DAC — 0-D Cycle Simulator

Dynamic 0-D (CSTR) simulation of a 4-step temperature–vacuum swing direct-air-capture cycle — adsorption, evacuation, heating + vacuum desorption, and cooling/repressurisation — run to cyclic steady state. Model structure follows Glaser et al. (2025); equilibria use the Toth/GAB/modified-Toth fits of Balasubramaniam et al.’s five-sorbent DAC screening study and the Lewatit VP OC 1065 isotherms of Balasubramaniam et al. (Adsorption 2026); energy terms use the same forms as the group’s Simplified DAC energy model. Basis: 1 m³ of packed contactor.

Sorbent & cycle

Sorbent
preset
Cycle schematic

Conditions, cycle steps & equipment

Step durations & flows
tads
fan flow V̇I
pump speed (evac)
theat+vac
tcool
fan ΔP
Evacuation has no duration input: it runs at the pump speed until P reaches Pregen (tevac is an outcome). Flows are per m³ of contactor.
Ambient air & regeneration
Tamb
relative humidity
Tdes
Pregen
Air: 400 ppm CO2, balance N2, H2O from RH at Pamb = 1 atm. Tdes is the wall set point during heating and Pregen the pressure the pump holds.
Equipment, heat transfer & kinetics
ηfan
ηvac
vacuum-pump work
τheat (wall)
τcool (wall)
bed–wall Ua
mstr/msorb
cp,str
wall thermal mass
kCO2 (20 °C)
Ea(CO2)
kH2O (20 °C)
Ea(H2O)
Structure (contactor internals, mesh, laminate) is carried as a mass ratio to sorbent with its own cp — the same mstr·cp,str term as the Simplified DAC energy model; it adds to the bed thermal mass and so to the sensible duty. The wall follows a first-order approach to Tdes (heating) or Tamb (all other steps) and offers no thermal resistance of its own — the bed couples to it through the volumetric coefficient Ua. The LDF sliders set k at 20 °C; a nonzero activation energy scales each coefficient with the instantaneous bed temperature as k(T) = k20 exp[−Ea/R (1/T − 1/293.15)] (Arrhenius), so desorption at Tdes is faster than capture at ambient; Ea = 0 reproduces the constant-k model exactly.

Cycle KPIs at cyclic steady state

CO2 isotherms & cycle end states

H2O isotherm (GAB)

Temperature & pressure

CSS cycle

Loadings

qCO2 | qH2O

Gas composition

log scale

Parametric sweep

x-axis
y-axis
colour / curve: KPI
grid
Pick axes and run — every grid point is a full cyclic-steady-state simulation, so a 13×13 sweep takes a minute or two.