Adsorbent Presets

Adsorbent presets

Preset	System	Isotherm	Mixing	Properties from
Zeolite 13X (default)	CO₂/N₂	DSL both	Competitive	Haghpanah et al. (2013), Table 3; isotherm from Wilkins & Rajendran (2019)
Activated Carbon	CO₂/N₂	Toth both	IAST	Dantas et al. (2011), Tables 1 and 8
CALF-20 (pellet)	CO₂/N₂	DSL (CO₂) / SSL (N₂)	IAST	Nguyen et al. (2022), Table 2
Mg-MOF-74	CO₂/N₂	—	IAST	Rajagopalan et al. (2016) — isotherm parameters only
UTSA-16	CO₂/N₂	—	IAST	Rajagopalan et al. (2016) — isotherm parameters only
Custom	any	any	kept as set	Everything entered by you

For Zeolite 13X, Activated Carbon and CALF-20, bed and particle properties are taken directly from the cited paper. Mg-MOF-74 and UTSA-16 are supplied with published isotherm parameters only: no published source for their $\rho_s$, $C_{p,s}$ or particle properties has been confirmed, so selecting either preset leaves those fields at their current values, and the citation box says so. For these two presets, and for Custom, verify the Thermal & Transport and Column Geometry fields against your own material before relying on a run.

Each preset also sets the mixture equilibrium rule. Zeolite 13X uses extended-Langmuir (competitive) mixing, because its dual-site constants share a single pair of site capacities across CO₂ and N₂, the condition under which the extended-Langmuir rule is thermodynamically consistent. The remaining presets use IAST. Either rule can be changed manually, and saved cases without a recorded rule load as IAST, so earlier cases reproduce their original results.

Each preset also sets the mass-transfer model. CALF-20 uses macropore diffusion with molecular and Knudsen diffusion in series (Bosanquet), with a mean pore radius of 71.9 nm; the other presets use macropore diffusion with molecular diffusion only. Both can be changed in the Mass transfer step.