High accuracy line intensities for carbon dioxide

Lead Research Organisation: University College London
Department Name: Physics and Astronomy

Abstract

All CO2 remote sensing activity, from both the ground and space, relies on monitoring how CO2 absorbs light. All this monitoring is therefore heavily dependent on understanding the absorption properties of the CO2 molecule which is usually obtained by measurements performed in the laboratory. In particular the accurate knowledge of the strength of individual absorption lines is crucial to determining how much CO2 is present and allowing the atmospheric data to be interpreted. Without high accuracy values for line intensities, reliable CO2 retrievals are simply not possible. Particularly with their emphasis on variation of CO2 concentrations with time, current missions and proposed missions require CO2 line intensities to be determined to significantly better than 1% accuracy if they are to fulfill their stated goals: intensities accurate to better than 0.5% are really required. Current line intensities measured in the laboratory simply do not gives this level of accuracy: most are accurate to about 5% with a few high quality measurements being good to 1 - 3%. Hence current cO2 retrievals values are limited by the available laboratory data. The aim of this proposal is to provide an accurate theoretical solution to the problem of CO2 line intensities based on the application of high accuracy, first principles quantum mechanical calculations for the intensities and experimental data for the line positions. The resulting new lists of CO2 transition intensities will be made widely available and, in particular, used to inform atmospheric databases which are used for the majority of atmospheric applications of molecular spectroscopy.

Planned Impact

This is potentially a high impact project. The major impact will be for the atmospheric remote sensing community as the project will allow them to significantly improve CO2 retrievals with the consequence improvement in CO2 monitoring, modeling and. hopefully, control. The improvement in CO2 line intensities proposed here is essential to properly exploit actual or planned missions and programmes aimed explicitly at recording CO2 concentrations in the Earth's atmosphere.
Accurate CO2 data is important for a whole variety of other applications including planetary atmospheres (Mars, Venus, Exoplanets) and elsewhere in the Universe. It will also contribute to projects on space craft re-entry and other applications of CO2 data which will certainly appear during the course of the project.
The line intensities (and associated line list) generated in this project will be distributed widely and vigorously to maximise its potential impact. It will be made available via (atmospheric) databases HITRAN and GEISA; via BADC and via
web portals such as the Virtual Atomic and Molecular Data Centre (VAMDC), and my own exomol.com website.

My work on molecular spectroscopy regularly gets extensive national and international press coverage. I use topics from this work (including ones relating to atmospheric physics) as the basis of popular talks which I give to schools and other non-specialist groups.

Publications

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Gordon I (2017) The HITRAN2016 molecular spectroscopic database in Journal of Quantitative Spectroscopy and Radiative Transfer

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Hill C (2013) A new relational database structure and online interface for the HITRAN database in Journal of Quantitative Spectroscopy and Radiative Transfer

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Kyuberis A (2017) Room temperature line lists for deuterated water in Journal of Quantitative Spectroscopy and Radiative Transfer

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Odintsova TA (2017) Highly accurate intensity factors of pure CO2 lines near 2 µm. in The Journal of chemical physics

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Rothman L (2013) The HITRAN2012 molecular spectroscopic database in Journal of Quantitative Spectroscopy and Radiative Transfer

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Tennyson J (2016) The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres in Journal of Molecular Spectroscopy

 
Description We have developed a very accurate theoretical model for how much light one molecule of CO2 absorbs. The results of this are now being adopted by various databases and remote sensing experiments.
Exploitation Route We will contribute our data to databases such as HITRAN and GEISA
Sectors Environment

 
Description Very accurate quantum mechanical calculations have been performed giving much better data on how carbon dioxide absorbs light. Our data have been adopted by major players in atmospheric analysis of CO2 such as OCO-2 and have been included in their entirety in the recent HITRAN upgrade
First Year Of Impact 2014
Sector Environment,Other
 
Title Databases of molecular line lists 
Description Our molecular line lists have been collected as data. These are distributed directly from our own website and via other data centres (Strasbourg, BADC) and via other databases: HITRAN, GEISA, KIDA, BASECOL, HITEMP etc 
Type Of Material Database/Collection of data 
Provided To Others? Yes  
Impact HITRAN has 200,000 users. Our data is now central to this. Other data is having an important influence in other key areas eg Exoplanet research. 
 
Description HITRAN database 
Organisation Harvard University
Department Harvard-Smithsonian Center for Astrophysics
Country United States 
Sector Academic/University 
PI Contribution The HITRAN database is run from the Harvard-Smithson Center for Astrophysics, USA. We are major contributors to the database.
Collaborator Contribution They evaluate data and include it in the database.
Impact The HITRAN database is a common output plus associated publication every 4 years.
 
Description schools talks 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach Regional
Primary Audience Schools
Results and Impact I have regularly been invited back to schools who wish to increase A-level participation in STEM subjects

have regularly been invited back to schools who wish to increase A-level participation in STEM subjects
Year(s) Of Engagement Activity Pre-2006,2006,2007,2008,2009,2010,2011,2012,2013,2014