Chemical Reaction Dynamics & Catalyst Simulator

p5.js Kinetics Engine
Presets:
2D Physical Reaction Chamber (A + B → AB)
Vessel Vol: 1.0 L
Reactants (A: 20 | B: 20)
Products (AB): 0
Active Transition State: 0
Maxwell-Boltzmann Velocity Distribution
Particle Speeds
Activation Energy Threshold
Potential Energy Reaction Coordinate
Uncatalyzed Barrier
Catalyzed Pathway
Collision Theory Mechanics: For a reaction to occur, molecules A and B must collide with kinetic energy exceeding the activation barrier (Ea) AND satisfy the steric orientational alignment vector (≤ 80% threshold). Introducing a heterogeneous catalyst surface docks molecules, lowers effective Ea, and aligns reactive dipole faces.
System Kinetic Parameters
System Temperature (T) 350 K
Activation Energy (Ea) 50.0 kJ/mol
Required Alignment Vector 80%
Heterogeneous Catalyst Surface
Reduces Ea by 25 kJ/mol & docks molecules
Arrhenius Kinetic Telemetry
Rate Constant (k) 0.00e+0
Conversion Yield 0.0%
Total Collisions 0
Reaction Success Rate 0.0%
Arrhenius Equation:
k = A • exp(-Ea / RT)
Computed Frequency Factor A = 1.0 × 105 s-1 | R = 8.314 J/(mol•K)
Reaction Telemetry Status
Active Kinetic Session
Yield: 0.0% | k = 0.00e+0

How source rate, catalyst and orientation rules respond

Read the explanation

This source simulator displays a rate using an Arrhenius formula. We compare the dimensionless normalized rate k divided by its fixed frequency factor A. Keep the uncatalyzed barrier at fifty kilojoules per mole. The exponent converts that barrier to fifty thousand joules per mole and divides by eight point three one four times absolute temperature in kelvin. Raise temperature from one hundred fifty to six hundred kelvin. Follow the cyan marker upward. The vertical axis is explicitly log base ten of k divided by A, so each unit means ten times the normalized rate. The source changes that log ratio from about minus seventeen point four one to minus four point three five. The exponential sensitivity comes from making the negative exponent less negative. The frequency factor cancels from this normalized comparison. These are the source mathematical values, not a measured chemical reaction or a prediction of product yield in its animated chamber. Now hold temperature at three hundred fifty kelvin and vary the entered barrier. The blue curve uses the uncatalyzed barrier itself. The yellow curve uses the source catalyst rule: subtract twenty five kilojoules per mole, then enforce a minimum effective barrier of five. Both curves share the same log normalized rate axis. Increase the entered barrier from ten to ninety kilojoules per mole. The uncatalyzed point falls throughout. The catalyst point stays on its five kilojoule floor until the entered barrier exceeds thirty, then falls too. Its higher position means a larger normalized rate under this particular formula. The plateau is an explicit software clamp, not a discovery of a universal catalytic limit. The source prescribes the twenty five kilojoule reduction. No actual material, mechanism, measured rate unit or reactor conversion is established by this comparison. The orientation slider controls a different test in the collision routine. The source forms an absolute angle difference modulo two pi, then accepts orientation when that difference is no larger than two pi times the slider percentage divided by one hundred. The cyan point shows this maximum allowed source difference in radians. Increase orientation alignment from ten to one hundred percent. The limit grows from about zero point six two eight to six point two eight three radians. The orange horizontal line is a fixed hypothetical difference of pi radians. It qualifies at fifty percent and above, when the cyan limit reaches or exceeds that line. This orientation gate is separate from the Arrhenius rate readout, which does not depend on the orientation slider. A source collision still needs enough kinetic energy as well. The angle rule and chamber energy scaling are illustrative simulation assumptions, not a calibrated probability of molecular reaction.

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