Isomerization (ISU) simulation

n-paraffins -> iso-paraffins (equilibrium limited)

Governing equations

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

$K$

isomerization equilibrium constant iso/normal

$K_{ref}$

equilibrium constant at the reference temperature

$\Delta H$

heat of reaction [J/mol] (negative = exothermic)

$T$

reactor temperature [K]

$T_{ref}$

reference temperature [K]

$R$

gas constant [J/mol/K]

$\alpha$

approach to equilibrium [0..1]

$y_{iso}$

iso fraction of the paraffin pair

Parameters

pairs [{normal, iso, k_ref, heat_of_reaction [J/mol]}], temperature [K], reference_temperature [K] (where k_ref was measured), approach_to_equilibrium [0..1], research_octane {component: RON} (optional — octane is reported only if given), pressure_drop [Pa]

Example flowsheets that use it