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Catalyst Surface Kinetics p5.js Engine

Microstate particle simulation & reaction energy pathway explorer

Presets:

2D Particle Surface Dynamics

● Reactant A+B ● Intermediate ● Product C

Potential Energy Surface (PES)

ΔH = -25 kJ/mol
Reactants Products Uncat Ea (75 kJ) Cat Ea (32.5 kJ)
Uncatalyzed Ea 75.0 kJ/mol
Catalyzed Ea 32.5 kJ/mol
30s Conversion
88.5% Yield
Turnover Freq (TOF)
4.8 s⁻¹ Rate
Rate Multiplier
14.2x vs Bulk
Site Occupancy
66.7% 8 / 12

Arrhenius & Surface Parameters

350 K
40 particles
12 sites

Catalyst Reaction Kinetics Result Summary

Validated macrostate kinetics & Arrhenius surface adsorption analysis

Status: Complete
Reaction Rate Multiplier 14.2x
Turnover Frequency (TOF) 4.8 s⁻¹
30s Yield Conversion 88.5%
Thermodynamic ΔH -25.0 kJ/mol

The catalyst lowers the transition state activation energy barrier ($E_a$) from 75.0 kJ/mol down to 32.5 kJ/mol, accelerating forward and reverse rate constants equally while leaving overall thermodynamic equilibrium ($\Delta H = -25 \text{ kJ/mol}$) completely invariant.

Surface-catalyst proxies and accumulated conversion

Read the explanation

For the first two simulated seconds after reset, this source overrides its computed outputs to presentation values: conversion eighty-eight point five percent, multiplier fourteen point two and turnover frequency four point eight. Those values are placeholders rather than zero-time physical measurements. After that branch ends, the saved barriers of seventy-five and thirty-two point five kilojoules at three hundred fifty kelvin imply an exponential ratio about two million two hundred three thousand. Its display divides by one hundred thousand and clamps, giving about twenty-two point zero three. The bars represent that later analytical branch. Outside the first-two-second presentation override, turnover frequency derives from the same ratio times point zero five times temperature over three hundred, clamped from point one to twenty-five. That branch reaches twenty-five at the defaults. With no active sites or the uncatalyzed preset the branch assigns multiplier one and turnover point two, although the early presentation override can mask it. These branches are saved teaching heuristics, not independently fitted catalytic kinetics. Outside the first-two-second presentation override, conversion is products divided by reactants injected, clamped from zero to one hundred. Ten products out of forty imply twenty-five percent, and twenty imply fifty percent. At reset, however, the source still displays eighty-eight point five despite clearing product count. The exported yield therefore cannot be treated as a physical zero-time conversion measurement. This explanation preserves the source and makes that limitation explicit; neither the particle movie nor a placeholder certifies real catalyst kinetics.

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