Abstract
A major challenge in the scientific research for strategies that use low-cost renewable energy is to design and develop heterogeneous /homogeneous catalysis processes that use waste CO2 to produce fuels in a circular economy regime. In this paper a theoretical and experimental study aiming at reusing CO2 and implementing a validated laboratory technology based on a prototype methanation reactor producing carbon neutral methane through the chemical conversion of CO2 waste flue gases using renewable energies, is presented. The first operational line of the work is the theoretical, computational and experimental treatment of elementary reactive and non-reactive molecular processes occurring inside the reactor in order to optimize its operating conditions and to identify possible technological improvements that are more compatible with the environment. Experimental determinations of methane yield by the reactor have been carried out using CO2 either taken from commercial bottles or produced from fermentation of wine and vegetable exhausted materials. To this end we have also undertaken a computational and experimental investigation of a new methanation pathway aimed at avoiding the use of the solid catalyst, by exploring mechanisms involving a plasma generation by electrical discharges or by vacuum ultraviolet (VUV) photons on CO2 + H2 gas mixtures. The measurements performed using a microwave discharge beam source developed in our laboratory gave useful indications on how to proceed to develop alternative solutions to the present Ni catalysed apparatus by resorting to a gas-phase-only process for the reduction of CO2 to CH4. These results demonstrate that the chemical reactivity of plasmas containing CO2 should be strongly increased thanks to the presence of CO+ and O+ ions having a very high kinetic energy. These ionic species are produced via Coulomb explosion of CO22+ molecular dications by the same process responsible for the erosion of the atmosphere of Mars.
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References
Cook, J., et al.: Environ. Res. Lett. 8, 2 (2013)
Oreskes, N.: Science 306(5702), 1686 (2004)
Falcinelli, S., et al.: Fuel 209, 802–811 (2017)
Laganà, A., Riganelli, A.: Reaction and Molecular Dynamics. Springer, Heidelberg (1999). https://doi.org/10.1007/978-3-642-57051-3. ISBN: 3-540-41202-6
Laganà, A., Parker, G. A.: Chemical Reactions Basic Theory and Computing. Springer, New York (2018). https://doi.org/10.1007/978-3-319-62356-6. ISBN: 978-3-319-62355-9
Falcinelli, S., Pirani, F., Vecchiocattivi, F.: Atmosphere 6(3), 299–317 (2015)
Falcinelli, S., Bartocci, A., Cavalli, S., Pirani, F., Vecchiocattivi, F.: Chem. Eur. J. 22(2), 764–771 (2016)
Falcinelli, S., Rosi, M., Cavalli, S., Pirani, F., Vecchiocattivi, F.: Chem. Eur. J. 22(35), 12518–12526 (2016).
PROGEO by PLC System. https://www.plc-spa.com/en/plc-system-progeo.php. Accessed 11 Mar 2021
Laboratoire de Chimie et Physique Quantiques - UMR5626. http://www.lcpq.ups-tlse.fr/?lang=fr. Accessed 11 Mar 2021
Rampino, S., Skouteris, D., Laganà, A., Garcia, E., Saracibar, A.: Phys. Chem. Chem. Phys. 11, 1752–1757 (2009)
Prats, H., Gamallo, P., Illas, F., Sayós, R.: J. Catal. 342, 75–83 (2016)
L’Energia che crea il tuo futuro by PLC System. https://www.plc-spa.com/it/index.php. Accessed 11 Mar 2021
RadioAstroLab. https://www.radioastrolab.it/. Accessed 11 Mar 2021
Chemical Processes by Johnson Matthey. http://www.jmprotech.com/methanation-catalysts-for-hydrogen-production-katalco. Accessed 16 Mar 2021
Martì Aliod, C.: Networked computing for ab initio modelling the chemical storage of alternative energy, ITN-EJD-TCCM Ph.D. thesis. Università degli Studi di Perugia (Italy) and Universitè P. Sabatier de Toulouse (France), 14 December 2018
Pei, L., Carrascosa, E., Yang, N., Falcinelli, S., Farrar, J. M.: J. Phys. Chem. Lett. 6(9), 16841689 (2015)
Brunetti, B., et al.: Chem. Phys. Lett. 539–540, 19–23 (2012)
Falcinelli, S., Vecchiocattivi, F., Pirani, F.: Phys. Rev. Lett. 121, 163403 (2018)
Balucani, N., et al.: Chem. Phys. Lett. 546, 34–39 (2012)
Leonori, F., et al.: Phys. Chem. Chem. Phys. 11(23), 4701–4706 (2009)
Dobrea, S., Mihaila, I., Popa, G.: Carbon dioxide dissociation in a 2.45 GHz microwave discharge. In: Proceedings of 1st ICPIG, Granada, Spain, vol. 14 (2013)
Dobrea, S., Mihaila, I., Tiron, V., Popa, G.: Roman Rep. Phys. 66, 1147–1154 (2014)
de la Fuente, J.F., Moreno, S.H., Stankiewicz, A.I., Stefanidis, G. D.: Int. J. Hydrogen Energy 41, 21067–21077 (2016)
Falcinelli, S.: Catal. Today 348, 95–101 (2020)
Hayashi, N., Yamakawa, T., Baba, S.: Vacuum 80, 1299–1304 (2006)
Gervasi, O., Laganà, A.: SIMBEX: a portal for the a priori simulation of crossed beam experiments. Futur. Gener. Comput. Syst. 20(5), 703–716 (2004)
Laganà, A., et al.: Virt&l-Comm.10.2016.6. http://services.chm.unipg.it/ojs/index.php/virtlcomm/article/view/151. Accessed 16 Mar 2021
Laganà A., Riganelli A., Gervasi O. (2006) On the Structuring of the computational chemistry virtual organization COMPCHEM. In: Gavrilova, M., et al. (eds.) Computational Science and Its Applications - ICCSA 2006. ICCSA 2006. Lecture Notes in Computer Science, vol. 3980. Springer, Heidelberg. https://doi.org/10.1007/11751540_70
Towards a CMMST VRC team project report. https://wiki.egi.eu/wiki/Towards_a_CMMST_VRC. Accessed 16 Mar 2021
European Cost Action D23: Metalaboratories For Complex Computational Applications in Chemistry. https://www.cost.eu/actions/D23/#tabs|Name:overview/. Accessed 16 Mar 2021
European Cost Action D37: Grid Computing in Chemistry. https://www.cost.eu/actions/D37/#tabs|Name:overview/. Accessed 16 Mar 2021
European Chemistry Thematic network. http://ectn.eu/. Accessed 16 Mar 2021
Enabling Grids for E-sciencE III (EGEE III). https://cordis.europa.eu/project/rcn/87264/factsheet/en. Accessed 16 Mar 2021
EGI-Inspire. https://wiki.egi.eu/wiki/EGI-InSPIRE:Main_Page. Accessed 16 Mar 2021
Laganà, A.: Virt&l-Comm.16.2019.5. http://services.chm.unipg.it/ojs/index.php/virtlcomm/article/view/210. Accessed 16 Mar 2021
European Open Science Cloud. https://ec.europa.eu/research/openscience/index.cfm?pg=open-science-cloud. Accessed 16 Mar 2021
EOSCpilot. https://eoscpilot.eu/. Accessed 16 Mar 2021
Vitillaro, G., Laganà, A.: Virt&l-Comm.20.2020.7. http://services.chm.unipg.it/ojs/index.php/virtlcomm/article/view/248. Accessed 2 Apr 2021
Laganà, A., Garcia, E.: Virt&l-Comm.18.2019.3. http://services.chm.unipg.it/ojs/index.php/virtlcomm/article/view/219. Accessed 16 Mar 2021
Skouteris, D., Balucani, N., Faginas-Lago, N., Falcinelli, S., Rosi, M.: A&A 584, A76 (2015)
EChemTest by ECTN. http://ectn.eu/committees/virtual-education-community/echemtest/. Accessed 16 Mar 2021
Laganà, A., di Giorgio, L.: Lecture Notes in Computer Science, vol. 10962, pp. 549–562 (2018)
QCArchive. https://qcarchive.molssi.org/. Accessed 16 Mar 2021
NIST Chemical Kinetics Database. http://kinetics.nist.gov. Accessed 16 Mar 2021
Wakelam, V., et al.: AstroPhys. J. Suppl. Ser. 199, 21 (2012)
McElroy, D., Walsh, C., Markwick, A.J., Cordiner, M.A., Smith, K., Millar, T.J.: A&A 550, A36 (2013)
Laganà, A., Gervasi, O., Tasso, S., Perri, D., Franciosa, F.: The ECTN virtual education community prosumer model for promoting and assessing chemical knowledge. In: Gervasi, O., Murgante, B., Misra, S., Stankova, E., Torre, C.M., Rocha, A.M.A.C., Taniar, D., Apduhan, B.O., Tarantino, E., Ryu, Y. (eds.) ICCSA 2018. LNCS, vol. 10964, pp. 533–548. Springer, Cham (2018). https://doi.org/10.1007/978-3-319-95174-4_42
Álvarez-Moreno, M., de Graaf, C., López, N., Maseras, F., Poblet, J.M., Bo, C.: J. Chem. Inf. Model. 55(1), 95–103 (2015)
I.S.A.FO.M. by CNR, Perugia. http://www.iro.pg.cnr.it/. Accessed 16 Mar 2021
3A Parco Tecnologico Agroalimentare Dell'Umbria, Pantalla Todi (Italy). http://www.parco3a.org. Accessed 16 Mar 2021
Alagia, M., et al.: Phys. Chem. Chem. Phys. 12, 5389–5395 (2010)
Falcinelli, S., Pirani, F., Alagia, M., Schio, L., Richter, R., et al.: Chem. Phys. Lett. 666, 1–6 (2016)
Falcinelli, S., Rosi, M., Candori, P., Farrar, J.M., Vecchiocattivi, F., et al.: Planet. Space Sci. 99, 149–157 (2014)
Falcinelli, S., Vecchiocattivi, F., Pirani, F.: Commun. Chem. 3(1), 64 (2020)
Falcinelli, S., Farrar, J. M., Vecchiocattivi, F., Pirani, F.: Acc. Chem. Res. 53, 2248–2260 (2020)
Leonori, F., et al.: Chem. A 113(16), 4330–4339 (2009)
De Petris, G., Cartoni, A., Rosi, M., Barone, V., Puzzarini, C., Troiani, A.: ChemPhysChem 12(1), 112–115 (2011)
Alagia, M., et al.: Lincei Sci. Fis. Nat. 24(1), 53–65 (2013)
Podio, L., et al.: MNRAS 470(1), L16–L20 (2017)
Thema, M., Bauer, F., Sterner, M.: Power-to-Gas: Renewable & Sustainable Energy Reviews 112, 775–787 (2019)
Vogt, C., Monai, M., Kramer, G.J., Weckhuysen, B.M.: Nat. Catal. 2(3), 188–197 (2019)
George, A., et al.: Renew. Sustain. Energy Rev. 135, 109702 (2021)
Acknowledgments
This work was supported and financed with the “Fondo Ricerca di Base, 2018, dell’Università degli Studi di Perugia” (Project Titled: Indagini teoriche e sperimentali sulla reattività di sistemi di interesse astrochimico). Support from Italian MIUR and University of Perugia (Italy) is acknowledged within the program “Dipartimenti di Eccellenza 2018-2022”.
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Falcinelli, S., Rosi, M., Parriani, M., Laganà, A. (2021). Free-Methane - from the Ionosphere of Mars Towards a Prototype Methanation Reactor: A Project Producing Fuels via Plasma Assisted Carbon Dioxide Hydrogenation. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2021. ICCSA 2021. Lecture Notes in Computer Science(), vol 12953. Springer, Cham. https://doi.org/10.1007/978-3-030-86976-2_40
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