Investigation of the chemical mechanism of pollutant formation in co-firing of ammonia and biomass lignin

Abstract

Ammonia (NH3) and biomass are recognised as renewable energy carriers with substantial promise for reducing carbon emissions. However, the issue of nitrogen oxides (NOX, including NO and NO2) and nitrous oxide (N2O) emissions from ammonia combustion and soot from biomass combustion, remains a pressing concern due to their detrimental impacts on the environment and human health. This study investigated the mechanism of pollutant formation during ammonia-lignin co-firing through reactive molecular dynamics (RMD) simulations. The results indicate that co-firing a certain amount of ammonia with lignin can reduce the formation of soot. This is mainly due to NH2 radicals converting a portion of polycyclic aromatic hydrocarbon (PAH) precursors into C–N compounds. However, it is necessary to maintain higher ammonia concentrations. Adding a small quantity of ammonia would decrease the extent of oxidative reactions within the system and fail to generate enough NH2 radicals to consume the carbon atoms forming PAH precursors, ultimately resulting in increased soot production. The impact of lignin on the formation of NOX and N2O during ammonia combustion has two main aspects: Firstly, the oxidising radicals formed during the initial decomposition of lignin promote the generation of N–O bonds, leading to an increase in the quantities of NOX and N2O during the initial reaction stage. Secondly, the carbon-containing products produced from lignin decomposition consume nitrogen atoms by forming N–C bonds, thereby diminishing available nitrogen atoms for nitrogen oxides formation. This study provides new insights into the formation of primary pollutants of ammonia and biomass co-firing on an atomic scale, which can help develop pollutant mitigation measures.