Chemical Reaction Dynamics & Catalyst Kinetics Simulator

Reaction Presets Preset Systems

Chemical System

Thermodynamics & Kinetics

Temperature (T) 350 K

Uncatalyzed Ea 75 kJ/mol

Catalyzed Ea 35 kJ/mol

Reaction Enthalpy (ΔH) -45 kJ/mol

Enable Surface Catalyst

Reactant A Particles 50

Reactant B Particles 50

Real-time Product Yield Curve Product C %

Maxwell-Boltzmann Energy Distribution Threshold > Ea

Quantitative Analytics Arrhenius Solver

Arrhenius Rate (Uncat)

1.62e-11

m³/mol·s

Arrhenius Rate (Cat)

1.48e-05

m³/mol·s

Catalytic Speedup Factor

913500

× faster rate

Collision Efficiency

14.80%

% energetic collisions

Equilibrium Yield

82.40%

Product conversion

Observed Reaction Time

4.20s

microstate duration

Arrhenius Kinetic Equation

k = A · e^{-Ea / RT}

At 350 K with catalyst enabled, 14.80% of thermal particle collisions exceed the active activation barrier (35 kJ/mol), resulting in a catalytic rate boost of 913500× over the uncatalyzed route.

Collision Theory Insights

For a successful molecular transformation to occur:

Kinetic Energy: Colliding species must possess kinetic energy exceeding the transition state threshold $E_a$.
Catalysis: A surface catalyst provides a lower-energy intermediate pathway without altering total enthalpy $\Delta H$.
Temperature Dependence: Elevating temperature shifts the Maxwell-Boltzmann distribution toward higher energy states.