ORACLE 2-D (v2.0): an efficient module to compute the volatility and oxygen content of organic aerosol with a global chemistry–climate model
ORACLE 2-D (v2.0): an efficient module to compute the volatility and oxygen content of organic aerosol with a global chemistry–climate model
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DOI：
10.5194/gmd-11-3369-2018
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发表时间：
2018-08
影响因子：
5.1
通讯作者：
A. Tsimpidi;V. Karydis;A. Pozzer;S. Pandis;J. Lelieveld
中科院分区：
文献类型：
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作者：
A. Tsimpidi;V. Karydis;A. Pozzer;S. Pandis;J. Lelieveld
抽象。开发并评价了一个模拟大气中有机气溶胶形成和演变的新模块-ORACLE 2-D。该模块计算由挥发性和氧碳比定义的二维空间中替代有机物种的浓度。该模型已被纳入EMAC全球化学-气候模型，并使用气溶胶质谱仪因子分析数据集对其性能进行了全面评价，该数据集来自2001-2010年期间全球开展的几乎所有主要实地活动。ORACLE 2-D使用简单的光化学老化方案，有效地模拟有机化合物的断裂和官能化的净效应。该模块不仅预测有机气溶胶（OA）组分的质量浓度，而且还预测它们的氧化态（以O：C表示），这使得它们可以分为初级OA（POA，化学未处理），新鲜的次级OA（SOA，低氧含量）和老化的SOA（高含氧）。明确的模拟化学OA转换从新鲜排放的化合物到高含氧状态的光化学老化过程中，使跟踪的吸湿性变化OA，从这些反应的结果。因此，ORACLE 2-D可以计算OA粒子作为云凝结核的能力，并作为量化OA气候影响的工具。
Abstract. A new module, ORACLE 2-D, simulating organic aerosol formation and evolution in the atmosphere has been developed and evaluated. The module calculates the concentrations of surrogate organic species in two-dimensional space defined by volatility and oxygen-to-carbon ratio. It is implemented into the EMAC global chemistry–climate model, and a comprehensive evaluation of its performance is conducted using an aerosol mass spectrometer (AMS) factor analysis dataset derived from almost all major field campaigns that took place globally during the period 2001–2010. ORACLE 2-D uses a simple photochemical aging scheme that efficiently simulates the net effects of fragmentation and functionalization of the organic compounds. The module predicts not only the mass concentration of organic aerosol (OA) components, but also their oxidation state (in terms of O : C), which allows for their classification into primary OA (POA, chemically unprocessed), fresh secondary OA (SOA, low oxygen content), and aged SOA (highly oxygenated). The explicit simulation of chemical OA conversion from freshly emitted compounds to a highly oxygenated state during photochemical aging enables the tracking of hygroscopicity changes in OA that result from these reactions. ORACLE 2-D can thus compute the ability of OA particles to act as cloud condensation nuclei and serves as a tool to quantify the climatic impact of OA.