First-principles based kinetic model for the hydrogenation of toluene

Chemical Compounds

• Chemisorption Enthalpy 78%
• Toluene 59%
• Hydrogenation 58%
• Hydrogen 40%
• Adsorption Enthalpy 27%
• Statistical Mechanics 27%
• Reaction Enthalpy 25%
• Reaction Path 21%
• Reaction Order 20%
• Partial Pressure 18%
• Ab Initio Calculation 17%
• Platinum 14%
• Benzene 13%
• Reaction Activation Energy 13%
• Density Functional Theory 12%
• Gas 10%
• Catalyst 8%
• Surface 6%

Physics & Astronomy

• hydrogenation 87%
• toluene 85%
• kinetics 47%
• enthalpy 35%
• hydrogen 32%
• chemisorption 29%
• inlet pressure 19%
• statistical mechanics 14%
• benzene 13%
• platinum 12%
• partial pressure 12%
• catalysts 12%
• reaction kinetics 12%
• vapor phases 10%
• density functional theory 10%
• adsorption 10%
• trends 9%
• activation energy 9%
• evaluation 8%

Engineering & Materials Science

• Hydrogenation 100%
• Toluene 96%
• Hydrogen 42%
• Enthalpy 40%
• Chemisorption 40%
• Density functional theory 19%
• Statistical mechanics 19%
• Benzene 16%
• Partial pressure 15%
• Platinum 15%
• Reaction rates 15%
• Activation energy 13%
• Adsorption 12%
• Catalysts 11%
• Gases 7%