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International Conference on Computational Science and Its Applications

ICCSA 2018: Computational Science and Its Applications – ICCSA 2018 pp 719–729Cite as

A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 10961))

Abstract

Silicon sulfide, SiS, has been recently detected in a shocked region around a Sun-like protostar (L1157-B1) with an anomalously high abundance with respect to the more common SiO. This has challenged our comprehension of silicon chemistry in the interstellar medium. In this paper, the reaction H+SiS2 has been computationally investigated by means of electronic structure and kinetic calculations to establish its role in the conversion of interstellar SiS2 into SiS by the abundant H atoms. The calculated reaction rate coefficients between 70–100 K are high enough to conclude that SiS2 cannot be considered a reservoir species of silicon or sulphur in interstellar objects and that, if formed, SiS2 is rapidly converted into SiS+HS by the reaction with atomic hydrogen.

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Acknowledgments

DS wishes to thank the Italian Ministero dell’Istruzione, Università e Ricerca (MIUR_FFABR17_SKOUTERIS) and the Scuola Normale Superiore (SNS_RB_SKOUTERIS) for financial support. N. F-L acknowledges financial support from Fondazione Cassa di Risparmio di Perugia (P2014/1255, ACT2014/6167). This work has been supported by the project PRIN-INAF 2016 The Cradle of Life - GENESIS-SKA (General Conditions in Early Planetary Systems for the rise of life with SKA). This project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme, for the Project “The Dawn of Organic Chemistry” (DCO), grant agreement No 741002. This work has also been supported by MIUR “PRIN 2015” funds, project “STARS in the CAOS (Simulation Tools for Astrochemical Reactivity and Spectroscopy in the Cyberinfrastructure for Astrochemical Organic Species)”, Grant Number 2015F59J3R.

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Authors and Affiliations

  1. Scuola Normale Superiore, 56126, Pisa, Italy

    Dimitrios Skouteris

  2. Dipartimento di Ingegneria Civile e Ambientale, Università degli Studi di Perugia, 06125, Perugia, Italy

    Marzio Rosi

  3. CNR-ISTM, 06123, Perugia, Italy

    Marzio Rosi

  4. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123, Perugia, Italy

    Nadia Balucani, Luca Mancini & Noelia Faginas Lago

  5. INAF, Osservatorio Astrofisico di Arcetri, 50125, Florence, Italy

    Nadia Balucani, Linda Podio & Claudio Codella

  6. Université Grenoble Alpes, IPAG, 38000, Grenoble, France

    Nadia Balucani, Bertrand Lefloch & Cecilia Ceccarelli

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  1. Dimitrios Skouteris
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  2. Marzio Rosi
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  3. Nadia Balucani
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  4. Luca Mancini
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  5. Noelia Faginas Lago
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  6. Linda Podio
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  7. Claudio Codella
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  9. Cecilia Ceccarelli
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Correspondence to Dimitrios Skouteris .

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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. Saint Petersburg State University, Saint Petersburg, Russia

    Elena Stankova

  5. Polytechnic University of Bari, Bari, Italy

    Carmelo M. Torre

  6. University of Minho, Braga, Portugal

    Ana Maria A.C. Rocha

  7. Monash University, Clayton, Victoria, Australia

    David Taniar

  8. Kyushu Sangyo University, Fukuoka shi, Fukuoka, Japan

    Bernady O. Apduhan

  9. Politecnico di Bari, Bari, Italy

    Eufemia Tarantino

  10. Myongji University, Yongin, Korea (Republic of)

    Yeonseung Ryu

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Skouteris, D. et al. (2018). A Theoretical Investigation of the Reaction H+SiS2 and Implications for the Chemistry of Silicon in the Interstellar Medium. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2018. ICCSA 2018. Lecture Notes in Computer Science(), vol 10961. Springer, Cham. https://doi.org/10.1007/978-3-319-95165-2_50

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  • DOI: https://doi.org/10.1007/978-3-319-95165-2_50

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