Molecular simulations of methane hydrate crystal structure and spectroscopic properties

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dc.contributor.author Martos Villa, Rubén
dc.contributor.author Saínz Díaz, Carlos I.
dc.contributor.author Mata Campo, Maria Pilar
dc.date.accessioned 2020-09-25T12:12:24Z
dc.date.available 2020-09-25T12:12:24Z
dc.date.issued 2012
dc.identifier.citation Macla, n.16, 164-165 es_ES
dc.identifier.issn 2659-9864
dc.identifier.uri http://hdl.handle.net/20.500.12468/408
dc.description Congreso SEM-SEA 2012, reunión conjunta de las sociedades españolas de Mineralogía (XXXII Reunión) y Arcillas (XXII Reunión), celebrado en Bilbao entre el 27 y 30 de Junio de 2012 es_ES
dc.description.abstract Gas hydrates are crystalline compounds consisting of gas molecules encaged in cavities of a hydrogen-bonded network of water molecules. Gas hydrates are characterized by the general formula X·DH2O, where X is the guest molecule within a water cage, and D! is the hydration number per guest molecule. Three different gas hydrate structures can be found: sI, sII and sH (Sloan, 1998). Cubic sI structure consists of 46 water molecules per unit cell, forming two dodecahedron (small 512) and six tetradecahedron (large 51262) cages (Fig. 1) and is formed when small guest molecules such as methane are trapped. Methane hydrates are found in permafrost regions and sediments of the ocean floor in outer continental margin regions where medium pressures and low temperatures can be reached (Kvenvolden and Rogers, 2005). Gas Hydrates are important on Earth´s system because hydrate decomposition would cause the release of methane into atmosphere (high greenhouse gas) causing great impact on Earth´s climate, dramatically increasing the temperature of the planet. On the other hand, these natural gas hydrates are seen as a potential major energy resource es_ES
dc.description.sponsorship Departamento de Ciencias de la Tierra, Universidad de Cádiz, España es_ES
dc.description.sponsorship Instituto Andaluz de Ciencias de la Tierra, Consejo Superior de Investigaciones Científicas, España es_ES
dc.description.sponsorship Instituto Andaluz de Ciencias de la Tierra, Universidad de Granada, España es_ES
dc.description.sponsorship Unidad de Tres Cantos, Instituto Geológico y Minero de España, España es_ES
dc.language.iso en es_ES
dc.publisher Sociedad Española de Mineralogía es_ES
dc.relation CADHYS es_ES
dc.rights Acceso abierto es_ES
dc.subject metano es_ES
dc.subject hidratos es_ES
dc.subject simulación molecular es_ES
dc.subject methane es_ES
dc.subject hydrates es_ES
dc.subject molecular simulation es_ES
dc.title Molecular simulations of methane hydrate crystal structure and spectroscopic properties es_ES
dc.type Postprint es_ES
dc.relation.publisherversion http://www.ehu.eus/sem/macla_pdf/macla16/Macla16_164.pdf es_ES
dc.description.funder Junta de Andalucía, España es_ES


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