Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air

<p>Volatile chemical products (VCPs) and other non-combustion-related sources have become important for urban air quality, and bottom-up calculations report emissions of a variety of functionalized compounds that remain understudied and uncertain in emissions estimates. Using a new instrumenta...

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Main Authors: P. Khare, J. E. Krechmer, J. E. Machesky, T. Hass-Mitchell, C. Cao, J. Wang, F. Majluf, F. Lopez-Hilfiker, S. Malek, W. Wang, K. Seltzer, H. O. T. Pye, R. Commane, B. C. McDonald, R. Toledo-Crow, J. E. Mak, D. R. Gentner
Format: Article
Language:English
Published: Copernicus Publications 2022-11-01
Series:Atmospheric Chemistry and Physics
Online Access:https://acp.copernicus.org/articles/22/14377/2022/acp-22-14377-2022.pdf
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author P. Khare
P. Khare
J. E. Krechmer
J. E. Krechmer
J. E. Machesky
T. Hass-Mitchell
C. Cao
J. Wang
F. Majluf
F. Majluf
F. Lopez-Hilfiker
S. Malek
W. Wang
K. Seltzer
H. O. T. Pye
R. Commane
B. C. McDonald
R. Toledo-Crow
J. E. Mak
D. R. Gentner
D. R. Gentner
author_facet P. Khare
P. Khare
J. E. Krechmer
J. E. Krechmer
J. E. Machesky
T. Hass-Mitchell
C. Cao
J. Wang
F. Majluf
F. Majluf
F. Lopez-Hilfiker
S. Malek
W. Wang
K. Seltzer
H. O. T. Pye
R. Commane
B. C. McDonald
R. Toledo-Crow
J. E. Mak
D. R. Gentner
D. R. Gentner
author_sort P. Khare
collection DOAJ
description <p>Volatile chemical products (VCPs) and other non-combustion-related sources have become important for urban air quality, and bottom-up calculations report emissions of a variety of functionalized compounds that remain understudied and uncertain in emissions estimates. Using a new instrumental configuration, we present online measurements of oxygenated organic compounds in a US megacity over a 10 d wintertime sampling period, when biogenic sources and photochemistry were less active. Measurements were conducted at a rooftop observatory in upper Manhattan, New York City, USA using a Vocus chemical ionization time-of-flight mass spectrometer, with ammonium (NH<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M2" display="inline" overflow="scroll" dspmath="mathml"><mrow><msubsup><mi/><mn mathvariant="normal">4</mn><mo>+</mo></msubsup><mo>)</mo></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="12pt" height="15pt" class="svg-formula" dspmath="mathimg" md5hash="f310eaa25b6021a3131a6b16c503ac9d"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="acp-22-14377-2022-ie00002.svg" width="12pt" height="15pt" src="acp-22-14377-2022-ie00002.png"/></svg:svg></span></span> as the reagent ion operating at 1 Hz. The range of observations spanned volatile, intermediate-volatility, and semi-volatile organic compounds, with targeted analyses of <span class="inline-formula">∼150</span> ions, whose likely assignments included a range of functionalized compound classes such as glycols, glycol ethers, acetates, acids, alcohols, acrylates, esters, ethanolamines, and ketones that are found in various consumer, commercial, and industrial products. Their concentrations varied as a function of wind direction, with enhancements over the highly populated areas of the Bronx, Manhattan, and parts of New Jersey, and included abundant concentrations of acetates, acrylates, ethylene glycol, and other commonly used oxygenated compounds. The results provide top-down constraints on wintertime emissions of these oxygenated and functionalized compounds, with ratios to common anthropogenic marker compounds and comparisons of their relative abundances to two regionally resolved emissions inventories used in urban air quality models.</p>
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spelling doaj.art-2636b65cd43941c587492d813b6ee1932022-12-22T04:38:17ZengCopernicus PublicationsAtmospheric Chemistry and Physics1680-73161680-73242022-11-0122143771439910.5194/acp-22-14377-2022Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban airP. Khare0P. Khare1J. E. Krechmer2J. E. Krechmer3J. E. Machesky4T. Hass-Mitchell5C. Cao6J. Wang7F. Majluf8F. Majluf9F. Lopez-Hilfiker10S. Malek11W. Wang12K. Seltzer13H. O. T. Pye14R. Commane15B. C. McDonald16R. Toledo-Crow17J. E. Mak18D. R. Gentner19D. R. Gentner20Department of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USAnow at: Paul Scherrer Institute, 5232 Villigen, Aargau, SwitzerlandAerodyne Research Inc., Billerica, MA 02181, USAnow at: Bruker Daltonics Inc., 40 Manning Rd. Billerica, MA 01821, USADepartment of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USADepartment of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USASchool of Marine and Atmospheric Science, Stony Brook University, Stony Brook, NY 11794, USADepartment of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USAAerodyne Research Inc., Billerica, MA 02181, USAnow at: Franklin W. Olin College of Engineering, Needham, MA 02492, USATofwerk AG, 3600 Thun, SwitzerlandDepartment of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USADepartment of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USAOffice of Air and Radiation, US Environmental Protection Agency, Research Triangle Park, NC 27711, USAOffice of Research and Development, US Environmental Protection Agency, Research Triangle Park, NC 27711, USADepartment of Earth and Environmental Sciences, Lamont-Doherty Earth Observatory, Columbia University, New York, NY 10027, USAChemical Sciences Laboratory, National Oceanic and Atmospheric Administration, Boulder, CO 80305, USAAdvanced Science Research Center, City University of New York, New York, NY 10031, USASchool of Marine and Atmospheric Science, Stony Brook University, Stony Brook, NY 11794, USADepartment of Chemical and Environmental Engineering, Yale University, New Haven, CT 06511, USASchool of the Environment, Yale University, New Haven, CT 06511, USA<p>Volatile chemical products (VCPs) and other non-combustion-related sources have become important for urban air quality, and bottom-up calculations report emissions of a variety of functionalized compounds that remain understudied and uncertain in emissions estimates. Using a new instrumental configuration, we present online measurements of oxygenated organic compounds in a US megacity over a 10 d wintertime sampling period, when biogenic sources and photochemistry were less active. Measurements were conducted at a rooftop observatory in upper Manhattan, New York City, USA using a Vocus chemical ionization time-of-flight mass spectrometer, with ammonium (NH<span class="inline-formula"><math xmlns="http://www.w3.org/1998/Math/MathML" id="M2" display="inline" overflow="scroll" dspmath="mathml"><mrow><msubsup><mi/><mn mathvariant="normal">4</mn><mo>+</mo></msubsup><mo>)</mo></mrow></math><span><svg:svg xmlns:svg="http://www.w3.org/2000/svg" width="12pt" height="15pt" class="svg-formula" dspmath="mathimg" md5hash="f310eaa25b6021a3131a6b16c503ac9d"><svg:image xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="acp-22-14377-2022-ie00002.svg" width="12pt" height="15pt" src="acp-22-14377-2022-ie00002.png"/></svg:svg></span></span> as the reagent ion operating at 1 Hz. The range of observations spanned volatile, intermediate-volatility, and semi-volatile organic compounds, with targeted analyses of <span class="inline-formula">∼150</span> ions, whose likely assignments included a range of functionalized compound classes such as glycols, glycol ethers, acetates, acids, alcohols, acrylates, esters, ethanolamines, and ketones that are found in various consumer, commercial, and industrial products. Their concentrations varied as a function of wind direction, with enhancements over the highly populated areas of the Bronx, Manhattan, and parts of New Jersey, and included abundant concentrations of acetates, acrylates, ethylene glycol, and other commonly used oxygenated compounds. The results provide top-down constraints on wintertime emissions of these oxygenated and functionalized compounds, with ratios to common anthropogenic marker compounds and comparisons of their relative abundances to two regionally resolved emissions inventories used in urban air quality models.</p>https://acp.copernicus.org/articles/22/14377/2022/acp-22-14377-2022.pdf
spellingShingle P. Khare
P. Khare
J. E. Krechmer
J. E. Krechmer
J. E. Machesky
T. Hass-Mitchell
C. Cao
J. Wang
F. Majluf
F. Majluf
F. Lopez-Hilfiker
S. Malek
W. Wang
K. Seltzer
H. O. T. Pye
R. Commane
B. C. McDonald
R. Toledo-Crow
J. E. Mak
D. R. Gentner
D. R. Gentner
Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air
Atmospheric Chemistry and Physics
title Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air
title_full Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air
title_fullStr Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air
title_full_unstemmed Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air
title_short Ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas-phase organic compounds in urban air
title_sort ammonium adduct chemical ionization to investigate anthropogenic oxygenated gas phase organic compounds in urban air
url https://acp.copernicus.org/articles/22/14377/2022/acp-22-14377-2022.pdf
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