Methanol oxy-combustion and supercritical water oxidation: A ReaxFF molecular dynamics study
M. Monge-Palacios, E. Grajales-González, S. Mani Sarathy
Topics & Concepts
Supercritical fluidCombustionMethanolChemistryDissociation (chemistry)Molecular dynamicsKinetic energySupercritical water oxidationChemical engineeringComputational chemistryOrganic chemistryEngineeringQuantum mechanicsPhysicsSubcritical and Supercritical Water ProcessesCatalysis and Oxidation ReactionsPhase Equilibria and Thermodynamics