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Hyperspectral Extinction and Emission Spectroscopy of Nascent Soot: Insight into Electronic Structure and Morphology

新生烟灰的高光谱消光和发射光谱：深入了解电子结构和形态

基本信息

批准号：
1706757
负责人：
John Miller
金额：
$ 33.31万
依托单位：
George Washington University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-09-01 至 2022-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1706757&HistoricalAwards=false
关键词：
Hyperspectral Extinction Emission Spectroscopy Nascent

项目摘要

Approximately 80% of the energy consumed in the United States annually is produced through combustion processes, and soot (or black carbon) is a by-product of incomplete combustion. Soot is known to have harmful impacts on the earth's climate and human health, and climate scientists have found that black carbon is the second most important man-made climate-forcing agent, falling between carbon dioxide and methane. Small-sized particles, of which soot is a dominant contributor, are thought to be responsible for a range of cardiovascular and respiratory problems and may act as a carrier for toxic combustion by-products, introducing further health effects. Thus, reducing emissions of soot from combustion processes is a critically important goal, and developing a fundamental understanding of the chemical and physical processes in combustion systems that lead to soot will be necessary. In this project, researchers are performing laser-based optical diagnostic studies aimed at understanding a critical phase in the soot formation process. These experiments are being complemented and informed by computational chemistry calculations. The results of the project will include data that will be of relevance to the combustion research community, as well as other scientists exploring the role of black carbon precursors in interstellar space and their potential use here on Earth in electronics and solar energy conversion. Finally, this project is helping to train and prepare graduate students for careers in STEM fields. This research project is based upon the hypothesis that soot inception begins with the agglomeration of polycyclic aromatic hydrocarbon (PAH) species that are large enough to "stick" at flame temperatures. This project involves several new experiments designed to address this idea as well as competing models for particulate inception, and they are: (1) Broadband, cavity-enhanced absorption/extinction measurements in the near infrared spectral region for both molecular and particulate species. (2) Two-dimensional excitation/emission studies through the ultraviolet and visible to gain insight in aromatic electronic structure. (3) Wavelength-agile, angle-resolved scattering measurements to define particle fractal morphology. (4) Extension of the computational chemistry to evaluate electronic structure's role in thermodynamic stability, band gaps, and spectroscopic properties of PAH and their aggregates. (5) Application of a suite of solid-state diagnostics to thermophoretically sampled particulate including infrared and Raman spectroscopies and optical and electron microscopies.

在美国，每年大约80%的能源消耗是通过燃烧过程产生的，而烟灰（或黑碳）是不完全燃烧的副产品。众所周知，煤烟对地球气候和人类健康有有害影响，气候科学家发现，黑碳是第二重要的人为气候强迫因素，排在二氧化碳和甲烷之间。以煤烟为主要成分的小颗粒被认为是造成一系列心血管和呼吸问题的原因，并可能作为有毒燃烧副产物的载体，对健康造成进一步影响。因此，减少燃烧过程中烟尘的排放是一个至关重要的目标，对导致烟尘的燃烧系统中的化学和物理过程有一个基本的了解是必要的。在这个项目中，研究人员正在进行基于激光的光学诊断研究，旨在了解烟灰形成过程中的关键阶段。这些实验正由计算化学计算加以补充和提供信息。该项目的结果将包括与燃烧研究界相关的数据，以及其他科学家探索黑碳前体在星际空间中的作用及其在地球上在电子和太阳能转换方面的潜在用途。最后，该项目有助于培养和准备研究生在STEM领域的职业生涯。这个研究项目是基于一个假设，即烟尘的形成始于多环芳烃（PAH）物种的聚集，这些物种足够大，可以在火焰温度下“粘住”。该项目涉及几个新的实验，旨在解决这一想法以及颗粒开始的竞争模型，它们是：(1)在近红外光谱区域对分子和颗粒物种进行宽带，腔增强吸收/消光测量。(2)通过紫外和可见光的二维激发/发射研究来了解芳香族电子结构。(3)波长敏捷、角度分辨散射测量来定义颗粒分形形态。(4)扩展计算化学，以评估电子结构在多环芳烃及其聚集体的热力学稳定性、带隙和光谱特性中的作用。(5)将一套固态诊断技术应用于热反射取样颗粒，包括红外和拉曼光谱以及光学和电子显微镜。

项目成果

期刊论文数量（7）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Enhancing foam fire suppression analysis through CO2 TDLAS quantification

通过 CO2 TDLAS 量化增强泡沫灭火分析

DOI：
10.1016/j.firesaf.2021.103488
发表时间：
2022
期刊：
Fire Safety Journal
影响因子：
3.1
作者：
Hinnant, Katherine M.;Giles, Spencer L.;Ananth, Ramagopal;Miller, J. Houston
通讯作者：
Miller, J. Houston

The distillation curve and sooting propensity of a typical jet fuel

DOI：
10.1016/j.fuel.2018.07.099
发表时间：
2019-01-01
期刊：
FUEL
影响因子：
7.4
作者：
Saggese, Chiara;Singh, Ajay V.;Wang, Hai
通讯作者：
Wang, Hai

Examination of the electronic structure of oxygen-containing PAH dimers and trimers

DOI：
10.1016/j.proci.2018.05.057
发表时间：
2019
期刊：
Proceedings of the Combustion Institute
影响因子：
3.4
作者：
Jennifer A. Giaccai;J. Houston Miller
通讯作者：
Jennifer A. Giaccai;J. Houston Miller

Application of chemical graph theory to PAH isomer enumeration and structure in laser desorption/ionization mass spectrometry studies of particulate from an ethylene diffusion flame

DOI：
10.1016/j.proci.2020.06.080
发表时间：
2020-09
期刊：
Vacuum
影响因子：
4
作者：
J. H. Miller;R. J. Golden;J. Giaccai;A. Kamischke;Andrew R. Korte;A. Vertes
通讯作者：
J. H. Miller;R. J. Golden;J. Giaccai;A. Kamischke;Andrew R. Korte;A. Vertes

Towards a taxonomy of topology for polynuclear aromatic hydrocarbons: linking electronic and molecular structure