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A novel model for predicting the semivolatile organic compound partition coefficient of multicomponent airborne particles

机译：预测多组分机载颗粒半挥发性有机化合物分配系数的新模型

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摘要

Semivolatile organic compounds (SVOCs) are highly susceptible to sorption by particles, so the presence of particles will have a significant impact on indoor SVOC distribution. The partition coefficient of SVOCs between the air and particles was closely related to indoor environmental parameters, particle composition, and physical structure. However, owing to the complexity of indoor particle composition and the variety of SVOCs, theoretical models of the particle partition coefficient are still not comprehensive in characterizing the SVOC sorption process by different components, and most only consider the sorption of elemental carbon and organic carbon. Studies have demonstrated that inorganic particles have nonnegligible sorption capacity on SVOCs. In this study, experimental results in the literature were compared with the theoretical values predicted by the widely used equilibrium model of the SVOC particle/gas partition coefficient. It was found that neglecting the inorganic components in particles led to a low predictive value of the partition coefficient. Therefore, based on the two-parameter equilibrium model, a novel model considering the sorption of SVOCs on inorganic substances was proposed. This model could describe the formation mechanism of the particle/air partition coefficient more comprehensively, and the experimental data in many relevant studies were used to verify the model. In addition, based on this model, the quantitative relationship between particle property and its sorption of SVOCs was calculated and analyzed. This study aimed to improve the predictive accuracy of indoor SVOC concentrations and help to make more accurate estimates of the risk of human health exposure in further research.
机译：半挥发性有机化合物（SVOC）极易被颗粒吸收，因此颗粒的存在将对室内SVOC分布产生重大影响。 SVOCs在空气和颗粒之间的分配系数与室内环境参数，颗粒组成和物理结构密切相关。然而，由于室内颗粒组成的复杂性和SVOC的多样性，颗粒分配系数的理论模型在表征不同组分对SVOC的吸附过程方面仍然不完善，并且大多数仅考虑元素碳和有机碳的吸附。研究表明，无机颗粒对SVOC的吸附能力不可忽略。在这项研究中，将文献中的实验结果与通过广泛使用的SVOC颗粒/气体分配系数平衡模型预测的理论值进行比较。发现忽略颗粒中的无机组分导致分配系数的低预测值。因此，基于两参数平衡模型，提出了一种考虑SVOCs在无机物上吸附的新模型。该模型可以更全面地描述颗粒/空气分配系数的形成机理，并通过许多相关研究的实验数据对该模型进行了验证。此外，基于该模型，计算并分析了颗粒性质与其对SVOCs的吸附之间的定量关系。这项研究旨在提高室内SVOC浓度的预测准确性，并有助于在进一步研究中更准确地估计人体健康暴露的风险。

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