Reactor simulation

1 inlet -> 1 outlet (stoichiometric conversion)

Governing equations

The exact equations the solver works for a reactor — the same math shown in the app's "Theory" panel, not a black box.

$\xi$

reaction extent [mol/s]

$X$

conversion of the key component

$F$

molar flow [mol/s]

$z$

mole fraction

$\nu$

stoichiometric coefficient

$\dot n$

component molar flow [mol/s]

$h$

molar enthalpy [J/mol]

$\Delta H_{rxn}$

heat of reaction [J/mol]

$Q$

duty [W]

$i$

component index

Parameters

stoichiometry {component: coefficient (- reactants, + products)}, key_component (a reactant), conversion (0..1]; optional heat_of_reaction [J/mol extent, +endothermic], outlet_temperature [K] (else adiabatic); optional activation_energy [J/mol] adds Arrhenius temperature->rate feedback in a dynamic run (thermal runaway; steady state unaffected)

Example flowsheets that use it