How does it work?
Reaction rate
The reaction rate tells you how fast reactants are used up or products appear — e.g. in mol/(L·s) or in mL of gas per second. It can be measured in many ways: by gas volume, or by changes in mass, color or conductivity.
v = − Δ[A]Δt = k · [A]m · [B]n m, n — reaction orders, found by experiment
Collisions and activation energy
Only molecules that collide with an energy of at least Ea react (and usually only in the right orientation). At the top of the “hill” an unstable activated complex forms — a transition state in which the old bonds are already breaking and the new ones are only forming. The fraction of molecules with energy above Ea rises very steeply with temperature:
k = A · e−Ea/(RT) Arrhenius equation; R = 8.314 J/(mol·K), T in kelvins
For Ea = 50 kJ/mol, warming from 25 to 35 °C speeds the reaction up about 1.9 times. Hence the school “van ’t Hoff rule”: 2–4 times for every 10 °C — only an approximation.
Catalysts and enzymes
A catalyst opens a different reaction pathway with a lower activation energy. It isn't used up and changes neither ΔH nor the equilibrium constant — it speeds up the forward and reverse reactions equally. Enzymes are biological catalysts (usually proteins): extremely fast and selective, but sensitive to temperature and pH.
Surface area, concentration, reaction order
When a solid reacts with a liquid or gas, only the molecules on the surface react — grinding it up multiplies the surface area many times. Higher concentration means more collisions per second. In a first-order reaction the concentration falls exponentially and has a constant half-life:
[A] = [A]0 · e−kt t½ = ln 2k ≈ 0.693k
Chemical equilibrium
In a reversible reaction reactants form products, and products turn back into reactants. When the two rates become equal, the concentrations stop changing even though the molecules keep reacting — this is dynamic equilibrium. For A ⇌ B with rates k₁[A] and k₂[B]:
k₁[A] = k₂[B] ⇒ K = [B][A] = k₁k₂ for 2 NO₂ ⇌ N₂O₄: Kp = p(N₂O₄)p(NO₂)²
Le Chatelier's principle: a system at equilibrium that is disturbed shifts so as to partly counteract the change. Heating favors the endothermic direction, compression favors the side with fewer moles of gas, and adding a reactant favors forming products.
Simplifications: the simulations are two-dimensional and slowed down, the energies in the molecule box are rescaled, and the beaker race and rust are simple models with approximate numbers.