Identification of Short and Long‐Lived Atmospheric Trace Gases From IASI Space Observations

Longueville, Hélène De; Clarisse, Lieven; Franco, Bruno; Bauduin, Sophie; Clerbaux, Cathy; Camy‐Peyret, C.; Coheur, Pierre‐François

doi:10.1029/2020gl091742

Cited by 14 publications

(8 citation statements)

References 52 publications

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“…105 HONO can be found and plays an important role in soil, atmosphere, and space. 106,107 It is also of particular interest to theoretical chemistry, and hence, a large number of theoretical studies have been carried out. [108][109][110][111][112][113][114][115][116] Its PES and vibrational spectrum are well described in the literature.…”

Section: B Multi-well Potential: Cis-and Trans -Hono-nitrous Acidmentioning

confidence: 99%

Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy

Aerts

Schäfer

Brown

2022

The Journal of Chemical Physics

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A semi-automatic sampling and fitting procedure for generating sum-of-product (Born-Oppenheimer) potential energy surfaces based on a high-dimensional model representation is presented. The adaptive sampling procedure and subsequent fitting relies on energies only and can be used for re-fitting existing analytic potential energy surfaces in sum-of-product form or for direct fits from ab initio computa- tions. The method is tested by fitting ground electronic state potential energy surfaces for small to medium sized semi-rigid molecules, i.e., HFCO, HONO, and HCOOH, based upon ab initio computations at the CCSD(T)-F12/cc-pVTZ-F12 or MP2/aug-cc-pVTZ levels of theory. Vibrational eigenstates are computed using block improved relaxation in the Heidelberg MCTDH package and compared to available experimental and theoretical data. The new potential energy surfaces are compared to the best ones currently available for these molecules, in terms of accuracy, including of resulting vibrational states, required numbers of sampling points, and number of fitting parameters. The present procedure leads to compact expansions and scales well with the number of dimensions for simple potentials such as single or double wells.

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Section: B Multi-well Potential: Cis-and Trans -Hono-nitrous Acidmentioning

confidence: 99%

Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy

Aerts

Schäfer

Brown

2022

The Journal of Chemical Physics

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“…Recently, a transformation of the spectral channels, referred to as whitening, has been applied for the first time to the IASI spectra and allowed the identification of several trace gases that have never been detected before with nadir satellite sounders 48 . The whitening is similar to the HRI concept in that it removes most of the climatological background of the analyzed spectra (Eq.…”

Section: Methodsmentioning

confidence: 99%

“…3 ) is a spectrum in which all the spectral residuals that differ from the climatological background are exposed. Spectral anomalies can be assigned to specific trace gases, by comparing with the whitened Jacobian of candidate absorbers 48 , which is defined as: …”

Section: Methodsmentioning

confidence: 99%

Ethylene industrial emitters seen from space

et al. 2022

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Volatile organic compounds are emitted abundantly from a variety of natural and anthropogenic sources. However, in excess, they can severely degrade air quality. Their fluxes are currently poorly represented in inventories due to a lack of constraints from global measurements. Here, we track from space over 300 worldwide hotspots of ethylene, the most abundant industrially produced organic compound. We identify specific emitters associated with petrochemical clusters, steel plants, coal-related industries, and megacities. Satellite-derived fluxes reveal that the ethylene emissions of the industrial sources are underestimated or missing in the state-of-the-art Emission Database for Global Atmospheric Research (EDGAR) inventory. This work exposes global emission point-sources of a short-lived carbonated gas, complementing the ongoing large-scale efforts on the monitoring of inorganic pollutants.

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“…Thanks to the continuous coverage across the thermal infrared spectrum offered by IASI (645-2760 cm −1 ) combined with a fairly high spectral resolution (0.5 cm −1 , apodized) and a low radiometric noise, the detection of a large suite of atmospheric trace gases has been made possible [65]. For an increasing number of them, (quasi-)global distributions of their atmospheric abundance are being derived from IASI spectra using fast retrieval methods.…”

Section: Appendix Cmentioning

confidence: 99%

Atmospheric Impacts of COVID-19 on NOx and VOC Levels over China Based on TROPOMI and IASI Satellite Data and Modeling

et al. 2021

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China was the first country to undergo large-scale lockdowns in response to the pandemic in early 2020 and a progressive return to normalization after April 2020. Spaceborne observations of atmospheric nitrogen dioxide (NO2) and oxygenated volatile organic compounds (OVOCs), including formaldehyde (HCHO), glyoxal (CHOCHO), and peroxyacetyl nitrate (PAN), reveal important changes over China in 2020, relative to 2019, in response to the pandemic-induced shutdown and the subsequent drop in pollutant emissions. In February, at the peak of the shutdown, the observed declines in OVOC levels were generally weaker (less than 20%) compared to the observed NO2 reductions (−40%). In May 2020, the observations reveal moderate decreases in NO2 (−15%) and PAN (−21%), small changes in CHOCHO (−3%) and HCHO (6%). Model simulations using the regional model MAGRITTEv1.1 with anthropogenic emissions accounting for the reductions due to the pandemic explain to a large extent the observed changes in lockdown-affected regions. The model results suggest that meteorological variability accounts for a minor but non-negligible part (~−5%) of the observed changes for NO2, whereas it is negligible for CHOCHO but plays a more substantial role for HCHO and PAN, especially in May. The interannual variability of biogenic and biomass burning emissions also contribute to the observed variations, explaining e.g., the important column increases of NO2 and OVOCs in February 2020, relative to 2019. These changes are well captured by the model simulations.

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Identification of Short and Long‐Lived Atmospheric Trace Gases From IASI Space Observations

Cited by 14 publications

References 52 publications

Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy

Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy

Ethylene industrial emitters seen from space

Atmospheric Impacts of COVID-19 on NOx and VOC Levels over China Based on TROPOMI and IASI Satellite Data and Modeling

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