The microscale simulation of ultrafine particle transport and deposition in fibrous filtration media was achieved with a novel particle tracking model using a 3D Monte Carlo model. The particle deposition process is governed by the convection–diffusion field. Simulations were performed by considering the fibrous filtration media as an array of identical parallel fibers, in which the flow field was accurately described by an analytical solution. The model of particle movement was described by the random probability distribution characterized by a dimensionless factor, the Peclet number (Pe), based on a convection–diffusive equation of particle transport in fluid. The influence of the particle Peclet number (Pe) on the particle deposition process and the resulting deposition morphology was investigated. The results were analyzed in terms of dust layer growth, particles’ trajectories and dust layer porosity for a vast range of Peclet numbers. The development of distinct deposition morphologies was found by varying the Peclet number (Pe). With a small Peclet number, diffusion dominated deposition and led to the formation of a more open and looser dust layer structure, while with larger Peclet numbers, convection dominated deposition and was found to form compact deposits. According to the change in the location of the packing densities along the dust layer height direction, the dust layer structure could be divided into three typical parts: the substructure, main profile and surface layer. In addition, the deposit morphologies observed for a high Pe were in good agreement with the experimental results found in the literature.

A three-dimensional Monte Carlo model was developed to simulate the deposition of aerosol particles onto horizontal solid surfaces. The random walk method was employed to solve the particle transport equation, which allowed obtaining the trajectory of particle motion by a combined mechanism of Brownian diffusion and gravity sedimentation. The particle transport mechanism was described in terms of a Peclet number (Pe). The local structures of the dust layer, the relationship between the structure of the dust layer and particle transport mechanisms, and the number of the particles attached to the solid surface were investigated. The results showed that for a small Pe, when Brownian diffusion was a controlling mechanism for aerosol transport, the dust layer might exhibit a more open and looser structure, while for a large Pe, the dust layer was dense and tight. The differences of deposition morphologies under different transport mechanisms were caused by the different random intensities of particle motion. There was an upper limit of the maximum number of particles attached to the surface, and it strongly depended on particle transport mechanisms and size distributions. Additionally, the deposit morphologies obtained with the 3D Monte Carlo model were in good agreement with the experimental results found in the literature.

This paper incorporates various currently known collection mechanisms (including Brownian diffusion, interception effect, inertial impaction, thermophoresis, diffusiophoresis, and electrostatic interaction) into the calculation of the total collection efficiency to analyze their impacts on the scavenging coefficient. The turbulent effect is introduced into the parametric study of the scavenging coefficient. Combining the local raindrop size distribution and aerosol size distribution, a theoretical prediction model for multi-fraction aerosol scavenging by rainfall is established and verified and corrected with measured data. The main conclusions are as follows: For particles within the accumulation mode range, the influence of the collision efficiency needs to be carefully considered. When studying the scavenging coefficient, it is necessary to combine the locally measured raindrop size distribution and aerosol size distribution. The influence of the aerosol size distribution on the scavenging coefficient under different seasonal conditions in the same area can be neglected. When the turbulent effect is introduced, the theoretical prediction is closer to the actual situation. In comparison with the actual measured PM_2.5 values in Guangzhou City, Hefei City, and Tianjin City, the temporal variation characteristics of PM_2.5 estimated by the theoretical model exhibit a substantial degree of consistency with the trends revealed by the measurement results. Additionally, a linear correlation is discernible between the scavenging coefficients obtained from field measurements in these three regions and those calculated by the theoretical model. Specifically, the equations of the linear relationships are Λ_s = 0.498 × 10⁻⁵ + 1.025Λ_m; Λ_s = 1.035Λ_m − 0.036 × 10⁻⁵; and Λ_s = 0.903Λ_m − 1.11 × 10⁻⁵.

Fibrous filters are widely used for aerosol control; however, the coupled effects of elliptical fiber geometry and orientation on diffusion-dominated nanoparticle capture and efficiency–resistance optimization remain insufficiently understood. This study develops a numerical framework to investigate the effects of fiber aspect ratio (ε = 1–4), attack angle (θ = 0–90°), packing density (C = 0.01–0.10), and particle diameter (d_p = 0.01–1 μm) on the diffusional collection efficiency, pressure drop, and quality factor of elliptical fibers. The airflow field is solved under steady laminar conditions, and particle trajectories are simulated using a Langevin-based Brownian motion model. The results show that elliptical fibers with moderate aspect ratios (ε ≤ 2) exhibit filtration characteristics comparable to circular fibers, whereas highly elongated fibers (ε = 4) provide enhanced particle capture by modifying near-fiber flow structures and increasing particle–fiber interactions. However, the benefits of increased aspect ratio depend strongly on fiber orientation and must be balanced against the associated pressure-drop penalty. Quality factor analysis reveals that the streamwise-aligned elliptical fiber configuration (ε = 4 and θ = 0°) achieves the best overall performance within the investigated parameter range by maintaining high collection efficiency while minimizing aerodynamic resistance. These findings demonstrate that elliptical fiber optimization requires simultaneous consideration of geometry and orientation and provide mechanistic guidance for designing energy-efficient fibrous filtration materials.