MaximaLabs
All unit operations

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.

ξ=XkeyFzkeyνkey\xi = X_{key}\,\frac{F\,z_{key}}{|\nu_{key}|}
n˙i,out=n˙i,in+νiξ\dot n_{i,out} = \dot n_{i,in} + \nu_i\,\xi
Fouthout=FinhinΔHrxnξ+QF_{out}h_{out} = F_{in}h_{in} - \Delta H_{rxn}\,\xi + Q
\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

Stop fighting legacy software. Build your first flowsheet in 60 seconds.