A Multiscale Model for Restructuring of Atmospheric Soot Particles
大气烟灰颗粒重构的多尺度模型
基本信息
- 批准号:2222104
- 负责人:
- 金额:$ 61.96万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2022
- 资助国家:美国
- 起止时间:2022-11-01 至 2025-10-31
- 项目状态:未结题
- 来源:
- 关键词:
项目摘要
This project is focused on the development of a multiscale model to predict the evolution of soot particles during atmospheric processing. The nature of soot particles can change after emission through restructuring when they come in contact with trace gas chemicals and water vapor in the atmosphere. Advances in modeling the atmospheric processing of soot will help to reduce uncertainties in the atmospheric lifetime of soot and also will improve the assessment of the impacts of soot on air quality, human health, and climate.This effort will address outstanding questions on the origin and magnitude of changes to soot aggregates, including: (1) the stress induced by condensate located in junctions between monomers and monomer branches, and (2) the forces holding together the individual monomers. A Discrete Element Method (DEM) model will be developed in which soot restructuring is driven by stresses from a growing or shrinking layer of condensate and resisted by necks between monomers. The DEM model will be parameterized using atomic-level simulations and lab experiments. Experiments will be conducted using mass-mobility measurements, electron microscopy, and atomic force microscopy to obtain the required neck parameters (number and size distribution, strength, and atomic structure). Two major soot aging mechanisms will be considered: the condensation of trace-gas chemicals to form coatings, and the subsequent cloud processing of coated soot particles.This project will provide interdisciplinary training for graduate and undergraduate students and young researchers in a rich interdisciplinary environment.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.
本项目的重点是建立一个多尺度模型来预测烟尘颗粒在大气处理过程中的演变。烟灰颗粒在排放后与大气中的微量气体、化学物质和水蒸气接触后,会发生性质的改变。烟尘的大气过程模拟的进展将有助于减少烟尘在大气寿命中的不确定性,也将改进烟尘对空气质量、人类健康和气候影响的评估。这项工作将解决关于烟尘聚集体的起源和变化幅度的悬而未决的问题,包括:(1)由位于单体和单体分支之间连接处的冷凝水引起的应力,以及(2)将单个单体结合在一起的力。将开发一种离散元法(DEM)模型,在该模型中,煤烟重组是由来自增长或收缩的冷凝层的应力驱动的,并由单体之间的颈部抵抗。DEM模型将通过原子级模拟和实验室实验进行参数化。实验将使用质量迁移率测量、电子显微镜和原子力显微镜来获得所需的颈部参数(数量和尺寸分布、强度和原子结构)。将考虑两种主要的烟尘老化机制:微量气体化学物质凝结形成涂层,以及随后涂层烟尘颗粒的云处理。该项目将在丰富的跨学科环境中为研究生和本科生以及青年研究人员提供跨学科培训。该奖项反映了美国国家科学基金会的法定使命,并通过使用基金会的知识价值和更广泛的影响审查标准进行评估,被认为值得支持。
项目成果
期刊论文数量(0)
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会议论文数量(0)
专利数量(0)
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Alexei Khalizov其他文献
Role of stabilized Criegee Intermediate in secondary organic aerosol formation from the ozonolysis of a-cedrene
稳定 Criegee 中间体在α-雪松臭氧分解形成二次有机气溶胶中的作用
- DOI:
10.1016/j.atmosenv.2014.05.063 - 发表时间:
2014 - 期刊:
- 影响因子:5
- 作者:
Lei Yao;Yan Ma;Lin Wang;Jun Zheng;Alexei Khalizov;Mindong Chen;Yaoyao Zhou;Lu Qi;Fenping Cui - 通讯作者:
Fenping Cui
Exchange Reactions Alter Molecular Speciation of Gaseous Oxidized Mercury
交换反应改变气态氧化汞的分子形态
- DOI:
- 发表时间:
2021 - 期刊:
- 影响因子:3.4
- 作者:
Na Mao;Alexei Khalizov - 通讯作者:
Alexei Khalizov
Formation of highly hygroscopic soot aerosols by atmospheric processing with sulfuric acid vapor
硫酸蒸气常压处理形成高吸湿性烟灰气溶胶
- DOI:
- 发表时间:
2007 - 期刊:
- 影响因子:0
- 作者:
Alexei Khalizov;Renyi Zhang;Dan Zhang;H. Xue;J. Pagels;P. Mcmurry;J. Chen - 通讯作者:
J. Chen
Impacts of α-pinene ozonolysis products on the morphology and optical properties of black carbon
- DOI:
https://doi.org/10.1016/j.atmosenv.2024.120337 - 发表时间:
2024 - 期刊:
- 影响因子:
- 作者:
Cheng Yuan;Yan Ma;Alexei Khalizov;Lin Wang;Renyi Zhang - 通讯作者:
Renyi Zhang
Alexei Khalizov的其他文献
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{{ truncateString('Alexei Khalizov', 18)}}的其他基金
CAREER: Molecular Mechanism of Atmospheric Mercury through Speciation-Resolved Experiments
职业:通过形态解析实验研究大气汞的分子机制
- 批准号:
1554777 - 财政年份:2016
- 资助金额:
$ 61.96万 - 项目类别:
Continuing Grant
The 2016 ACS (American Chemical Society) Renyi Zhang Symposium; Philadelphia, Pennsylvania; August 21-25, 2016
2016 ACS(美国化学会)张仁义研讨会;
- 批准号:
1639103 - 财政年份:2016
- 资助金额:
$ 61.96万 - 项目类别:
Standard Grant
Collaborative Research: Kinetics and Mechanism of Restructuring of Atmospheric Soot and Associated Impact on Light Absorption
合作研究:大气烟尘重组的动力学和机制以及对光吸收的相关影响
- 批准号:
1463702 - 财政年份:2015
- 资助金额:
$ 61.96万 - 项目类别:
Standard Grant
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