ReaxFF molecular dynamics simulation on the combustion mechanism of toluene/ethanol/n-heptane mixed fuel
Chun-Chen Xu, Jing Ye, Yong Zhang, Fang-Chao Hou, Bo-Cong Chen, Jing Sun, Zheng Mei, Liang Song
Topics & Concepts
ChemistryReaxFFTolueneMolecular dynamicsHeptaneCombustionEthanolComputational chemistryOrganic chemistryChemical engineeringInteratomic potentialEngineeringEnergetic Materials and CombustionAdvanced Combustion Engine TechnologiesRocket and propulsion systems research