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.