Slow Discharge Theory and Calculation of the Potential Drop across the Compact Layer at High Electrode Voltages.

A novel approach presented in this work allows one to calculate the potential drop across the compact layer in electrostatic atomization with high voltages applied at the electrode. Ionic conductor liquids employed in electrostatic atomization have a low dielectric constant, which causes almost all of the potential drop across the double layer to occur inside the compact layer. In the previous article of this group (Sankarn, A., et al. Langmuir 2017, 33, 1375-1384), it was shown that faradaic reactions in the kinetics-limited regime are responsible for liquid electrification in electrostatic atomization. Here, we apply the Frumkin slow discharge theory to calculate the electric potential at the interface of the compact and diffuse layers. The electric potential value at the interface of the compact and diffuse layers is required in computational models accounting for the discharge of counterions due to faradaic reactions when solving the ionic transport equations. The activation energy of the electron transfer reaction is calculated through the Marcus theory. Knowing the counterion flux value at the electrode surface from the concurrent experimental measurements, the ionic concentration and net charge distribution across the polarized diffuse layer are also found from the numerical simulations. Considering canola oil to be the ionic conductor liquid, two different examples are used to demonstrate the application of this approach to calculate the electric potential at the interface of compact and diffuse layers.

Theoretical and Numerical Study of Formation of Near-Electrode Layers in Ionic Conductor Liquids at High Voltages.

A novel approach is developed to predict the thickness of the equivalent one-dimensional Stern layer near conducting electrodes subjected to high voltage and carrying electric current. The nonspecific (nonelectric) ion adsorption responsible for the formation of the Stern compact layer at the electrode surface is attributed to the Langmuir-Brunauer-Emmett-Teller mechanism. The compact Stern layer is implied to be intrinsically two-dimensional and forming on the oxide or impurity islands on the electrode surface, which prevents electron transfer to or from the adsorbed ions. On the other hand, electrons are transferred through the open parts of the metallic electrode surface by electron transfer faradaic reactions characterized by the Frumkin-Butler-Volmer kinetics. Then, the one-dimensional Stern layer appears to be an approximation of the abovementioned two-dimensional model. In the framework of this model, the equivalent one-dimensional Stern layer thickness is predicted, rather than used as an adjustable parameter, as frequently done in the literature.

Computer simulation of the SARS-CoV-2 contamination risk in a large dental clinic.

COVID-19, caused by the SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) virus, has been rapidly spreading worldwide since December 2019, causing a public health crisis. Recent studies showed SARS-CoV-2's ability to infect humans via airborne routes. These motivated the study of aerosol and airborne droplet transmission in a variety of settings. This study performs a large-scale numerical simulation of a real-world dentistry clinic that contains aerosol-generating procedures. The simulation tracks the dispersion of evaporating droplets emitted during ultrasonic dental scaling procedures. The simulation considers 25 patient treatment cubicles in an open plan dentistry clinic. The droplets are modeled as having a volatile (evaporating) and nonvolatile fraction composed of virions, saliva, and impurities from the irrigant water supply. The simulated clinic's boundary and flow conditions are validated against experimental measurements of the real clinic. The results evaluate the behavior of large droplets and aerosols. We investigate droplet residence time and travel distance for different droplet diameters, surface contamination due to droplet settling and deposition, airborne aerosol mass concentration, and the quantity of droplets that escape through ventilation. The simulation results raise concerns due to the aerosols' long residence times (averaging up to 7.31 min) and travel distances (averaging up to 24.45 m) that exceed social distancing guidelines. Finally, the results show that contamination extends beyond the immediate patient treatment areas, requiring additional surface disinfection in the clinic. The results presented in this research may be used to establish safer dental clinic operating procedures, especially if paired with future supplementary material concerning the aerosol viral load generated by ultrasonic scaling and the viral load thresholds required to infect humans.