Prediction of the gas/particle partitioning quotient of PAHs based on ambient temperature

Abstract

Gas/particle (G/P) partitioning is an important influencing factor for the environmental fate of semi-volatile organic compounds (SVOCs). The G/P partitioning of polycyclic aromatic hydrocarbons (PAHs) is an integrated complex process due to its formation and growth concurrently with particles. Based on the large dataset of gaseous and particulate samples in a wide ambient temperature range of 50 °C, the simple empirical equations based on ambient temperature were established to predict the G/P partitioning quotient (K_P) of PAHs at the temperature range from 252 K to 307 K (-21 °C to 34 °C). The performance of the empirical equations was validated by comparison with the monitoring K_P of PAHs worldwide. The empirical equations exhibited good performance for the prediction of K_P of PAHs based on ambient temperature. Two deviations with the prediction lines of the previous G/P partitioning models from the monitoring data of K_P were observed. It was found that the deviations might be attributed to some non-considered influencing factors with the previous G/P partitioning prediction models. Therefore, further research should be conducted to study the mechanism of the G/P partitioning of PAHs, and more influencing factors should be introduced into the establishment of G/P partitioning models of PAHs. In summary, the result of the present study provided a convenient method for the prediction of K_P of PAHs, which should be useful for the study of environmental fate of PAHs in atmosphere.

Keywords: Empirical equation; Equilibrium-state model; Gas/particle partitioning; Influence of temperature; Steady-state model.