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Campo DC | Valor | Idioma |
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dc.rights.license | Copyright © 2020, American Chemical Society | - |
dc.contributor.author | Izquierdo Ruiz, F. | - |
dc.contributor.author | Recio, J. M. | - |
dc.contributor.author | Prieto Ballesteros, O. | - |
dc.contributor.other | Unidad de Excelencia Científica María de Maeztu Centro de Astrobiología del Instituto Nacional de Técnica Aeroespacial y CSIC, MDM-2017-0737 | - |
dc.date.accessioned | 2021-04-12T09:57:04Z | - |
dc.date.available | 2021-04-12T09:57:04Z | - |
dc.date.issued | 2020-10-30 | - |
dc.identifier.citation | ACS Earth Space Chemistry 4(11): 2121-2128(2020) | es |
dc.identifier.other | https://pubs.acs.org/doi/10.1021/acsearthspacechem.0c00198 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.12666/236 | - |
dc.description.abstract | On the basis of results from exhaustive first-principles simulations, we report a thorough description of the recently identified high pressure phase of the CO2 hydrate, and provide an estimation of the transition pressure from the sI low pressure phase to the C-0 high pressure (HP) phase around 0.6 GPa. The vibrational properties calculated here for the first time might be useful to detect this HP structure in extraterrestrial environments, such as the Jupiter ice moons. Interestingly, we also find that CO2 gas molecules are quasi-free to diffuse along the helical channels of the structure, thus allowing the interchange of volatiles across a solid icy barrier. Taking into account its density and comparing it with other substances, we can estimate the naturally occurring zone of this CO2@H2O HP phase within a giant ice moon such as Ganymede. Other potential planetary implications that all of the found properties of this hydrate might have are also discussed. | es |
dc.description.sponsorship | Financial support from MCIU, Principado de Asturias-FICYT, and FEDER (projects PGC2018-094814-B-C22, FC-GRU-PIN-IDI/2018/000177, RED2018-102612-T) are gratefully acknowledged. We would like to thank the MALTA-Consolider computational facilities for providing us the computational resources. OPB would like to thank the Spanish MINECO projects ESP2017-89053-C2-1-P, RED2018-102612-T, and the AEI project MDM-2017-0737 Unidad de Excelencia "Maria de Maeztu"; With funding from the Spanish government through the "María de Maeztu Unit of Excellence" accreditation (MDM-2017-0737). | es |
dc.language.iso | eng | es |
dc.publisher | ACS Publications | es |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RED2018-102612-T/ES/MALTA-CONSOLIDER TEAM/ | - |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-094814-B-C22/ES/MECANOQUIMICA EN CONDICIONES CONTROLADAS DE PRESION: AVANCES METODOLOGICOS/ | - |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/ESP2017-89053-C2-1-P/ES/ESTRATEGIAS DE EXPLORACION ASTROBIOLOGICA DE LUNAS HELADAS CON OCEANOS: SIMULACIONES EXPERIMENTALES DE APOYO A LAS MISIONES JUICE, EUROPA CLIPPER Y EUROPA LANDER/ | - |
dc.subject | Ab initio calculations | es |
dc.subject | High pressure | es |
dc.subject | Planetary science | es |
dc.subject | Phase transition | es |
dc.subject | Clathrates | es |
dc.subject | Hydrates | es |
dc.subject | Ganymede | es |
dc.title | Theoretical Characterization of the High Pressure Nonclathrate CO2 Hydrate | es |
dc.type | info:eu-repo/semantics/article | es |
dc.contributor.orcid | Izquierdo Ruiz, F. [0000-0001-7237-4720] | - |
dc.contributor.orcid | Prieto Ballesteros, O. [0000-0002-2278-1210] | - |
dc.contributor.orcid | Recio, J. M. [0000-0002-3182-7508] | - |
dc.identifier.doi | 10.1021/acsearthspacechem.0c00198 | - |
dc.identifier.e-issn | 2472-3452 | - |
dc.contributor.funder | Agencia Estatal de Investigación (AEI) | - |
dc.description.peerreviewed | Peer review | es |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | - |
dc.rights.accessRights | info:eu-repo/semantics/restrictedAccess | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | - |
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