HomeChemistry & MaterialsCatalyst Volcano Plot (2D): Kinetic Monte Carlo Sabatier Explorer

Catalyst Volcano Plot (2D): Kinetic Monte Carlo Sabatier Explorer

Interactive 2D catalysis simulator: a live kinetic-Monte-Carlo lattice of independent surface sites hops stochastically between empty and bound states at Arrhenius rates set by a BEP scaling relation, and its measured turnover flux is shown converging in real time to the closed-form Sabatier volcano curve.

Chemistry & Materials2DAdvanced60 FPS📱 Mobile-adapted⇄ 3D version
2d-chemistry-ext-topic-25 ↗ Open standalone

This 2D companion to the catalyst volcano-plot simulator replaces the scripted 3D animation with an actual working kinetic Monte Carlo engine: hundreds of independent lattice sites, each an honest two-state Markov chain, hop between empty and bound at Arrhenius rates derived from the same Brønsted–Evans–Polanyi scaling relation and binding-energy descriptor ΔE. Every real turnover (a bound site releasing back to empty) is tallied, and the resulting measured flux is plotted live alongside the closed-form harmonic-mean formula for turnover frequency — watch the two converge as more site-seconds of simulated time accumulate, and see how the same asymmetry between adsorption and desorption barriers that produces the volcano shape also produces the "starved" and "poisoned" regimes as genuinely-simulated near-zero turnover rates, not just an animation slowdown.

⚙ Under the hood

A live kinetic-Monte-Carlo lattice of independent surface sites hops stochastically between empty and bound states at Arrhenius rates set by a BEP scaling relation, and its measured turnover flux is shown converging in real time to the closed-form Sabatier volcano curve.

catalysischemistrykineticskinetic monte carloscaling relationssurface chemistrycomputational chemistrystochastic simulation

2D · HTML5 Canvas 2D · 60 FPS target · runs fully client-side, no install

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