Abstract
Hydrogen, ammonia, and methanol are typical carbon-neutral fuels. Combustion characteristics and pollutant formation problems can be significantly improved by their blending. In this paper, reactive molecular dynamics were used to investigate the pollutant formation characteristics of hydrogen/ammonia/methanol blended fuel combustion and to analyze the mechanisms of CO, CO(2), and NO(X) formation at different temperatures and blending ratios. It was found that heating can significantly increase blending and combustion efficiency, leading to more active oxidizing groups and thus inhibiting N(2) production. Blended combustion pollutant formation was affected by coupling effects. NH(3) depressed the rate of CO production when CH(4)O was greater than 30%, but the amount of CO and CO(2) was mainly determined by CH(4)O. This is because CH(4)O provides more OH, H, and carbon atoms for CO and CO(2) to collide efficiently. CH(4)O facilitates the combustion of NH(3) by simplifying the reaction pathway, making it easier to form NO(X).