Environmental Photochemistry at the Air-Ice Interface

空气-冰界面的环境光化学

• 批准号: 1806210
• 负责人: Cort Anastasio
• 金额: $ 60万
• 依托单位: University of California-Davis
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-06-15 至 2023-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1806210&HistoricalAwards=false
• 关键词: Environmental; Photochemistry; Air; Ice; Interface

Professors Cort Anastasio and Davide Donadio of the University of California at Davis are funded by the Environmental Chemical Sciences Program in the Division of Chemistry to study chemical reactions that take place on the surfaces of ice and snow. Snow contains a variety of chemical contaminants, some of which are toxic. It was originally thought that contaminants in deposited snow are preserved, bit recent work shows that these chemicals can be degraded by sunlight. These photochemical reactions can remove toxic contaminants from the snow. However, they can also make toxic products, some of which are released to the air. Unfortunately, understanding of these processes is limited, in part because there are few studies. But there is also a discrepancy in the existing studies: some report that sunlight reactions are faster in snow than in water, while other studies find no difference.In this project, an understanding about how conditions (e.g., snow, ice) impact photochemistry are being investigated. As well, an understanding about the mechanisms responsible for making snow photochemistry faster are being considered. These goals are being pursued with a combination of laboratory experiments and modeling of chemical contaminants on snow. This project includes outreach to the public, highlighting the impact of chemistry on everyday life. It also includes activities at K-12 schools, and the training of undergraduate and graduate students.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

加州大学戴维斯分校的 Cort Anastasio 和 Davide Donadio 教授受到化学系环境化学科学项目的资助，研究冰雪表面发生的化学反应。雪含有多种化学污染物，其中一些是有毒的。 最初人们认为沉积的雪中的污染物会被保留下来，但最近的研究表明这些化学物质可以被阳光降解。 这些光化学反应可以去除雪中的有毒污染物。 然而，它们也会产生有毒产品，其中一些会释放到空气中。 不幸的是，对这些过程的理解是有限的，部分原因是研究很少。 但现有研究也存在差异：一些研究报告称，阳光在雪中的反应比在水中更快，而其他研究发现没有差异。在这个项目中，对条件（例如雪、冰）如何影响光化学的理解正在接受调查。 此外，人们还在考虑了解使雪光化学反应更快的机制。 这些目标是通过实验室实验和雪上化学污染物建模相结合来实现的。 该项目包括向公众宣传，强调化学对日常生活的影响。它还包括 K-12 学校的活动以及本科生和研究生的培训。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，认为值得支持。

项目成果

Enhanced photodegradation of dimethoxybenzene isomers in/on ice compared to in aqueous solution

与水溶液中相比，冰中/冰上二甲氧基苯异构体的光降解作用增强

• DOI: 10.5194/acp-2021-875
• 发表时间: 2021-11-01
• 期刊: Atmospheric Chemistry and Physics
• 影响因子: 6.3
• 作者: T. Hullar;T. Tran;Zekun Chen;F. Bononi;O. Palmer;D. Donadio;C. Anastasio
• 通讯作者: C. Anastasio

Structure and Dynamics of the Quasi-Liquid Layer at the Surface of Ice from Molecular Simulations

分子模拟冰表面准液体层的结构和动力学

• DOI: 10.1021/acs.jpcc.8b07724
• 发表时间: 2018-09
• 期刊: The Journal of Physical Chemistry C
• 作者: Kling, Tanja;Kling, Feli;Donadio, Davide
• 通讯作者: Donadio, Davide

Solvation Structure and UV–Visible Absorption Spectra of the Nitrate Anion at the Air–Ice Interface by First-Principles Molecular Simulations

通过第一原理分子模拟研究空气-冰界面硝酸根阴离子的溶剂化结构和紫外-可见吸收光谱

• DOI: 10.1021/acsearthspacechem.3c00127
• 发表时间: 2023-08-23
• 期刊: ACS Earth and Space Chemistry
• 影响因子: 3.4
• 作者: M. Berrens;Zekun Chen;Kam;C. Anastasio;D. Donadio
• 通讯作者: D. Donadio

Effect of sodium chloride adsorption on the surface premelting of ice

氯化钠吸附对冰表面预熔的影响

• DOI: 10.1039/d2cp02277j
• 发表时间: 2022-09
• 期刊: Physical Chemistry Chemical Physics
• 影响因子: 3.3
• 作者: Berrens, Margaret L.;Bononi, Fernanda C.;Donadio, Davide
• 通讯作者: Donadio, Davide

UV–Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning

通过量子化学机器学习获得溶剂化分子的紫外可见吸收光谱

• DOI: 10.1021/acs.jctc.1c01181
• 发表时间: 2022-08
• 期刊: Journal of Chemical Theory and Computation
• 影响因子: 5.5
• 作者: Chen, Zekun;Bononi, Fernanda C.;Sievers, Charles A.;Kong, Wang;Donadio, Davide
• 通讯作者: Donadio, Davide