Thermal decomposition of ethanol. 4. Ab initio chemical kinetics for reactions of H atoms with CH₃CH₂O and CH₃CHOH radicals

Keyphrases

• Chemical Kinetics 100%
• Thermal Decomposition 100%
• H Atoms 100%
• Product Channel 100%
• Ethanol Decomposition 100%
• High Temperature 40%
• Deactivation 40%
• High Pressure High Temperature 40%
• Modelling Applications 40%
• High-low Temperature 40%
• Low Pressure 20%
• Atmospheric Pressure 20%
• Potential Energy Surface 20%
• Dehydration 20%
• CCSD(T) 20%
• Hydrogen Abstraction 20%
• Geometry Optimization 20%
• Master Equation 20%
• Ar Pressure 20%
• RRKM Theory 20%
• Ethanol Metabolites 20%
• Solution of Equations 20%
• Hydrogen Abstraction Reaction 20%
• Microcanonical 20%
• Pressure Condition 20%
• Unimolecular Decomposition 20%
• Indirect Association 20%
• Ethanol Oxidation 20%
• Practical Modeling 20%

Engineering

• Rate Constant 100%
• Torr 75%
• Low-Temperature 50%
• Hydrogen Abstraction 50%
• Potential Energy 25%
• Energy Surface 25%
• Master Equation 25%
• Pressure (P) 25%
• Predicted Value 25%
• Atmospheric Pressure 25%

Chemistry

• Pyrolysis 100%
• Rate Constant 100%
• Hydrogen 50%
• formation 50%
• Potential Energy Surface 25%
• CCSD 25%
• Master Equation 25%
• Collisional 25%