多氯二苯并对二恶英/呋喃(PCDD/Fs)是以气相和颗粒相存在于大气中的半挥发性有机化合物(SVOCs),长期持续存在,对环境和人类健康构成高风险。在这项研究中,PCDD/F测量是在2022年6月至2023年4月期间在市区进行的。为了了解PCDD/Fs的命运,研究了气体/颗粒(G/P)分配。尽管已经开发了各种模型来确定SVOC的G/P划分,PCDD/Fs通常仅使用logKp-logPL0、Junge-Pankow和Harner-Bidleman模型。在这项研究中,九种不同的型号(Junge-Pankow,Harner-Bidleman,Dachs-Eisenreich,李马杨,pp-LFER,mp-pp-LFER,QSPR,logKp-logPL0,logKp-logKOA)用于确定G/P分区。据我们所知,pp-LFER,本研究首次对PCDD/Fs的mp-pp-LFER和QSPR模型进行了评估。此外,模型在均衡(EQ)内的性能,在这项研究中,首次研究了PCDD/Fs的非平衡(NE)和最大分配(MP)域。因此,基于EQ域吸收的模型,发现NE域中的吸附以及MP域中的吸附和吸收机制可有效解释G/P跃迁。确定在G/P划分中不存在平衡情况。Junge-Pankow,pp-LFER,Li-Ma-Yang和QSPR模型对颗粒分数值的预测不足,而其他模型显示出较高的预测曲线。Li-Ma-Yang模型显示了与测量的颗粒分数值最接近的结果,并确定沉积机制在PCDD/Fs的G/P分配中具有不可忽视的重要性。其中一种新型号,pp-LFER模型,在高logKOA值下显示出显著的成功。mp-pp-LFER模型,高估了吸附机制的贡献,与测量值相比,显示出非常高的预测曲线。
Polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs) are semi-volatile organic compounds (SVOCs) existing in the atmosphere in the gas and particulate phase, remain persistent for a long time and pose a high risk to the environment and human health. In this study, PCDD/F measurements were made in an urban area between June 2022 and April 2023. In order to understand the fate of PCDD/Fs, the gas/particle (G/P) partitioning was studied. Although various models have been developed to determine the G/P partitioning of SVOCs, only logKp-logPL0, Junge-Pankow and Harner-Bidleman models are generally used for PCDD/Fs. In this study, nine different models (Junge-Pankow, Harner-Bidleman, Dachs-Eisenreich, Li-Ma-Yang, pp-LFER, mp-pp-LFER, QSPR, logKp-logPL0, logKp-logKOA) were employed to determine the G/P partitioning. To the best of our knowledge, pp-LFER, mp-pp-LFER and QSPR models were evaluated for PCDD/Fs for the first time in this study. In addition, the performance of the models within the equilibrium (EQ), non-equilibrium (NE) and maximum partitioning (MP) domain was investigated for PCDD/Fs for the first time in this study. Accordingly, models based on absorption in the EQ domain, adsorption in the NE domain and adsorption and absorption mechanisms in the MP domain were found to be effective in explaining the G/P transitions. It was determined that there is no equilibrium situation in the G/P partitioning. The Junge-Pankow, pp-LFER, Li-Ma-Yang and QSPR models under-predicted the particle fraction values while the other models showed a high prediction profile. The Li-Ma-Yang model showed the closest results to the measured particle fraction values, and it determined that deposition mechanisms are of non-negligible importance in the G/P partitioning of PCDD/Fs. One of the new models, the pp-LFER model, has shown remarkable success at high logKOA values. The mp-pp-LFER model, which overestimated the contribution of the adsorption mechanism, showed a very high prediction profile compared to the measured values.