Development of comprehensive kinetic models of ammonia/methanol ignition using Reaction Mechanism Generator (RMG)

Mechanism development is a complex process by itself, and it is usually combined with experimental studies to understand and evaluate the ignition chemistry of the investigated fuel mixtures. In this work, the software Reaction Mechanism Generator (RMG) is used to automatically generate a kinetic mechanism for the auto-ignition of ammonia/methanol blend mixtures. The ignition delay time (IDT) of ammonia/methanol mixtures was measured in a high-pressure shock tube (HPST) at the pressure of 10 bar, equivalence ratios of 0.5, 1.0 and 2.0, and temperatures between 1050 and 1550 K for methanol content of 0-20%. These IDT data were combined with prior literature data for laminar burning velocity (LBV) at 1 atm and 298-448 K and the ignition delay time (IDT) at 20 and 40 bar and 845 - 1100 K. The detailed mechanism, containing 68 species and 467 elementary reactions, satisfactorily predicted the combined set of IDTs and LBVs of ammonia/methanol blends. (c) 2023 The Combustion Institute. Published by Elsevier Inc. All rights reserved.