25–29 Mar 2019
Campus Puerta de Toledo of the Universidad Carlos III, Madrid, Spain
Europe/Amsterdam timezone

CDSD-vib: A vibrationally specific database refitted from ro-vibrational specific data

25 Mar 2019, 16:00
30m
Campus Puerta de Toledo of the Universidad Carlos III, Madrid, Spain

Campus Puerta de Toledo of the Universidad Carlos III, Madrid, Spain

Puerta de Toledo Campus Ronda de Toledo, 1 28005 Madrid, Spain GPS coordinates: 40º24´30,24” N 3º42´39,59” O Metro: Puerta de Toledo Station (Line 5) Suburban train: Embajadores Station (Line C5) or Pirámides Station (Lines C1, C7 y C10)

Speaker

Mr Joao Vargas (Instituto de Plasmas e Fusão Nuclear - Instituto Superior Tecnico)

Description

Carbon dioxide radiative prediction is an important aspect in many scientific and industrial applications. Highly accurate databases such as HITRAN \cite{GORDON20173}, HITEMP \cite{ROTHMAN20102139} or CDSD \cite{TASHKUN2003165}\cite{TASHKUN20111403} are designed to reconstruct the spectrum in a given temperature accurately. However, in the context of atmospheric entry these databases have some known drawbacks. The accuracy of these databases depends on the temperature and is gradually degraded as this temperature exceeds the one for which they were designed for.For high temperature ($T>3000$ K) conditions, the \ce{CO2} spectrum is rich in features making the size of CDSD4000 computationally prohibitive for use in full spectrum calculations while HITRAN and HITEMP cannot be used at such high temperatures. Furthermore, these databases do not separate the rotational and vibrational degrees of freedom. In the context of atmospheric entry, in the wake flow of a spacecraft, the conditions of the gas are characterized by chemical and thermodynamical non-equilibrium. Full spectrum radiative calculations are carried out to determine the amount of protection necessary in the back shell of capsules. A radiative database that is smaller and allows for non-equilibrium calculations is desirable. In this work, we propose to reduce the size of the database to make it computationally efficient. This is achieved by refitting the ro-vibrational data in databases such as HITRAN or CDSD and reorganize it as vibrationally specific database. The great advantage of the newly generated database is that it can still be applied for ro-vibrational predictions by retaining the global accuracy of the spectrum while being more portable. It can also be used for coupling vibrational state-to-state kinetics calculations, a work that as been started recently~\cite{AMAL2016}.

In this work the Carbon Dioxide Spectral Databank 4000 \cite{TASHKUN20111403} (CDSD4000) was used as source data that is to be reorganized and fitted. The obtained database is denoted CDSDvib hereafter. This work is a follow up from previous work from the authors presented previously~\cite{VARGAS2018}. While sharing similarities with the previous work the approach for selecting, processing data and the quality of the achieved results are different. The previous worked aimed for a global algorithm for refitting and processing data, this work focuses only on one spectral range and aims at a bottom up approach by a selective method for processing data.\

Summary

A new CO2 IR radiation model based on CDSD + A solution to TC1A-EXOMARS-2016 and TC2A-ShockTube-MSL

Primary authors

Mr Joao Vargas (Instituto de Plasmas e Fusão Nuclear - Instituto Superior Tecnico) Mario Lino da Silva (Instituto de Plasmas e Fusão Nuclear - Instituto Superior Tecnico) Bruno Lopez (University of Illinois at Urbana-Champaign)

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