A new detailed chemical model for indoor air pollution
A new detailed chemical model for indoor air pollution
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DOI：
10.1016/j.atmosenv.2006.09.038
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发表时间：
2007-02-01
影响因子：
5
通讯作者：
Carslaw, Nicola
中科院分区：
文献类型：
--
作者：
Carslaw, Nicola
一个详细的化学盒模型已被构建的基础上，一个全面的化学机制（主化学机制），调查室内空气化学在一个典型的城市住宅在英国。与以前的室内空气化学模拟研究不同，所采用的机制不包含任何简化，如集总或使用替代物种，从而比以前更深入地了解室内空气化学。化学机制经过修改，包括主要室内空气污染物的降解反应，包含约15，400个反应和4700种物质。结果表明，预测的室内OH自由基浓度高达4.0 × 10（5）分子cm（-3），仅比通常在室外观察到的低10-20倍，足以发生显著的化学循环。PAN型物种和有机硝酸盐的浓度被认为是重要的室内，达到几个ppb的浓度。敏感性测试强调，模拟OH浓度的最关键参数是光强度水平和空气交换率。在确定室内自由基浓度时，O-3和NOX的室外浓度也很重要。臭氧与烯烃和单萜的反应在产生新的自由基方面起着重要作用，这与光解反应是关键的自由基引发剂的户外不同。在自由基传播方面，HO 2与NO的反应对室内OH浓度的影响最深远。OH和RO 2之间的循环主要是通过与单萜物种的反应，而醇类在将OH转化为HO 2中起主要作用。令人惊讶的是，绝对反应速率与夏季在英国郊区环境中的户外观察到的反应速率相似。这项研究的结果强调了为其特定位置定制模型的重要性，以及未来室内空气测量自由基物种，硝化物种（如PAN和有机硝酸盐），室内观察到的波长范围内关键物种的光解率和室外空气污染物浓度的同步测量的必要性。(c)2006爱思唯尔有限公司保留所有权利。
A detailed chemical box model has been constructed based on a comprehensive chemical mechanism (the Master Chemical Mechanism) to investigate indoor air chemistry in a typical urban residence in the UK. Unlike previous modelling studies of indoor air chemistry, the mechanism adopted contains no simplifications such as lumping or the use of surrogate species, allowing more insight into indoor air chemistry than previously possible. The chemical mechanism, which has been modified to include the degradation reactions of key indoor air pollutants, contains around 15,400 reactions and 4700 species. The results show a predicted indoor OH radical concentration up to 4.0 x 10(5) molecule cm(-3), only a factor of 10-20 less than typically observed outdoors and sufficient for significant chemical cycling to take place. Concentrations of PAN-type species and organic nitrates are found to be important indoors, reaching concentrations of a few ppb. Sensitivity tests highlight that the most crucial parameters for modelling the concentration of OH are the light-intensity levels and the air exchange rate. Outdoor concentrations of O-3 and NOX are also important in determining radical concentrations indoors. The reactions of ozone with alkenes and monoterpenes play a major role in producing new radicals, unlike outdoors where photolysis reactions are pivotal radical initiators. In terms of radical propagation, the reaction of HO2 with NO has the most profound influence on OH concentrations indoors. Cycling between OH and RO2 is dominated by reaction with the monoterpene species, whilst alcohols play a major role in converting OH to HO2. Surprisingly, the absolute reaction rates are similar to those observed outdoors in a suburban environment in the UK during the summer. The results from this study highlight the importance of tailoring a model for its particular location and the need for future indoor air measurements of radical species, nitrated species such as PANs and organic nitrates, photolysis rates of key species over the range of wavelengths observed indoors and concurrent measurements of outdoor air pollutant concentrations. (c) 2006 Elsevier Ltd. All rights reserved.