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Simulation of Methane Production from Carbon Dioxide on a Collaborative Research Infrastructure

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

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Abstract

We have implemented the numerical simulation of the kinetics of the Ni-catalyzed H\(_2\) + CO\(_2\) process to assist the development of a prototype experimental apparatus producing methane. To this end the simulation program has been ported onto the segment of the distributed platform available to the Virtual Organization COMPCHEM as part of a set of use cases gathered to the end of establishing a European Research Infrastructure. The model adopted, the structure of the software and its parallel reorganization are discussed by taking as a reference the present working conditions of the apparatus in its location at the University of Perugia.

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Acknowledgments

Thanks are due to the PLC SYSTEM srl and to MASTER-UP srl for making the PROGEO experimental apparatus available at the University of Perugia.

Thanks are also due to COST CMST (action D37), EGI (projects EGEE III and EGI Inspire) and the Fondazione Cassa di Risparmio of Perugia (project 2014.0253.021 scientific and technological research) and the European Joint Doctorate on TCCM project ITN-EJD-642294. Theoretical Chemistry and Computational Modeling.

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Authors and Affiliations

  1. Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123, Perugia, Italy

    Carles Martí, Leonardo Pacifici & Antonio Laganà

  2. ENEA, Via Fermi 45, Frascati, Italy

    Andrea Capriccioli

Authors
  1. Carles Martí
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  2. Leonardo Pacifici
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  3. Andrea Capriccioli
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  4. Antonio Laganà
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Corresponding author

Correspondence to Carles Martí .

Editor information

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. Beijing University of Posts & Telecommunication , Beijing, China

    Shangguang Wang

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Martí, C., Pacifici, L., Capriccioli, A., Laganà, A. (2016). Simulation of Methane Production from Carbon Dioxide on a Collaborative Research Infrastructure. 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_25

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  • DOI: https://doi.org/10.1007/978-3-319-42085-1_25

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