Gibbs reactor simulation

1+ inlets -> 1 outlet (free-energy min)

Governing equations

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

$G$

total Gibbs free energy of the mixture [J] — minimized to find equilibrium

$n_i$

moles of species i [mol/s] (the unknowns)

$n_{tot}$

total moles [mol/s]

$\Delta G^\circ_{f,i}(T)$

standard Gibbs energy of formation of species i at T [J/mol]

$P$

pressure [Pa]

$P^\circ$

reference pressure (1 atm)

$a_{ij}$

atoms of element j in one molecule of species i

$b_j$

total atoms of element j (conserved from the feed)

$R$

gas constant

Parameters

temperature [K, required]; optional product_species [list of candidate product component ids the reactor may form, e.g. ['co','co2','h2'] for CH4/H2O reforming], pressure_drop [Pa]. Finds the equilibrium composition by Gibbs free-energy minimization under element conservation (Aspen RGibbs equivalent) — no reaction network needed. Every considered species must be in the curated cited formation set (H2/N2/O2/H2O/CO2/CO/CH4/ethane/propane/ethylene/propylene/acetylene/methanol/ethanol/NH3/H2S/SO2/NO/NO2/benzene/toluene). Isothermal

Example flowsheets that use it