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Prediction of the CO2 Hydrate Phase Equilibria by Molecular Dynamic Simulation

Míguez Diaz, Jose Manuel and Conde, Maria Martin and Piñeiro, Manuel M. and Mendiboure, Bruno and Miqueu, Christelle and Torré, Jean-Philippe and Vega, Carlos Prediction of the CO2 Hydrate Phase Equilibria by Molecular Dynamic Simulation. (2014) In: WaterEurope Conference, 12 June 2014 - 14 June 2014 (Zaragoza, Spain). (Unpublished)

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Gas hydrates are crystalline, nonstoichiometric inclusion compounds formed under high pressure and at moderately low temperatures. Their structure consists of a three dimensional framework of hydrogenbonded water molecules which can incorporate a number of relatively small “guest” molecules, such as CH4, CO2, H2S. In this work, we have estimated the three phase coexistence line (CO2 hydrate – liquid H2O – liquid CO2) in CO2 hydrates by using molecular dynamics simulations

Item Type:Conference or Workshop Item (Poster)
Audience (conference):International conference without published proceedings
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Other partners > Total (FRANCE)
Other partners > Universidad Complutense de Madrid - UCM (SPAIN)
Other partners > Université de Pau et des Pays de l'Adour - UPPA (FRANCE)
Other partners > Universidade de Vigo - UVIGO (SPAIN)
Laboratory name:
Deposited On:06 Feb 2019 14:33

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