Aerosol dynamics simulations of the anatomical variability of e-cigarette particle and vapor deposition in a stochastic lung

Electronic cigarette (EC) aerosols are typically composed of a mixture of nicotine, glycerine (VG), propylene glycol (PG), water, acidic stabilizers and a variety of flavors. Inhalation of e-cigarette aerosols is characterized by a continuous modification of particle diameters, concentrations, composition and phase changes, and smoker-specific inhalation conditions, i.e. puffing, mouthhold and bolus inhalation. The dynamic changes of inhaled e-cigarette droplets in the lungs due to coagulation, conductive heat and diffusive heat/convective vapor transport and particle phase chemistry are described by the Aerosol Dynamics in Containment (ADiC) model. For the simulation of the variability of inhaled particle and vapor deposition, the ADiC model is coupled with the IDEAL Monte Carlo code, which is based on a stochastic, asymmetric airway model of the human lung. We refer to the coupled model as "IDEAL/ADIC_v1.0". In this study, two different ecigarettes were compared, one without any acid ("no acid") and the other one with an acidic regulator (benzoic acid) to establish an initial pH level of about 7 ("lower pH"). Corresponding deposition patterns among human airways comprise total and compound-specific number and mass deposition fractions, distinguishing between inhalation and exhalation phases and condensed and vapor phases. Note that the inhaled EC aerosol is significantly modified in the oral cavity prior to inhalation into the lungs. Computed deposition fractions demonstrate that total particle mass is preferentially deposited in the alveolar region of the lung during inhalation. While nicotine deposits prevalently in the condensed phase for the "lower pH" case, vapor phase deposition is dominating the "no acid" case. The significant statistical fluctuations of the particle and vapor deposition patterns illustrate the inherent anatomical variability of the human lung structure.