Coupling and evaluating gas/particle mass transfer treatments for aerosol simulation and forecast
Coupling and evaluating gas/particle mass transfer treatments for aerosol simulation and forecast
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DOI：
10.1029/2007jd009588
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发表时间：
2008-06
影响因子：
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通讯作者：
Xiao‐Ming Hu;Yang Zhang;M. Jacobson;C. Chan
中科院分区：
文献类型：
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作者：
Xiao‐Ming Hu;Yang Zhang;M. Jacobson;C. Chan
[1]在三维空气质量模式（AQM）中模拟气体/颗粒物的质量传输是后报和预报的主要挑战之一。缺乏一个有效的，但准确的气溶胶模拟和预测在3-D空气质量模型的气体/颗粒的传质处理值得发展，改进和评估。在本文中，几个冷凝/蒸发方案（例如，Bott、轨迹网格（T-G）、Walcek和冷凝分析预测器（APC））首先在仅冷凝情况下进行测试。APC和Walcek计划被证明是更准确的Bott和T-G计划。Walcek和APC计划，然后纳入模型的气溶胶动力学，反应，电离和溶解（马德里）明确解决气体/颗粒的传质过程。与马德里的测试模拟初始化与测量可从三个站点具有代表性的气象和排放特性。使用基准的动力学方法与500节的所有情况下，从两个站点的可用测量的基础上的结果进行评估。箱马德里测试表明，本体平衡方法无法预测半挥发性物质的分布（例如，铵，氯化物和硝酸盐），因为平衡和内部混合物的假设。混合方法在某些情况下表现出与体积平衡方法相同的问题，因为它假设细颗粒的体积平衡。动力学方法（包括APC和Walcek计划的冷凝/蒸发方程）预测最准确的解决方案。在所有测试的方法中，体积平衡方法是计算效率最高的，动力学/Walcek方案提供了一个准确的解决方案，但由于其需要一个小的时间步长是最慢的。总体而言，动力学/APC和混合/APC计划是有吸引力的3-D应用程序的精度和计算效率。
[1] Simulating gas/particle mass transfer in three-dimensional (3-D) air quality models (AQMs) represents one of the major challenges for both hindcasting and forecasting. The lack of an efficient yet accurate gas/particle mass transfer treatment for aerosol simulation and forecast in 3-D AQMs warrants its development, improvement, and evaluation. In this paper, several condensation/evaporation schemes (e.g., the Bott, Trajectory-Grid (T-G), Walcek, and analytical predictor of condensation (APC)) are first tested in a condensation-only case. The APC and Walcek schemes are shown to be more accurate than the Bott and T-G schemes. The Walcek and the APC schemes are then incorporated into the Model of Aerosol Dynamics, Reaction, Ionization, and Dissolution (MADRID) to solve the gas/particle mass transfer process explicitly. The test simulations with MADRID are initialized with measurements available from three sites with representative meteorological and emission characteristics. The results are evaluated using benchmark based on the kinetic approach with 500-section for all cases and available measurements from two sites. The box MADRID tests have shown that the bulk equilibrium approach fails to predict the distribution of semivolatile species (e.g., ammonium, chloride, and nitrate) because of the equilibrium and internal mixture assumptions. The hybrid approach exhibits the same problem for some cases as the bulk equilibrium approach since it assumes bulk equilibrium for fine particles. The kinetic approaches (including the APC and Walcek schemes for the condensation/evaporation equations) predict the most accurate solutions. Among all approaches tested, the bulk equilibrium approach is the most computationally efficient, and the kinetic/Walcek scheme provides an accurate solution but is the slowest due to its requirement for a small time step. Overall, the kinetic/APC and hybrid/APC schemes are attractive for 3-D applications in terms of both accuracy and computational efficiency.