Prediction of the Three-Phase Coexistence Conditions of Pure Methane and Carbon Dioxide Hydrates Using Molecular Dynamics Simulations

• Main Author: Costandy, Joseph GN
• Other Authors: Economou, Ioannis G, Castier, Marcelo, Masad, Eyad
• Format: Thesis
• Language: English
• Published: 2015
• Subjects: molecular dynamics; direct phase coexistence; methane hydrate; bubble formation; carbon dioxide hydrate; methane solubility; carbon dioxide solubility; stochasticity; water-water interactions; water-guest interactions; Berthelot; Methane hydrate
• Online Access: https://hdl.handle.net/1969.1/155475

Clathrate hydrates are solid crystals that consist of three-dimensional networks of hydrogen-bonded water molecules forming well-defined cages within which small “guest“ molecules are needed in order to stabilize the structures. More than 130 different molecules can form hydrates when mixed with wat...