Promotion mechanism for the growth of CO<sub>2</sub> hydrate with urea using molecular dynamics simulations
Po-Wei Wang, David T. Wu, Shiang‐Tai Lin
Abstract
The role of urea as a kinetic promoter for the growth of CO2 hydrates is revealed for the first time using molecular dynamics simulations. Analysis of simulation trajectories shows that urea plays two important roles in the growth process: increasing mass transport of CO2 and catalyzing cage formation at the solid-liquid interface.
Topics & Concepts
UreaHydratePromotion (chess)Molecular dynamicsMechanism (biology)CatalysisChemistryInterface (matter)Chemical engineeringMaterials scienceChemical physicsComputational chemistryMoleculeOrganic chemistryPhysicsEngineeringQuantum mechanicsPoliticsPolitical scienceGibbs isothermLawMethane Hydrates and Related PhenomenaCO2 Sequestration and Geologic InteractionsHydrocarbon exploration and reservoir analysis