Theoretical insight into the catalytic effect of transition metal ions on the aquathermal degradation of heavy oil: A DFT study of cyclohexyl phenyl ether cleavage
Nail R. Khafizov, Timur Madzhidov, Mikhail A. Varfolomeev, Chengdong Yuan, Oleg N. Kadkin
Topics & Concepts
CatalysisChemistryTransition metalCarbocationEtherReaction rate constantMetal ions in aqueous solutionMetalPhysical chemistryTransition statePhenolComputational chemistryPhotochemistryKineticsOrganic chemistryQuantum mechanicsPhysicsPetroleum Processing and AnalysisSubcritical and Supercritical Water ProcessesCatalysis and Hydrodesulfurization Studies