Defining Reactions

Due to the heating of the coal particles, the coal volatile matter is released to the gas phase. The coal volatile mixes with the surrounding gases to undergo an oxidation process. In this tutorial, you specify the gas phase reactions in two steps.

To define reactions:
  1. For the Coal Combustion continuum, right-click the Models > Reacting > Reactions node and select New Reaction.
  2. Rename the Reactions > Reaction 1 node to CoalVol + O2 -> CO+H2O+N2+SO2.
  3. Set up the sub-nodes of the CoalVol + O2 -> CO+H2O+N2+SO2 node as follows:
    Node Action
    Reactants Right-click and select:
    1. Add Reactant > Gas Mixture > Coal Volatile.
    2. Add Reactant > Gas Mixture > O2
    O2 Set Stoich. Coeff to 2.16675.
    Products Right-click and select:
    1. Add Product > Gas Mixture > N2
    2. Add Product > Gas Mixture > CO
    3. Add Product > Gas Mixture > H2O
    4. Add Product > Gas Mixture > SO2
    N2 Set Stoich. Coeff to 0.043.
    CO Set Stoich. Coeff to 2.803.
    H2O Set Stoich. Coeff to 2.1165.
    SO2 Set Stoich. Coeff to 0.024.
  4. Create one more [Reaction] node and rename it as CO + 0.5O2 -> CO2:
  5. Set up the sub-nodes of the CO + 0.5O2 -> CO2 node as follows:
    Node Action
    Reactants Right-click and select:
    1. Add Reactant > Gas Mixture > CO.
    2. Add Reactant > Gas Mixture > O2.
    O2 Set Stoich Coeff to 0.5.
    Products Right-click and select Add Product > Gas Mixture > CO2.
  6. Save the simulation.