The critical assessment of vapour pressure estimation methods for use in modelling the formation of atmospheric organic aerosol
The critical assessment of vapour pressure estimation methods for use in modelling the formation of atmospheric organic aerosol
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DOI：
10.5194/acp-10-749-2010
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发表时间：
2010-01-01
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.;McFiggans, G.
根据一组化合物的实验数据对一系列估算蒸气压力的模型进行了测试，这些化合物与通过气液分配形成的大气气溶胶特别相关。45个多官能团化合物的实验蒸汽压数据(All<；100pa)为估算技术提供了严格的测试，最近的络合基团贡献法提供了最好的总体结果。在一个与大气相关的例子中，还研究了蒸气压力误差对有机气-液分配形成的影响。在比较估算方法时，发现在典型大气条件下形成的有机气溶胶的质量对蒸气压力值的变化非常敏感。
A selection of models for estimating vapour pressures have been tested against experimental data for a set of compounds selected for their particular relevance to the formation of atmospheric aerosol by gas-liquid partitioning. The experimental vapour pressure data (all < 100 Pa) of 45 multifunctional compounds provide a stringent test of the estimation techniques, with a recent complex group contribution method providing the best overall results. The effect of errors in vapour pressures upon the formation of organic aerosol by gas-liquid partitioning in an atmospherically relevant example is also investigated. The mass of organic aerosol formed under typical atmospheric conditions was found to be very sensitive to the variation in vapour pressure values typically present when comparing estimation methods.