of the sheet. Experimental results are obtained for a water sheet in air at Reynolds number Rel = 3000 and Weber number W e = 300, based on the half-thickness of the sheet at the inlet, water mean velocity at the inlet, the surface tension between water and air and water density and viscosity. The sheet is excited with different frequencies at the inlet and the growth of the waves in the streamwise direction is measured. The growth rate curves of the disturbances for all air flow velocities under study are found to be within 20 % of the values obtained from a local spatial stability analysis, where water and air viscosities are taken into account, while previous results from literature assuming inviscid air overpredict the most unstable wavelength with a factor 3 and the growth rate with a factor 2. The effect of the air flow on the stability of the sheet is scrutinized numerically and it is concluded that the predicted disturbance growth scales with (i) the absolute velocity difference between water and air (inviscid effect) and (ii) the square root of the shear from air on the water surface (viscous effect).

Stabilizing effect of surrounding gas flow on a plane liquid sheet

The stability of a plane liquid sheet is studied experimentally and theoretically, with an emphasis on the effect of the surrounding gas. Co-blowing with a gas velocity of the same order of magnitude as the liquid velocity is studied, in order to quantify its effect on the stability of the sheet. Experimental results are obtained for a water sheet in air at Reynolds number Rel = 3000 and Weber number We = 300, based on the half-thickness of the sheet at the inlet, water mean velocity at the inlet, the surface tension between water and air and water density and viscosity. The sheet is excited with different frequencies at the inlet and the growth of the waves in the streamwise direction is measured. The growth rate curves of the disturbances for all air flow velocities under study are found to be within 20% of the values obtained from a local spatial stability analysis, where water and air viscosities are taken into account, while previous results from literature assuming inviscid air overpredict the most unstable wavelength with a factor 3 and the growth rate with a factor 2. The effect of the air flow on the stability of the sheet is scrutinized numerically and it is concluded that the predicted disturbance growth scales with (i) the absolute velocity difference between water and air (inviscid effect) and (ii) the square root of the shear from air on the water surface (viscous effect).

QM/MM simulation of liquid water with an adaptive quantum region.

The simulation of complex chemical systems often requires a multi-level description, in which a region of special interest is treated using a computationally expensive quantum mechanical (QM) model while its environment is described by a faster, simpler molecular mechanical (MM) model. Furthermore, studying dynamic effects in solvated systems or bio-molecules requires a variable definition of the two regions, so that atoms or molecules can be dynamically re-assigned between the QM and MM descriptions during the course of the simulation. Such reassignments pose a problem for traditional QM/MM schemes by exacerbating the errors that stem from switching the model at the boundary. Here we show that stable, long adaptive simulations can be carried out using density functional theory with the BLYP exchange-correlation functional for the QM model and a flexible TIP3P force field for the MM model without requiring adjustments of either. Using a primary benchmark system of pure water, we investigate the convergence of the liquid structure with the size of the QM region, and demonstrate that by using a sufficiently large QM region (with radius 6 Å) it is possible to obtain radial and angular distributions that, in the QM region, match the results of fully quantum mechanical calculations with periodic boundary conditions, and, after a smooth transition, also agree with fully MM calculations in the MM region. The key ingredient is the accurate evaluation of forces in the QM subsystem which we achieve by including an extended buffer region in the QM calculations. We also show that our buffered-force QM/MM scheme is transferable by simulating the solvated Cl(-) ion.