Articles | Volume 15, issue 8
https://doi.org/10.5194/amt-15-2591-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-15-2591-2022
© Author(s) 2022. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
29 Apr 2022
Research article |
| 29 Apr 2022
| 29 Apr 2022
Development and application of a supervised pattern recognition algorithm for identification of fuel-specific emissions profiles
Christos Stamatis
Department of Chemical and Environmental Engineering and College of Engineering – Center for Environmental Research and Technology (CE-CERT), University of California, Riverside, Riverside, CA, USA
Kelley Claire Barsanti
CORRESPONDING AUTHOR
Department of Chemical and Environmental Engineering and College of Engineering – Center for Environmental Research and Technology (CE-CERT), University of California, Riverside, Riverside, CA, USA
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Yutong Liang, Christos Stamatis, Edward C. Fortner, Rebecca A. Wernis, Paul Van Rooy, Francesca Majluf, Tara I. Yacovitch, Conner Daube, Scott C. Herndon, Nathan M. Kreisberg, Kelley C. Barsanti, and Allen H. Goldstein
Atmos. Chem. Phys., 22, 9877–9893, https://doi.org/10.5194/acp-22-9877-2022, https://doi.org/10.5194/acp-22-9877-2022, 2022
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This article reports the measurements of organic compounds emitted from western US wildfires. We identified and quantified 240 particle-phase compounds and 72 gas-phase compounds emitted in wildfire and related the emissions to the modified combustion efficiency. Higher emissions of diterpenoids and monoterpenes were observed, likely due to distillation from unburned heated vegetation. Our results can benefit future source apportionment and modeling studies as well as exposure assessments.
William P. L. Carter, Jia Jiang, John J. Orlando, and Kelley C. Barsanti
EGUsphere, https://doi.org/10.5194/egusphere-2023-2343, https://doi.org/10.5194/egusphere-2023-2343, 2023
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SAPRC chemical mechanisms have been widely used to represent the atmospheric chemistry of gas-phase compounds for air quality modeling. These mechanisms have been developed using the SAPRC mechanism generation system (MechGen). MechGen uses data or structure activity relationships to estimate rate constants and product yields. This manuscript represents the first complete description of MechGen and includes discussion of uncertainty where additional measurements or estimates are needed.
Christine Wiedinmyer, Yosuke Kimura, Elena C. McDonald-Buller, Louisa K. Emmons, Rebecca R. Buchholz, Wenfu Tang, Keenan Seto, Maxwell B. Joseph, Kelley C. Barsanti, Annmarie G. Carlton, and Robert Yokelson
Geosci. Model Dev., 16, 3873–3891, https://doi.org/10.5194/gmd-16-3873-2023, https://doi.org/10.5194/gmd-16-3873-2023, 2023
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The Fire INventory from NCAR (FINN) provides daily global estimates of emissions from open fires based on satellite detections of hot spots. This version has been updated to apply MODIS and VIIRS satellite fire detection and better represents both large and small fires. FINNv2.5 generates more emissions than FINNv1 and is in general agreement with other fire emissions inventories. The new estimates are consistent with satellite observations, but uncertainties remain regionally and by pollutant.
Yutong Liang, Christos Stamatis, Edward C. Fortner, Rebecca A. Wernis, Paul Van Rooy, Francesca Majluf, Tara I. Yacovitch, Conner Daube, Scott C. Herndon, Nathan M. Kreisberg, Kelley C. Barsanti, and Allen H. Goldstein
Atmos. Chem. Phys., 22, 9877–9893, https://doi.org/10.5194/acp-22-9877-2022, https://doi.org/10.5194/acp-22-9877-2022, 2022
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This article reports the measurements of organic compounds emitted from western US wildfires. We identified and quantified 240 particle-phase compounds and 72 gas-phase compounds emitted in wildfire and related the emissions to the modified combustion efficiency. Higher emissions of diterpenoids and monoterpenes were observed, likely due to distillation from unburned heated vegetation. Our results can benefit future source apportionment and modeling studies as well as exposure assessments.
Qi Li, Jia Jiang, Isaac K. Afreh, Kelley C. Barsanti, and David R. Cocker III
Atmos. Chem. Phys., 22, 3131–3147, https://doi.org/10.5194/acp-22-3131-2022, https://doi.org/10.5194/acp-22-3131-2022, 2022
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Chamber-derived secondary organic aerosol (SOA) yields from camphene are reported for the first time. The role of peroxy radicals (RO2) was investigated using chemically detailed box models. We observed higher SOA yields (up to 64 %) in the experiments with added NOx than without due to the formation of highly oxygenated organic molecules (HOMs) when
NOx is present. This work can improve the representation of camphene in air quality models and provide insights into other monoterpene studies.
Zachary C. J. Decker, Michael A. Robinson, Kelley C. Barsanti, Ilann Bourgeois, Matthew M. Coggon, Joshua P. DiGangi, Glenn S. Diskin, Frank M. Flocke, Alessandro Franchin, Carley D. Fredrickson, Georgios I. Gkatzelis, Samuel R. Hall, Hannah Halliday, Christopher D. Holmes, L. Gregory Huey, Young Ro Lee, Jakob Lindaas, Ann M. Middlebrook, Denise D. Montzka, Richard Moore, J. Andrew Neuman, John B. Nowak, Brett B. Palm, Jeff Peischl, Felix Piel, Pamela S. Rickly, Andrew W. Rollins, Thomas B. Ryerson, Rebecca H. Schwantes, Kanako Sekimoto, Lee Thornhill, Joel A. Thornton, Geoffrey S. Tyndall, Kirk Ullmann, Paul Van Rooy, Patrick R. Veres, Carsten Warneke, Rebecca A. Washenfelder, Andrew J. Weinheimer, Elizabeth Wiggins, Edward Winstead, Armin Wisthaler, Caroline Womack, and Steven S. Brown
Atmos. Chem. Phys., 21, 16293–16317, https://doi.org/10.5194/acp-21-16293-2021, https://doi.org/10.5194/acp-21-16293-2021, 2021
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To understand air quality impacts from wildfires, we need an accurate picture of how wildfire smoke changes chemically both day and night as sunlight changes the chemistry of smoke. We present a chemical analysis of wildfire smoke as it changes from midday through the night. We use aircraft observations from the FIREX-AQ field campaign with a chemical box model. We find that even under sunlight typical
nighttimechemistry thrives and controls the fate of key smoke plume chemical processes.
Sabrina Chee, Kelley Barsanti, James N. Smith, and Nanna Myllys
Atmos. Chem. Phys., 21, 11637–11654, https://doi.org/10.5194/acp-21-11637-2021, https://doi.org/10.5194/acp-21-11637-2021, 2021
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We explored molecular properties affecting atmospheric particle formation efficiency and derived a parameterization between particle formation rate and heterodimer concentration, which showed good agreement to previously reported experimental data. Considering the simplicity of calculating heterodimer concentration, this approach has potential to improve estimates of global cloud condensation nuclei in models that are limited by the computational expense of calculating particle formation rate.
Isaac Kwadjo Afreh, Bernard Aumont, Marie Camredon, and Kelley Claire Barsanti
Atmos. Chem. Phys., 21, 11467–11487, https://doi.org/10.5194/acp-21-11467-2021, https://doi.org/10.5194/acp-21-11467-2021, 2021
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This is the first mechanistic modeling study of secondary organic aerosol (SOA) from the understudied monoterpene, camphene. The semi-explicit chemical model GECKO-A predicted camphene SOA yields that were ~2 times α-pinene. Using 50/50 α-pinene + limonene as a surrogate for camphene increased predicted SOA mass from biomass burning fuels by up to ~100 %. The accurate representation of camphene in air quality models can improve predictions of SOA when camphene is a dominant monoterpene.
Dagny A. Ullmann, Mallory L. Hinks, Adrian M. Maclean, Christopher L. Butenhoff, James W. Grayson, Kelley Barsanti, Jose L. Jimenez, Sergey A. Nizkorodov, Saeid Kamal, and Allan K. Bertram
Atmos. Chem. Phys., 19, 1491–1503, https://doi.org/10.5194/acp-19-1491-2019, https://doi.org/10.5194/acp-19-1491-2019, 2019
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We measured the viscosity and diffusion of organic molecules in secondary organic aerosol (SOA) generated from the ozonolysis of limonene. The results suggest that the mixing times of large organics in the SOA studied are short (< 1 h) for conditions found in the planetary boundary layer. The results also show that the Stokes–Einstein equation gives accurate predictions of diffusion coefficients of large organics within the studied SOA up to a viscosity of 102 to 104 Pa s.
Coty N. Jen, Lindsay E. Hatch, Vanessa Selimovic, Robert J. Yokelson, Robert Weber, Arantza E. Fernandez, Nathan M. Kreisberg, Kelley C. Barsanti, and Allen H. Goldstein
Atmos. Chem. Phys., 19, 1013–1026, https://doi.org/10.5194/acp-19-1013-2019, https://doi.org/10.5194/acp-19-1013-2019, 2019
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Wildfires in the western US are occurring more frequently and burning larger land areas. Smoke from these fires will play a greater role in regional air quality and atmospheric chemistry than in the past. To help fire and climate modelers and atmospheric experimentalists better understand how smoke impacts the environment, we have separated, identified, classified, and quantified the thousands of organic compounds found in smoke and related their amounts emitted to fire conditions.
Lindsay E. Hatch, Albert Rivas-Ubach, Coty N. Jen, Mary Lipton, Allen H. Goldstein, and Kelley C. Barsanti
Atmos. Chem. Phys., 18, 17801–17817, https://doi.org/10.5194/acp-18-17801-2018, https://doi.org/10.5194/acp-18-17801-2018, 2018
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We demonstrate the use of solid-phase extraction (SPE) disks for the untargeted analysis of gas-phase intermediate volatility and semi-volatile organic compounds emitted from biomass burning. SPE and Teflon filter samples collected from laboratory fires were analyzed by two-dimensional gas chromatography, with distinct differences in the observed chromatographic profiles as a function of
fuel type. Fuel-dependent emissions and volatility differences among benzenediol isomers were captured.
Adrian M. Maclean, Christopher L. Butenhoff, James W. Grayson, Kelley Barsanti, Jose L. Jimenez, and Allan K. Bertram
Atmos. Chem. Phys., 17, 13037–13048, https://doi.org/10.5194/acp-17-13037-2017, https://doi.org/10.5194/acp-17-13037-2017, 2017
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Using laboratory data, meteorological fields and a chemical transport model, we investigated how often mixing times are < 1 h within SOA in the planetary boundary layer (PBL). Based on viscosity data for alpha-pinene SOA generated using mass concentrations of ~1000 µg m −3, mixing times in biogenic SOA are < 1h most of the time.
Qijing Bian, Shantanu H. Jathar, John K. Kodros, Kelley C. Barsanti, Lindsay E. Hatch, Andrew A. May, Sonia M. Kreidenweis, and Jeffrey R. Pierce
Atmos. Chem. Phys., 17, 5459–5475, https://doi.org/10.5194/acp-17-5459-2017, https://doi.org/10.5194/acp-17-5459-2017, 2017
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In this paper, we perform simulations of the evolution of biomass-burning organic aerosol in laboratory smog-chamber experiments and ambient plumes. We find that in smog-chamber experiments, vapor wall losses lead to a large reduction in the apparent secondary organic aerosol formation. In ambient plumes, fire size and meteorology regulate the plume dilution rate, primary organic aerosol evaporation rate, and secondary organic aerosol formation rate.
Lindsay E. Hatch, Robert J. Yokelson, Chelsea E. Stockwell, Patrick R. Veres, Isobel J. Simpson, Donald R. Blake, John J. Orlando, and Kelley C. Barsanti
Atmos. Chem. Phys., 17, 1471–1489, https://doi.org/10.5194/acp-17-1471-2017, https://doi.org/10.5194/acp-17-1471-2017, 2017
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The most comprehensive database of gaseous biomass burning emissions to date was compiled. Four complementary instruments were deployed together during laboratory fires. The results generally compared within experimental uncertainty and highlighted that a range of measurement approaches are required for adequate characterization of smoke composition. Observed compounds were binned based on volatility, and priority recommendations were made to improve secondary organic aerosol predictions.
Anna L. Hodshire, Michael J. Lawler, Jun Zhao, John Ortega, Coty Jen, Taina Yli-Juuti, Jared F. Brewer, Jack K. Kodros, Kelley C. Barsanti, Dave R. Hanson, Peter H. McMurry, James N. Smith, and Jeffery R. Pierce
Atmos. Chem. Phys., 16, 9321–9348, https://doi.org/10.5194/acp-16-9321-2016, https://doi.org/10.5194/acp-16-9321-2016, 2016
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Processes that control the growth of newly formed particles are not well understood and limit predictions of aerosol climate impacts. We combine state-of-the-art measurements at a central-US site with a particle-growth model to investigate the species and processes contributing to growth. Observed growth was dominated by organics, sulfate salts, or a mixture of these two. The model qualitatively captures the variability between different days.
T. Yli-Juuti, K. Barsanti, L. Hildebrandt Ruiz, A.-J. Kieloaho, U. Makkonen, T. Petäjä, T. Ruuskanen, M. Kulmala, and I. Riipinen
Atmos. Chem. Phys., 13, 12507–12524, https://doi.org/10.5194/acp-13-12507-2013, https://doi.org/10.5194/acp-13-12507-2013, 2013
K. C. Barsanti, A. G. Carlton, and S. H. Chung
Atmos. Chem. Phys., 13, 12073–12088, https://doi.org/10.5194/acp-13-12073-2013, https://doi.org/10.5194/acp-13-12073-2013, 2013
M. Xie, K. C. Barsanti, M. P. Hannigan, S. J. Dutton, and S. Vedal
Atmos. Chem. Phys., 13, 7381–7393, https://doi.org/10.5194/acp-13-7381-2013, https://doi.org/10.5194/acp-13-7381-2013, 2013
A. Mahmud and K. Barsanti
Geosci. Model Dev., 6, 961–980, https://doi.org/10.5194/gmd-6-961-2013, https://doi.org/10.5194/gmd-6-961-2013, 2013
Related subject area
Subject: Gases | Technique: Laboratory Measurement | Topic: Data Processing and Information Retrieval
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Rongrong Wu, Sören R. Zorn, Sungah Kang, Astrid Kiendler-Scharr, Andreas Wahner, and Thomas F. Mentel
Atmos. Meas. Tech., 17, 1811–1835, https://doi.org/10.5194/amt-17-1811-2024, https://doi.org/10.5194/amt-17-1811-2024, 2024
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Recent advances in high-resolution time-of-flight chemical ionization mass spectrometry (CIMS) enable the detection of highly oxygenated organic molecules, which efficiently contribute to secondary organic aerosol. Here we present an application of fuzzy c-means (FCM) clustering to deconvolve CIMS data. FCM not only reduces the complexity of mass spectrometric data but also the chemical and kinetic information retrieved by clustering gives insights into the chemical processes involved.
Longkun He, Wenli Liu, Yatai Li, Jixuan Wang, Mikinori Kuwata, and Yingjun Liu
Atmos. Meas. Tech., 17, 755–764, https://doi.org/10.5194/amt-17-755-2024, https://doi.org/10.5194/amt-17-755-2024, 2024
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We experimentally investigated vapor wall loss of n-alkanes in a Teflon chamber across a wide temperature range. Increased wall loss was observed at lower temperatures. Further analysis suggests that lower temperatures enhance partitioning of n-alkanes to the surface layer of a Teflon wall but slow their diffusion into the inner layer. The results are important for quantitative analysis of chamber experiments conducted at low temperatures, simulating wintertime or upper-tropospheric conditions.
Song Gao, Yong Yang, Xiao Tong, Linyuan Zhang, Yusen Duan, Guigang Tang, Qiang Wang, Changqing Lin, Qingyan Fu, Lipeng Liu, and Lingning Meng
Atmos. Meas. Tech., 16, 5709–5723, https://doi.org/10.5194/amt-16-5709-2023, https://doi.org/10.5194/amt-16-5709-2023, 2023
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We optimized and conducted an experimental program for the real-time monitoring of non-methane hydrocarbon instruments using the direct method. Changing the enrichment and specially designed columns further improved the test effect. The results correct the measurement errors that have prevailed for many years and can lay a foundation for the evaluation of volatile organic compounds in the regional ambient air and provide direction for the measurement of low-concentration ambient air pollutants.
Rodrigo Andres Rivera Martinez, Diego Santaren, Olivier Laurent, Gregoire Broquet, Ford Cropley, Cécile Mallet, Michel Ramonet, Adil Shah, Leonard Rivier, Caroline Bouchet, Catherine Juery, Olivier Duclaux, and Philippe Ciais
Atmos. Meas. Tech., 16, 2209–2235, https://doi.org/10.5194/amt-16-2209-2023, https://doi.org/10.5194/amt-16-2209-2023, 2023
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A network of low-cost sensors is a good alternative to improve the detection of fugitive CH4 emissions. We present the results of four tests conducted with two types of Figaro sensors that were assembled on four chambers in a laboratory experiment: a comparison of five models to reconstruct the CH4 signal, a strategy to reduce the training set size, a detection of age effects in the sensors and a test of the capability to transfer a model between chambers for the same type of sensor.
Qing-Ying Yang, Eamon K. Conway, Hui Liang, Iouli E. Gordon, Yan Tan, and Shui-Ming Hu
Atmos. Meas. Tech., 15, 4463–4472, https://doi.org/10.5194/amt-15-4463-2022, https://doi.org/10.5194/amt-15-4463-2022, 2022
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Water vapor absorption in the near-UV region is essential to describe the energy budget of Earth; however, there is little spectroscopic information available. And accurate near-UV water absorption is also required in both ground-based observations and satellite missions for trace gas species. Here, we provide the high-resolution spectra of water vapor around 415 nm measured with cavity ring-down spectroscopy. These absorption lines have never been experimentally verified before.
Runlong Cai, Yihao Li, Yohann Clément, Dandan Li, Clément Dubois, Marlène Fabre, Laurence Besson, Sebastien Perrier, Christian George, Mikael Ehn, Cheng Huang, Ping Yi, Yingge Ma, and Matthieu Riva
Atmos. Meas. Tech., 14, 2377–2387, https://doi.org/10.5194/amt-14-2377-2021, https://doi.org/10.5194/amt-14-2377-2021, 2021
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Orbitool is an open-source software tool, mainly coded in Python, with a graphical user interface (GUI), specifically developed to facilitate the analysis of online Orbitrap mass spectrometric data. It is notably optimized for long-term atmospheric measurements and laboratory studies.
Catherine A. Banach, Ashley M. Bradley, Russell G. Tonkyn, Olivia N. Williams, Joey Chong, David R. Weise, Tanya L. Myers, and Timothy J. Johnson
Atmos. Meas. Tech., 14, 2359–2376, https://doi.org/10.5194/amt-14-2359-2021, https://doi.org/10.5194/amt-14-2359-2021, 2021
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We have developed a novel method to identify and characterize the gases emitted in biomass burning fires in a time-resolved fashion. Using time-resolved infrared spectroscopy combined with time-resolved thermal imaging in a wind tunnel, we were able to capture the gas-phase dynamics of the burning of plants native to the southeastern United States.
Jing Tang, Bincheng Li, and Jing Wang
Atmos. Meas. Tech., 12, 2851–2861, https://doi.org/10.5194/amt-12-2851-2019, https://doi.org/10.5194/amt-12-2851-2019, 2019
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A high-sensitivity CH4 and N2O sensor based on mid-IR (7.6 µm) cavity ring-down spectroscopy was developed. The effect of temperature fluctuation on measurement sensitivity was analyzed and corrected, and detection limits of 5 pptv for CH4 and 9 pptv for N2O were experimentally achieved. Separate and continuous measurements of CH4 and N2O concentrations of indoor and outdoor air at different locations showed the spatial and temporal concentration variations of CH4 and N2O in air.
Mohammed S. Alam, Soheil Zeraati-Rezaei, Zhirong Liang, Christopher Stark, Hongming Xu, A. Rob MacKenzie, and Roy M. Harrison
Atmos. Meas. Tech., 11, 3047–3058, https://doi.org/10.5194/amt-11-3047-2018, https://doi.org/10.5194/amt-11-3047-2018, 2018
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Diesel fuel, lubricating oil and diesel exhaust emissions all contain a very complex mixture of chemical compounds with diverse molecular structures. The GC × GC-ToF-MS analytical method is a very powerful way of separating and identifying those compounds. This paper describes the allocation of compounds into groups with similar molecular structures and chemical properties, which facilitates the intercomparison of very complex mixtures such as are found in diesel fuel, oil and emissions.
Marius Duncianu, Marc David, Sakthivel Kartigueyane, Manuela Cirtog, Jean-François Doussin, and Benedicte Picquet-Varrault
Atmos. Meas. Tech., 10, 1445–1463, https://doi.org/10.5194/amt-10-1445-2017, https://doi.org/10.5194/amt-10-1445-2017, 2017
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A commercial PTR-ToF-MS has been optimized in order to allow the measurement of individual organic nitrates in the atmosphere. This has been accomplished by shifting the distribution between different ionizing analytes. The proposed approach has been proved to be appropriate for the online detection of individual alkyl nitrates and functionalized nitrates.
Mark Weber, Victor Gorshelev, and Anna Serdyuchenko
Atmos. Meas. Tech., 9, 4459–4470, https://doi.org/10.5194/amt-9-4459-2016, https://doi.org/10.5194/amt-9-4459-2016, 2016
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Ozone absorption cross sections measured in the laboratory using spectroscopic means can be a major source of uncertainty in atmospheric ozone retrievals. In this paper we assess the overall uncertainty in three published UV ozone cross-section datasets that are most popular in the remote sensing community. The overall uncertainties were estimated using Monte Carlo simulations. They are important for traceability of atmospheric ozone measuring instruments to common metrological standards.
Jeremy J. Harrison
Atmos. Meas. Tech., 9, 2593–2601, https://doi.org/10.5194/amt-9-2593-2016, https://doi.org/10.5194/amt-9-2593-2016, 2016
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Using infrared sounders on satellite platforms to monitor concentrations of atmospheric HCFC-22, a stratospheric-ozone-depleting molecule which is still increasing in the atmosphere, crucially requires accurate laboratory spectroscopic data. This manuscript describes a new high-resolution infrared absorption cross-section data set for remote-sensing purposes; this improves upon the one currently available in the HITRAN and GEISA databases.
V. Gorshelev, A. Serdyuchenko, M. Weber, W. Chehade, and J. P. Burrows
Atmos. Meas. Tech., 7, 609–624, https://doi.org/10.5194/amt-7-609-2014, https://doi.org/10.5194/amt-7-609-2014, 2014
A. Serdyuchenko, V. Gorshelev, M. Weber, W. Chehade, and J. P. Burrows
Atmos. Meas. Tech., 7, 625–636, https://doi.org/10.5194/amt-7-625-2014, https://doi.org/10.5194/amt-7-625-2014, 2014
L. Huang, A. Chivulescu, D. Ernst, W. Zhang, A.-L. Norman, and Y.-S. Lee
Atmos. Meas. Tech., 6, 1685–1705, https://doi.org/10.5194/amt-6-1685-2013, https://doi.org/10.5194/amt-6-1685-2013, 2013
J. Schmitt, B. Seth, M. Bock, C. van der Veen, L. Möller, C. J. Sapart, M. Prokopiou, T. Sowers, T. Röckmann, and H. Fischer
Atmos. Meas. Tech., 6, 1425–1445, https://doi.org/10.5194/amt-6-1425-2013, https://doi.org/10.5194/amt-6-1425-2013, 2013
P. Barmet, J. Dommen, P. F. DeCarlo, T. Tritscher, A. P. Praplan, S. M. Platt, A. S. H. Prévôt, N. M. Donahue, and U. Baltensperger
Atmos. Meas. Tech., 5, 647–656, https://doi.org/10.5194/amt-5-647-2012, https://doi.org/10.5194/amt-5-647-2012, 2012
V. Gkinis, T. J. Popp, T. Blunier, M. Bigler, S. Schüpbach, E. Kettner, and S. J. Johnsen
Atmos. Meas. Tech., 4, 2531–2542, https://doi.org/10.5194/amt-4-2531-2011, https://doi.org/10.5194/amt-4-2531-2011, 2011
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Short summary
Building on the identification of hundreds of gas-phase chemicals in smoke samples from laboratory and field studies, an algorithm was developed that successfully identified chemical patterns that were consistent among types of trees and unique between types of trees that are common fuels in western coniferous forests. The algorithm is a promising approach for selecting chemical speciation profiles for air quality modeling using a highly reduced suite of measured compounds.
Building on the identification of hundreds of gas-phase chemicals in smoke samples from...
