ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels

Keyphrases

• Activation Energy 33%
• Alkanes 100%
• Arrhenius Parameters 33%
• Binary Mixture 33%
• Bio-derived 100%
• Bond Breaking 33%
• Chemical Intuition 33%
• Chemical Kinetic Model 33%
• Combustion Chemistry 33%
• Cyclohexane 33%
• Decomposition Kinetics 33%
• Decomposition Mechanism 33%
• Decomposition Rate 33%
• Density Condition 33%
• Ethylene 33%
• Fast Decomposition 33%
• Future Fuels 33%
• Increased Temperature 33%
• Jet Fuel 66%
• Low Temperature 33%
• Molecular Dynamics Simulation 33%
• Molecular Dynamics Study 100%
• Potential Alternatives 100%
• Pre-exponential Factor 33%
• Pyrolysis 100%
• Pyrolysis Chemistry 33%
• ReaxFF 100%
• ReaxFF Force Field 33%
• Sooting Tendency 33%
• Temperature Conditions 33%
• Temperature Effect 33%
• Unimolecular Reaction 33%

Chemical Engineering

• Cyclohexane 50%
• Pyrolysis 100%

Chemistry

• Polycyclic Alkane 100%
• Unimolecular Reaction 25%