Stress and temperature relaxation towards equilibrium with reactions:
"reactive"
Reaction model
The reactant is consumed at constant density.
At any instant of time, the products will not necessarily be at the same
density as the reactant because of their different compressibility.
The mass reacted, its energy and the change in volume fraction
are taken into account in calculating the change in
product density and specific internal energy.
The reaction rate is `local' in the sense that it applies to each element
of unreacted material.
The reaction rate for the component as a whole is obtained by multiplying
the local rate by the volume fraction of that component.
Equilibration method
As for the equilibrating mixture.
Input
As for the equilibrating mixture, followed by:
number_of_reactions
For each:
reaction_rate
reactant_name
reactant_reference_specific_internal_energy
product_name
product_reference_state
number_of_states_in_product_compression_reference_curve
For each:
density specific_internal_energy state
specific_energy_released_in_reaction
maximum_mass_fraction_change_per_call (e.g. 0.3)
maximum_mass_fraction_change_per_subcycle (e.g. 0.1)
Notes:
- The energies and reference state allow the heat of reaction to be
calculated for arbitrary states of compression and heating.
A reference state is chosen for the reaction (e.g. STP)
and the energies and reference product state are calculated
for the reference state.
(This allows enthalpies of formation to be used, with suitable
scaling into the units used in the calculation.)
When reaction occurs at other pressures or temperatures,
the corresponding state of the reactants is used to calculate
the specific internal energy.
The difference between this value and the reference energy is added
to the specific energy release, and applied to the reference product
state (mixed with any other products already present) as heat.