MOF Open Metal Site Catalysis — 2D Radial Diffusion View

Substrate Feed

Substrate concentration 18

Diffusion rate (pore mobility) 1.0×

Active Site

Lewis-acid capture radius 0.55

Catalytic rate k_cat (s⁻¹) 2.0

Active Site State

OPEN — awaiting substrate

Live Readouts

Turnovers (this site)

TOF (site⁻¹ min⁻¹)

0.0

Residence time (bound)

—

Free substrates

How it works

This is a 2D-native companion to the 3D MOF open-metal-site model: instead of an orbiting 3D pore, substrate molecules random-walk across a flat circular pore cross-section around a central open metal site, and the arena is paired with a live radial concentration profile — particle count converted to a true 2D areal density, ρ(r) = N(r)/(π(r_out²−r_in²)), binned into annuli around the site. This reveals a depletion zone the 3D view can't show directly: when the chemical step (k_cat) is fast relative to diffusive resupply, density near the site visibly dips below the disc-average (dashed) mean-field line.

Binding and reaction remain the same discrete stochastic law as the 3D model:

P(bind in Δt)   = 1 − exp(−k_on · Δt)
P(react in Δt)  = 1 − exp(−k_cat · Δt)
TOF = turnovers / (active sites · time)

Drag the arena to pan and scroll/pinch to zoom — the physics keeps running underneath; only your view of the pore changes. The strip chart tracks each turnover event as a tick plus the rolling 15 s turnover frequency, so you can watch the system settle between diffusion-limited (low concentration / small capture radius) and reaction-limited (low k_cat) regimes.

Substrate concentration — number of molecules diffusing across the pore disc.
Diffusion rate — random-walk step size (proxy for temperature / confinement).
Capture radius — reach of the open metal site's Lewis-acid field.
k_cat — intrinsic turnover rate of the bound intermediate.

Drag to pan · scroll to zoom