海洋大气中含碘与含硫化合物协同成核机制的理论研究

海洋气溶胶在全球气溶胶系统中发挥着重要作用。含碘化合物可参与海洋气溶胶新粒子的成核过程，但现有成核机制仍不足以解释海洋地区新粒子高强度频发的现象。除含碘物质外，海洋大气中亦含有大量有潜力参与成核的含硫化合物。多种物质协同参与的成核机制可能是揭示海洋地区新粒子形成的关键。由于当前实时外场观测技术的局限性，海洋大气中含碘与含硫化合物的协同成核机制一直未被揭示，极大限制人们对海洋大气中新粒子形成的理解。本项目拟采用量子化学计算与大气团簇动力学模型相结合，从形成临界团簇的热力学和动力学两个角度阐明海洋大气中含碘和含硫化合物协同成核机制及不同海洋大气条件影响的规律。考虑到海洋大气中物种多样且环境复杂，该项目将是探索海洋大气新粒子事件高强度频发的关键，不仅可为建立海洋大气气溶胶成核模型及海洋大气环境的科学研究提供理论线索，还可为全面了解海洋-大气化学物质循环及其对气候变化的影响提供新思路。

Marine aerosol plays an important role in the global aerosol system. Although iodine-containing compounds can participate in the nucleation process of new particles, the existing nucleation mechanism still can not explain the highly extensive and frequent occurrence of new particles in the marine atmosphere. In addition to iodine-containing compounds, there are a large number of sulfur-containing compounds with the potential to participate in the nucleation in the marine atmosphere. Hence, the synergistic nucleation mechanism of multiple substances may be of key importance. Due to the limitation of key technology in the real-time field observations, the synergistic nucleation mechanism of iodine-containing and sulfur-containing compounds is still unrevealed, which greatly limits the understanding of the new particle formation in the marine atmosphere. In the present proposal, using the quantum chemical calculations combined with the Atmospheric Clusters Dynamic Code, the synergistic nucleation mechanism of iodine-containing and sulfur-containing compounds and the corresponding influence of marine atmospheric conditions will be investigated from the thermodynamic and kinetic perspectives of critical cluster formation. Considering the diversity of the marine atmospheric species and the complexity of the environment, this proposal can be of key importance to explore the highly extensive and frequent occurrence of new particle formation events. It can not only provide the theoretical clues for the establishment of the nucleation model for marine atmospheric aerosol and the scientific research of marine atmospheric environment but also provide new ideas for the comprehensive understanding of the marine-atmospheric chemical cycle and its impacts on climate changes.