Chemical Effect of CH₄ on NH₃ Combustion in an O₂/N₂ Environment Via ReaxFF

Abstract

At a time of striving for CO2-free power, NH3 becomes a potential energy storage carrier fuel from renewable sources. The reaction molecular dynamics (ReaxFF-MD) method was used to study the effect of CH4 reactivity on NH3 oxidation in an O2/N2 environment. The conversion process of combustion intermediates in the combustion process is explored. Under fuel-rich, stoichiometric, and fuel-lean conditions, at a temperature of 2400–3200 K, mixed combustion of NH3 and CH4 with different concentration ratios is simulated. Studies have found that ammonia combustion and methane combustion are not competitive reactions. After adding methane, the consumption rate of ammonia will increase, but the intensity of the reaction will decrease. After adding methane, H2 is the product with the greatest impact on production. The H2O produced by the reaction will also participate in the subsequent reaction. Under different O2 concentrations, the quantitative changes before and after the reaction can be concretely reflected by ReaxFF simulation, which lays the foundation for subsequent research.

Blow-Off Limits, Flame Structure, and Emission Characteristics of Lean Partially Premixed Swirl-Stabilized Flames with NH3/CH4

“…Therefore, cofiring ammonia with more reactive fuels, such as methane, hydrogen, or biogas, is an effective method to promote flame instability. − For fundamental properties, Xiao et al experimentally and numerically studied the ignition delay time of NH 3 /CH 4 mixtures under gas turbine conditions . The results showed that ignition delay times were significantly decreased when the pressure increased.…”