Applications & Mathematical Modeling

chemical kinetics

Mix two chemicals and they react — but how FAST? Some reactions finish in a flash, others creep along for years. Chemical kinetics is the study of these speeds, turned into differential equations: it tracks how the concentration of each substance changes moment by moment as reactants are consumed and products built up. It is the mathematical heart of why a fire spreads, how a drug breaks down in your body, and how a factory tunes a reactor.

The core idea is the law of mass action: the rate of a reaction is proportional to the product of the concentrations of the reacting substances. For a simple reaction A goes to B, the rate is proportional to the amount of A present, giving A' = -k A and B' = +k A, where k is the rate constant. This is exponential decay — A falls off as e^(-kt), and you recognize it as the same equation as radioactive decay. For A + B going to product, the rate is proportional to the PRODUCT A times B, giving A' = -k A B, a coupled nonlinear system.

The order of the reaction — how the rate depends on concentrations — controls the whole behaviour. A first-order reaction (rate proportional to one concentration) has a fixed half-life, just like radioactivity. A second-order reaction (rate proportional to a product, or to a concentration squared) slows down more sharply as reactants run low. Chains of reactions, A goes to B goes to C, give a system of coupled equations in which an intermediate B first builds up and then decays — exactly the pattern of a drug's active metabolite, or a pollutant passing through a treatment plant.

The honest caveat is that the rate constant k hides a great deal. It depends strongly on temperature (hotter usually means faster, via the Arrhenius law), and the simple rate laws assume a well-stirred mixture where every molecule meets every other freely. Real reactions in living cells or unstirred vessels can deviate, and the 'mechanism' (the true step-by-step path) may be far more intricate than the overall equation suggests. The rate equations are a powerful, but idealized, accounting of molecular bookkeeping.

For a first-order reaction A goes to B with k = 0.2 per minute, A' = -0.2 A, so A decays as A0 times e^(-0.2 t) and halves every (ln 2)/0.2 ≈ 3.5 minutes — a constant half-life. Meanwhile B grows toward the original amount of A, B(t) = A0 (1 - e^(-0.2 t)), mirroring A's decline.

A first-order reaction is exponential decay — same equation as radioactive half-life.

The rate constant k is not truly constant: it climbs steeply with temperature (the Arrhenius law). Quoting a single k without naming the temperature, and assuming a perfectly stirred mixture, are simplifications that real reactions can violate.

Also called
reaction rate modelrate equations反應速率模型速率方程