The sensitivity of secondary organic aerosol (SOA) component partitioning to the predictions of component properties - Part 3: Investigation of condensed compounds generated by a near-explicit model of VOC oxidation
The sensitivity of secondary organic aerosol (SOA) component partitioning to the predictions of component properties - Part 3: Investigation of condensed compounds generated by a near-explicit model of VOC oxidation
复制标题
DOI：
10.5194/acp-11-13145-2011
复制
发表时间：
2011-01-01
影响因子：
6.3
通讯作者：
McFiggans, G.
中科院分区：
文献类型：
--
作者：
Barley, M. H.;Topping, D.;McFiggans, G.
使用多种方法计算了二次有机气溶胶成分的吸收分配，以估计蒸汽压和非理想性。预测的冷凝组分的质量，挥发性，O：C比，摩尔质量和功能分布的估计方法的选择的敏感性进行了研究，在混合物中产生的近明确的大气VOC降解机制的约2700种化合物。所有指标的灵敏度与先前报道的灵敏度（使用10 000个半随机生成的化合物）相当。此外，预测的气溶胶特性和组成的变化与不断变化的VOC排放情景进行了研究，显示相对人为和生物的贡献的关键依赖。最后，非理想性的贡献不断变化的冷凝组分的分布进行了探讨，在有效挥发度的转变凭借组件的活度系数，清楚地表明增强和减少组件的质量与负和正偏离理想。
Calculations of the absorptive partitioning of secondary organic aerosol components were carried out using a number of methods to estimate vapour pressure and non-ideality. The sensitivity of predicted condensed component masses, volatility, O:C ratio, molar mass and functionality distribution to the choice of estimation methods was investigated in mixtures of around 2700 compounds generated by a near explicit mechanism of atmospheric VOC degradation. The sensitivities in terms of all metrics were comparable to those previously reported (using 10 000 semi-randomly generated compounds). In addition, the change in predicted aerosol properties and composition with changing VOC emission scenario was investigated showing key dependencies on relative anthropogenic and biogenic contributions. Finally, the contribution of non-ideality to the changing distribution of condensed components was explored in terms of the shift in effective volatility by virtue of component activity coefficients, clearly demonstrating both enhancement and reduction of component masses associated with negative and positive deviations from ideality.