Preprints
https://doi.org/10.5194/egusphere-2023-199
https://doi.org/10.5194/egusphere-2023-199
25 Apr 2023
 | 25 Apr 2023
Status: this preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).

A new steady-state gas/particle partitioning model of PAHs: Implication for the influence of the particulate proportion in emissions

Fu-Jie Zhu, Peng-Tuan Hu, and Wan-Li Ma

Abstract. Gas/particle (G/P) partitioning is an important atmospheric process for semi-volatile organic compounds (SVOCs). However, the exact prediction of the G/P partitioning coefficients (KP) of polycyclic aromatic hydrocarbons (PAHs) was still a challenge. In this study, a new steady-state G/P partitioning model was established based on the level III multimedia fugacity model, with the introduction of the particulate proportion of PAHs in emission (ϕ0) particularly. Same with the previous steady-state model, three different domains with different G/P partitioning behavior can be divided by the threshold values of log KOA (octanol-air partitioning coefficient). The difference between the new steady-state model and previous G/P partitioning models was quite different in different domains. It was found that the deviation with the KP of PAHs from the equilibrium state was caused by both the gaseous and particulate interferences, in which ϕ0 determined the influence of the two interferences. Different forms of the new steady-state model were observed under different values of ϕ0. The comparison with log KP of PAHs between the prediction result of the new steady-state model and the monitored results from 11 cities in China indicated that the ϕ0 was an important factor for the G/P partitioning of PAHs. In addition, the new steady-state model also showed good performance for the prediction of log KP of PAHs with totally gaseous emission and PBDEs with totally particulate emission. Therefore, it can be concluded that the ϕ0 should be considered in the study of G/P partitioning of PAHs, which also provided a new insight for other SVOCs.

Fu-Jie Zhu et al.

Status: open (until 06 Jun 2023)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2023-199', Anonymous Referee #1, 10 May 2023 reply

Fu-Jie Zhu et al.

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Short summary
A new steady-state gas/particle partitioning model of PAHs was established based on the level III multimedia fugacity model, which proved that the particulate proportion of PAHs in emission was a crucial factor for the G/P partitioning of PAHs. In addition, the gaseous and particulate interferences were also derived in the new steady-state model determined by the particulate proportion in emission, that could derivate the G/P partitioning coefficients from the equilibrium state.