A Combined Theoretical/Experimental Laboratory Study on Isopropyl Nitrate Pyrolysis
Researcher:
Carstensen , Hans-Heinrich
Congress:
Proceedings of the European Combustion
Participation type:
Comunicación oral
Other authors:
J. Bourgalais, N. Vin, O. Herbinet, M.U. Azuelta, F. Battin-Leclerc
Year:
2021
Location:
Napoli, Italy
While the thermal decomposition of alkyl nitrates is dominated by the homolytic cleavage of the nitrate bond, the subsequent chemistry of the initial products is less well known. This work aims to improve the knowledge of alkyl nitrates kinetics by studying the pyrolysis of isopropyl nitrate (iPN) in a tubular reactor at atmospheric pressure and temperatures ranging from 373 to 773K and residence times of 2 s. Preliminary results show that iPN decomposition starts at 450 K with O-N bond fission producing isopropoxy radical (i-C3H7O) and NO2. i-C3H7O is rapidly converted to acetaldehyde (CH3CHO), which is the most abundant product detected. Other major products are formaldehyde (CH2O), methanol (CH3OH), nitromethane (CH3NO2), NO, methane, formamide (CHONH2), and methyl nitrite (CH3ONO). A modified POLIMI mechanism is able to predict the decomposition of iPN as well as some major product reasonably well but deviations for other species indicate that further improvements are needed.
While the thermal decomposition of alkyl nitrates is dominated by the homolytic cleavage of the nitrate bond, the subsequent chemistry of the initial products is less well known. This work aims to improve the knowledge of alkyl nitrates kinetics by studying the pyrolysis of isopropyl nitrate (iPN) in a tubular reactor at atmospheric pressure and temperatures ranging from 373 to 773K and residence times of 2 s. Preliminary results show that iPN decomposition starts at 450 K with O-N bond fission producing isopropoxy radical (i-C3H7O) and NO2. i-C3H7O is rapidly converted to acetaldehyde (CH3CHO), which is the most abundant product detected. Other major products are formaldehyde (CH2O), methanol (CH3OH), nitromethane (CH3NO2), NO, methane, formamide (CHONH2), and methyl nitrite (CH3ONO). A modified POLIMI mechanism is able to predict the decomposition of iPN as well as some major product reasonably well but deviations for other species indicate that further improvements are needed.