The traffic congestion in the Hsuehshan tunnel and at the Toucheng interchange has led to traffic-related air pollution with increasing concern. To ensure the authenticity of our simulation, the concentration of the last 150 m in Hsuehshan tunnel was simulated using the computational fluid dynamics fluid model. The air quality at the Toucheng interchange along a 2 km length highway was simulated using the California Line Source Dispersion Model. The differences in air quality between rush hours and normal traffic conditions were also investigated. An unmanned aerial vehicle (UAV) with installed PM2.5 sensors was developed to obtain the three-dimensional distribution of pollutants. On different roads, during the weekend, the concentrations of pollutants such as SOx, CO, NO, and PM2.5 were observed to be in the range of 0.003–0.008, 7.5–15, 1.5–2.5 ppm, and 40–80 μg m− 3, respectively. On weekdays, the vehicle speed and the natural wind were 60 km h− 1 and 2.0 m s− 1, respectively. On weekdays, the SOx, CO, NO, and PM2.5 concentrations were found to be in the range of 0.002–0.003, 3–9, 0.7–1.8 ppm, and 35–50 μg m− 3, respectively. The UAV was used to verify that the PM2.5 concentrations of vertical changes at heights of 9.0, 7.0, 5.0, and 3.0 m were 45–48, 30–35, 25–30, and 50–52 μg m− 3, respectively. In addition, the predicted PM2.5 concentrations were 40–45, 25–30, 45–48, and 45–50 μg m− 3 on weekdays. These results provide a reference model for environmental impact assessments of long tunnels and traffic jam-prone areas. These models and data are useful for transportation planners in the context of creating traffic management plans.