Comparison of thermal and catalytic cracking of 1-heptene from ReaxFF reactive molecular dynamics simulations

Engineering & Materials Science

• Catalytic cracking 98%
• Molecular dynamics 81%
• Hydrocarbons 64%
• Computer simulation 39%
• Hot Temperature 34%
• Silica 31%
• Free radical reactions 19%
• Protonation 19%
• Aluminosilicates 14%
• Dehydrogenation 14%
• Jet engines 12%
• Atoms 10%
• Complex networks 10%
• Nanoparticles 10%
• Molecules 10%
• Temperature control 10%
• Hydrogen 8%
• Trajectories 7%

Chemical Compounds

• Thermal Cracking 100%
• Catalytic Cracking 88%
• Hydrocarbon 51%
• Simulation 45%
• Amorphous Material 28%
• Hydrated Silica 16%
• Force 14%
• Free Radical Reactions 13%
• Chemistry 12%
• Jet 11%
• Dehydrogenation 9%
• Fuel 8%
• Hydrogen 5%
• Nanoparticle 5%
• Molecule 3%

Physics & Astronomy

• hydrocarbons 68%
• molecular dynamics 52%
• simulation 27%
• silicon dioxide 27%
• cleavage 24%
• field theory (physics) 24%
• chemistry 20%
• hydrocarbon fuels 17%
• jet engines 17%
• dehydrogenation 15%
• alkanes 13%
• free radicals 13%
• trajectories 9%
• high speed 9%
• nanoparticles 8%
• products 7%
• hydrogen 7%
• molecules 6%
• atoms 6%