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Collisional Energy Exchange in CO\(_2\)–N\(_2\) Gaseous Mixtures

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Computational Science and Its Applications – ICCSA 2016 (ICCSA 2016)

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Abstract

The calculation of series of vibrational state-specific collision cross sections and rate coefficients over extended energy and temperature ranges is required to set up accurate kinetic models of gaseous mixtures under nonequilibium conditions, such as those encountered in hypersonic flows. Processes involving carbon oxides (particularly CO\(_2\)) and N\(_2\) have to be included of models designed to simulate and interpret important aspects of the Earth and planetary atmospheres, also in connection to spacecraft’s entry problems, where hypersonics flows are involved. Here we summarize a theoretical approach to the calculation of energy transfer cross section and rates for CO\(_2\)–N\(_2\) mixtures, based on classical trajectory simulations of the collision dynamics and on a bond-bond semi-empirical description of the intermolecular interaction, which includes the dependence of the intermolecular interaction on the monomer deformations.

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Acknowledgments

Andrea Lombardi acknowledges financial support from the Dipartimento di Chimica, Biologia e Biotecnologie dell’Universitá di Perugia (FRB grant), from MIUR PRIN 2010-2011 (contract 2010ERFKXL\(\_\)002) and from “Fondazione Cassa Risparmio Perugia (Codice Progetto: 2015.0331.021 Ricerca Scientifica e Tecnologica)”. Federico Palazzetti, Andrea Lombardi and Vincenzo Aquilanti acknowledge the Italian Ministry for Education, University and Research, MIUR, for financial support through SIR 2014 Scientific Independence for young Researchers (RBSI14U3VF) and FIRB 2013 Futuro in Ricerca (RBFR132WSM\(\_\)003). Vincenzo Aquilanti thanks CAPES for the appointment as Professor Visitante Especial at Instituto de Fìsica, Universidade Federal de Bahia, Salvador (Brazil). Calculations were performed thanks to the support of the Virtual Organization COMPCHEM and the allocated computing time from the OU Supercomputing Center for Education&Research (OSCER) at the University of Oklahoma(OU).

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Authors and Affiliations

  1. Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, Perugia, Italy

    Andrea Lombardi, Noelia Faginas-Lago, Grossi Gaia, Palazzetti Federico & Vincenzo Aquilanti

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  1. Andrea Lombardi
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  2. Noelia Faginas-Lago
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  3. Grossi Gaia
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  4. Palazzetti Federico
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  5. Vincenzo Aquilanti
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Correspondence to Andrea Lombardi .

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Editors and Affiliations

  1. University of Perugia , Perugia, Italy

    Osvaldo Gervasi

  2. University of Basilicata , Potenza, Italy

    Beniamino Murgante

  3. Covenant University , Ota, Nigeria

    Sanjay Misra

  4. University of Minho , Braga, Portugal

    Ana Maria A. C. Rocha

  5. Polytechnic University , Bari, Italy

    Carmelo M. Torre

  6. Monash University , Clayton, Victoria, Australia

    David Taniar

  7. Kyushu Sangyo University , Fukuoka, Japan

    Bernady O. Apduhan

  8. Saint Petersburg State University , Saint Petersburg, Russia

    Elena Stankova

  9. Bei**g University of Posts & Telecommunication , Bei**g, China

    Shangguang Wang

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Lombardi, A., Faginas-Lago, N., Gaia, G., Federico, P., Aquilanti, V. (2016). Collisional Energy Exchange in CO\(_2\)–N\(_2\) Gaseous Mixtures. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2016. ICCSA 2016. Lecture Notes in Computer Science(), vol 9786. Springer, Cham. https://doi.org/10.1007/978-3-319-42085-1_19

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  • DOI: https://doi.org/10.1007/978-3-319-42085-1_19

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