芳香族炭化水素の凝集過程(燃焼反応とPM問題,内燃機関の燃焼化学と排出物制御)

抄録

In present study, aggregation processes of Polycyclic Aromatic Hydrocarbons (PAH) are numerically simulated by Molecular Dynamics (MD) to clarify the formation of Particulate Matter (PM) in exhaust gas of diesel engine. Aggregation kinetics of Benzene, Naphtalene, Anthracene molecules and their mixture at ensemble of constant temperature ant volume are studied. Fraction of transformation of the aggregation is quantified by internal energy change and is analyzed by Avrami formula. The aggregation rate of Benzene increases with molar fraction of Anthracene. Similar quantity of exponent of Avrami formula for every molecules show that the aggregation occurs under same phase transformation mechanism.