D-region ion–neutral coupled chemistry (Sodankylä IonChemistry, SIC) within the Whole Atmosphere Community Climate Model (WACCM 4)– WACCM-SIC and WACCM-rSIC
D-region ion–neutral coupled chemistry (Sodankylä IonChemistry, SIC) within the Whole Atmosphere Community Climate Model (WACCM 4)– WACCM-SIC and WACCM-rSIC
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DOI：
10.5194/gmd-9-3123-2016
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发表时间：
2016-09
影响因子：
5.1
通讯作者：
T. Kovács;J. Plane;W. Feng;Tibor Nagy;M. Chipperfield;P. Verronen;M. E. Andersson;D. Newnham;M. Clilverd;D. Marsh
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文献类型：
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作者：
T. Kovács;J. Plane;W. Feng;Tibor Nagy;M. Chipperfield;P. Verronen;M. E. Andersson;D. Newnham;M. Clilverd;D. Marsh
抽象。本研究提出一个新的离子中性化学模式耦合到整个大气社区气候模式（WACCM）。电离层D区（海拔50-90公里）的化学是基于索丹基拉离子化学模型，这是一个一维模型，包含307个离子中性和离子复合，中性物质、正负离子和电子的16个光解离和7个光电离反应。SIC机制使用模拟误差最小化连接性方法（SEM-CM）来简化，以产生27个正离子和18个负离子的181个离子-分子反应的181个离子-分子反应的反应方案。该方案描述了一组主要中性物种在20公里至120公里高度的浓度分布（HNO 3，O3，H2 O2，NO，NO2，HO 2，OH，N2 O 5）和离子（O2+，O4+，NO+，NO+（H2O），O2+（H2O），H+（H2O），H+（H2O）2，H+（H2O）3，H+（H2O）4，O3−，NO2−，O−，O2，OH−，O2 −（H2O），O2 −（H2O）2，O4−，CO3−，CO3−（H2O），CO4−，HCO3−，NO2−，NO3−，NO3−（H2O），NO3−（H2O）2、NO3−（HNO 3）、NO3 −（HNO 3）2、Cl−、ClO−），在5%的公差范围内与完整的SIC机制一致。然后进行了四个三维模型模拟，使用2005年1月太阳质子事件（SPE）对D区HOx和NOx化学的影响作为四个不同模型版本的测试案例：标准WACCM（无负离子和一组非常有限的正离子）; WACCM-SIC（标准WACCM，具有正离子和负离子的完整SIC化学性质）; WACCM-D（标准WACCM，具有SIC化学的启发式还原，最近用于检查SPE后的HNO 3形成）;和WACCM-rSIC（使用SEM-CM方法具有SIC化学还原的标准WACCM）。标准WACCM错过了HNO 3增强在SPE期间，而完整和简化的模型版本预测显着的NOx，HOx和HNO 3增强在中间层在太阳质子事件。的SEM-CM还原还确定了重要的离子-分子反应，影响奇数氮（NOx），奇数氢（HOx）和O3在平流层和中间层的分配。
Abstract. This study presents a new ion–neutral chemical model coupled into the Whole Atmosphere Community Climate Model (WACCM). The ionospheric D-region (altitudes ∼ 50–90 km) chemistry is based on the Sodankyla Ion Chemistry (SIC) model, a one-dimensional model containing 307 ion–neutral and ion recombination, 16 photodissociation and 7 photoionization reactions of neutral species, positive and negative ions, and electrons. The SIC mechanism was reduced using the simulation error minimization connectivity method (SEM-CM) to produce a reaction scheme of 181 ion–molecule reactions of 181 ion–molecule reactions of 27 positive and 18 negative ions. This scheme describes the concentration profiles at altitudes between 20 km and 120 km of a set of major neutral species (HNO3, O3, H2O2, NO, NO2, HO2, OH, N2O5) and ions (O2+, O4+, NO+, NO+(H2O), O2+(H2O), H+(H2O), H+(H2O)2, H+(H2O)3, H+(H2O)4, O3−, NO2−, O−, O2, OH−, O2−(H2O), O2−(H2O)2, O4−, CO3−, CO3−(H2O), CO4−, HCO3−, NO2−, NO3−, NO3−(H2O), NO3−(H2O)2, NO3−(HNO3), NO3−(HNO3)2, Cl−, ClO−), which agree with the full SIC mechanism within a 5 % tolerance. Four 3-D model simulations were then performed, using the impact of the January 2005 solar proton event (SPE) on D-region HOx and NOx chemistry as a test case of four different model versions: the standard WACCM (no negative ions and a very limited set of positive ions); WACCM-SIC (standard WACCM with the full SIC chemistry of positive and negative ions); WACCM-D (standard WACCM with a heuristic reduction of the SIC chemistry, recently used to examine HNO3 formation following an SPE); and WACCM-rSIC (standard WACCM with a reduction of SIC chemistry using the SEM-CM method). The standard WACCM misses the HNO3 enhancement during the SPE, while the full and reduced model versions predict significant NOx, HOx and HNO3 enhancements in the mesosphere during solar proton events. The SEM-CM reduction also identifies the important ion–molecule reactions that affect the partitioning of odd nitrogen (NOx), odd hydrogen (HOx) and O3 in the stratosphere and mesosphere.