Semiempirical H 2 SO 4 –H 2 O Cluster Standard Gibbs Reaction Energies from Nucleation Experiments: Improved Temperature Dependence
Semiempirical H 2 SO 4 –H 2 O Cluster Standard Gibbs Reaction Energies from Nucleation Experiments: Improved Temperature Dependence
复制标题
成核实验中的半经验 H 2 SO 4 →H 2 O 簇标准吉布斯反应能量：改进的温度依赖性
DOI：
10.1021/acs.jpca.2c04737
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Case, Amanda S.
中科院分区：
文献类型：
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作者：
Hanson, David R.;Case, Amanda S.
硫酸-水团簇的热力学对于模拟大气中新粒子的形成具有重要意义。用硫酸水成核(SAWNUC)模型对296K下光解流动反应器得到的颗粒数密度进行了高估。对SAWNUC模型进行的随温度变化的经验调整使之与296K时的数据符合得更好，同时与Hanson和LoveJoy在242K时的数据保持了合理的一致性，尽管这些调整导致了室温下模拟的粒子数密度的大幅度下降，但标准Gibbs反应能的变化都小于1kcal/mol。
The thermodynamics of sulfuric acid–water clusters is important for modeling new particle formation in the atmosphere. Particle number densities obtained at 296 K from a photolytic flow reactor are greatly overpredicted by the Sulfuric Acid Water Nucleation (SAWNUC) model. Empirical, temperature-dependent adjustments to the SAWNUC model allow for better agreement with the data obtained at 296 K, while maintaining reasonable agreement with the data of Hanson and Lovejoy at 242 K. Even though these adjustments result in extensive decreases in the modeled particle number densities at room temperature, the changes in the standard Gibbs reaction energies are all less than 1 kcal/mol.