Condition Set 1
Condition Set 2
Kinetic Charting Engine
Kinetic Target Challenge Game
Optimize Set 2 reaction conditions to meet specific product yield & kinetic targets under physical constraints.
Produce at least 0.35 moles of C within 40 seconds using Set 2 parameters.
Set 2 Configuration Sliders
Numerical Data Inspector
Time-series kinetic data sampled across simulation runtime.
| Time (s) | Set 1 nC (mol) | Set 1 [B] (M) | Set 1 Rate (M/s) | Set 2 nC (mol) | Set 2 [B] (M) | Set 2 Rate (M/s) |
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Heterogeneous Chemical Kinetics Theory
Mathematical and physical foundations of the $A(s) + 2B(aq) \rightarrow C(aq)$ reaction.
1. Integrated Rate Law (2nd Order in B)
For the elementary step A(s) + 2B(aq) → C(aq) with rate law r = keff[B]2:
The yield of product C in moles is:
2. Arrhenius Equation & Temperature
The rate constant k increases exponentially with absolute temperature T (K) according to the Arrhenius equation:
- Apre: Pre-exponential frequency factor ($10^6\text{ L/mol}\cdot\text{s}$)
- Ea: Activation Energy ($45,000\text{ J/mol}$)
- R: Universal Gas Constant ($8.314\text{ J/mol}\cdot\text{K}$)
3. Heterogeneous Surface Area Effect
Because Reactant A is a solid phase and Reactant B is aqueous, collisions can only occur at the solid-liquid interface.
Subdividing solid A into fine powders or nanoparticles dramatically increases the exposed surface area per unit mass, multiplying effective collisions and scaling $k_{\text{eff}}$ directly.
4. Second-Order Half-Life & Max Yield
Unlike 1st order reactions, the half-life of a 2nd order reaction depends inversely on the initial concentration:
The theoretical maximum yield of product C as $t \rightarrow \infty$ is limited by the initial moles of reactant B: nC,max = (VB · [B]0) / 2.