We present benchmark calculations using several long-range-corrected (LRC) density functionals, in which Hartree-Fock exchange is incorporated asymptotically using a range-separated Coulomb operator, while local exchange is attenuated using an ansatz introduced by Iikura et al. [J. Chem. Phys. 115, 3540 (2001)]. We calculate ground-state atomization energies, reaction barriers, ionization energ...

Generating aerosol droplets via the atomization of thin aqueous films with high frequency surface acoustic waves (SAWs) offers several advantages over existing nebulization methods, particularly for pulmonary drug delivery, offering droplet sizes in the 1-5-μm range ideal for effective pulmonary therapy. Nevertheless, the physics underlying SAW atomization is not well understood, especially in ...

A detailed numerical investigation of turbulent liquid jets in quiescent air is conducted, with the focus on the processes leading to liquid atomization. Spectral refinement of the interface is employed to provide an accurate description of the phase interface, even at the subcell level. The ghost fluid method is used to handle the different material properties of the phases and the surface ten...

This paper compares numerical simulations with experiments to study the deformation of lean premixed spherically expanding flames under a negative direct current (DC) electric field. The experiments, including the flame deformation and the ionic distribution on the flame surface were investigated in a mesh to mesh electric field. Besides, a numerical model of adding an electric body force to th...

Reduction of nitric oxides (NOx) in aircraft engines and in gas turbines by lean combustion is of great interest in the design of novel combustion systems. However, the stabilization of the flame under lean conditions is a main issue. In this context, the present work investigates the effects of sinusoidal dielectric barrier discharge (DBD) on a lean inverse diffusive methane/air flame in a Bun...