Monte Carlo simulation (MCS) is a computational technique widely used in exposure and risk assessment. However, the result of traditional health risk assessment based on the MCS method has always been questioned due to the uncertainty introduced in parameter estimation and the difficulty in result validation. Herein, data from a large-scale investigation of individual polycyclic aromatic hydrocarbon (PAH) exposure was used to explore the key factors for improving the MCS method. Research participants were selected using a statistical sampling method in a typical PAH polluted city. Atmospheric PAH concentrations from 25 sampling sites in the area were detected by GC-MS and exposure parameters of participants were collected by field measurement. The incremental lifetime cancer risk (ILCR) of participants was calculated based on the measured data and considered to be the actual carcinogenic risk of the population. Predicted risks were evaluated by traditional assessment method based on MCS and three improved models including concentration-adjusted, age-stratified, and correlated-parameter-adjusted Monte Carlo methods. The goodness of fit of the models was evaluated quantitatively by comparing with the actual risk. The results showed that the average risk derived by traditional and age-stratified Monte Carlo simulation was 2.6 times higher, and the standard deviation was 3.7 times higher than the actual values. In contrast, the predicted risks of concentration- and correlated-parameter-adjusted models were in good agreement with the actual ILCR. The results of the comparison suggested that accurate simulation of exposure concentration and adjustment of correlated parameters could greatly improve the MCS. The research also reveals that the social factors related to exposure and potential relationship between variables are important issues affecting risk assessment, which require full consideration in assessment and further study in future research.

Polycyclic aromatic hydrocarbons (PAHs) are an important class of pollutants in China. The land use regression (LUR) model has been used to predict the selected PAH concentrations and screen the key influencing factors. However, most previous studies have focused on particle-associated PAHs, and research on gaseous PAHs was limited. This study measured representative PAHs in both gaseous phases and particle-associated during the windy, non-heating and heating seasons from 25 sampling sites in different areas of Taiyuan City. We established separate prediction models of 15 PAHs. Acenaphthene (Ace), Fluorene (Flo), and benzo [g,h,i] perylene (BghiP) were selected to analyze the relationship between PAH concentration and influencing factors. The stability and accuracy of the LUR models were quantitatively evaluated using leave-one-out cross-validation. We found that Ace and Flo models show good performance in the gaseous phase (Ace: adj. R2 = 0.14–0.82; Flo: adj. R2 = 0.21–0.85), and the model performance of BghiP is better in the particle phase (adj. R2 = 0.20–0.42). Additionally, better model performance was observed in the heating season (adj R2 = 0.68–0.83) than in the non-heating (adj R2 = 0.23–0.76) and windy seasons (adj R2 = 0.37–0.59). Those gaseous PAHs were highly affected by traffic emissions, elevation, and latitude, whereas BghiP was affected by point sources. This study reveals the strong seasonal and phase dependence of PAH concentrations. Building separate LUR models in different phases and seasons improves the prediction accuracy of PAHs.