Computational Fluid Dynamics and Discrete Dipole Approximation Applied to Predict Airborne Viruses Disinfection by Ultraviolet Irradiation

Abstract

Ultraviolet (UV) inactivation of airborne viruses involves coupled multiphysics and multiscale processes, yet UV scattering within virus-laden saliva droplets is commonly neglected. Here, for the first time we combine computational fluid dynamics (CFD) and the discrete dipole approximation (DDA) to investigate the influence of droplet-scale UV scattering on airborne virus inactivation. A benchmark CFD-DDA case study is developed and demonstrated that infected saliva droplets can exhibit highly non-uniform UV scattering under representative flow and irradiance conditions. This non-uniformity can substantially affect the predicted number of surviving viral copies, $N_s$ , indicating that UV scattering should be considered when modeling UV-based airborne disinfection systems. We systematically investigate the effect on $N_s$ by varying: the initially emitted saliva droplets diameter distribution, their number ($n(t=0)=10^3$ or $10^4$), volumetric airflow rate ($Q_v$ = 100, 150, or 200 $m^3/h$), droplet-wall interaction (stick vs escape), and coronavirus UV susceptibility constant (Z = 0.018 or 0.377 $m^2$/J). The simulations consider initially infected saliva droplets containing $7.4\times 10^8$ RNA copies/mL, with a viral capsid diameter of $d_{cap}$ = 100 nm, at an air temperature of 21 °C and relative humidity of 65%. UV irradiation is represented by a 10 W cylindrical UV-lamp (34.3 mW/$c{m}^2$). The DDA results further enable development of an extended virus-inactivation model based on the classical Chick-Watson law that accounts for UV scattering in both spherical and nonspherical infected droplets. The results highlight the importance of resolving local UV-droplet interactions in airborne virus disinfection models and demonstrate the potential of the coupled CFD-DDA approach for improving the design and performance of UV-based airborne disinfection systems.