Fundamentals for the S2 example simulation

The model creates the pseudo-component based on the weight distribution of the atomic species in the ultimate analysis and their respective molecular weights. This results in a lumped molecular formula with a general composition of CaHbOcNdSeClfFg, where we adjust coefficients a through g to meet the mass composition. We can then derive the molecular weight from this pseudo-formula.

The burner uses the following simple combustion reactions from the reaction submodel:

The model calculates the stoichiometric mass of oxygen by using these reactions and the pseudo-formula, which then allows us to calculate the stoichiometric air-to-fuel ratio. This also lets us know the number of moles of each combustion product that we generate by burning one mole of the pseudo-molecule.

We represent ash as another pseudo-component. Its molecular weight corresponds to a typical mix of mineral oxides. We calculate the number of moles of ash produced by the combustion from the ultimate analysis, as we do for the other components.

To calculate the heat of reaction, we need to know the heat of formation of the pseudo-molecule, so that later we can use a simple energy balance to get the appropriate flame temperature.

To calculate the heat of formation of the pseudo-molecule, we use the heat of formation of the combustion products and the calculated reaction rates from the preceding step, along with the higher heating value (HHV) of the fuel and the latent heat of the produced water.