Molecular dynamics predictions of transport properties for carbon dioxide hydrates under pre-nucleation conditions using TIP4P/Ice water and EPM2, TraPPE, and Zhang carbon dioxide potentials
André Guerra, Samuel Mathews, Jennifer Tram Su, Milan Marić, Phillip Servio, Alejandro D. Rey
Topics & Concepts
Carbon dioxideViscosityNucleationRheologyMolecular dynamicsWater modelThermodynamicsChemistryThermal diffusivityClathrate hydrateMaterials scienceHydratePhysicsComputational chemistryOrganic chemistryMethane Hydrates and Related PhenomenaCO2 Sequestration and Geologic InteractionsSpacecraft and Cryogenic Technologies