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Steady-State Mass Balance Model for Predicting Particle-Gas Concentration Ratios of PBDEs

机译：用于预测PBDES粒子气浓度比的稳态质量平衡模型

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摘要

Assuming equilibrium partitioning between the gas and particle phases has been shown to overestimate the fraction of low-volatility chemicals in the particle phase. Here, we present a new steady-state mass balance model that includes separate compartments for fine and coarse aerosols and the gas phase and study its sensitivity to the input parameters. We apply the new model to investigate deviations from equilibrium partitioning by exploring model scenarios for seven generic aerosol scenarios representing different environments and different distributions of emissions as the gas phase, fine aerosol, and coarse aerosol. With 100% of emissions as the particle phase, the particle-gas concentration ratio in our model is similar to the equilibrium model, while differences are up to a factor of 10~6 with 100% of emissions as the gas phase. The particle-gas concentration ratios also depend on the particle size distributions and aerosol loadings in the different environmental scenarios. The new mass balance model can predict the particle-gas concentration ratio with more fidelity to measurements than equilibrium models. However, further laboratory-based evaluations and calibrations of the standard sampling techniques, field investigations with preferably size-resolved measurements of aerosol particle composition, together with the appropriate process modeling for low-volatility chemicals are warranted.
机译：假设已经显示出气体和颗粒相之间的平衡分配，以高估颗粒相中低挥发性化学物质的级分。在这里，我们提出了一种新的稳态质量平衡模型，包括用于精细和粗气溶胶的单独隔室和气相，并研究其对输入参数的敏感性。我们应用新模型来调查通过探索代表不同环境的七个通用气溶胶情景的模型情景和作为气相，细气溶胶和粗气溶胶的不同排放分布的模型方案来调查均衡分区的偏差。随着100％的排放作为粒子阶段，我们模型中的颗粒气浓度比类似于平衡模型，而差异高达10〜6的因子，随着气相为100％的排放量。颗粒 - 气体浓度比还取决于不同环境场景中的粒度分布和气溶胶载荷。新的质量平衡模型可以预测比均衡模型更多的粒子 - 气体浓度比测量。然而，有必要提供进一步的基于实验室的评价和标准取样技术的校准，具有优选尺寸分辨的气溶胶颗粒组合物的尺寸分辨测量，以及用于低挥发性化学品的适当工艺建模。

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  • 来源
    《Environmental Science & Technology》 |2021年第14期|9425-9433|共9页
  • 作者

    Fangyuan Zhao; Ilona Riipinen; Matthew MacLeod;

  • 作者单位

    Department of Environmental Science (ACES) Stockholm University 106 91 Stockholm. Sweden;

    Department of Environmental Science (ACES) Stockholm University 106 91 Stockholm Sweden;

    Department of Environmental Science (ACES) Stockholm University 106 91 Stockholm Sweden;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
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