SIMULATION OF FIRST-ORDER CHEMICAL-KINETICS USING CELLULAR-AUTOMATA

Cellular automata are dynamical systems composed of arrays of cells th at change their states in a discrete manner following local, but globa lly applied, rules. It is shown that a two-dimensional asynchronous ce llular automaton simulates both the deterministic and the stochastic f eatures of first-order chemical kinetic processes in an especially sim ple manner, avoiding the chore of solving either the deterministic cou pled differential rate equations or the stochastic master equation. Pr ocesses illustrated include first-order decay, opposing first-order re actions, consecutive reactions. the steady-slate approximation, a rate -limiting step, pre-equilibrium, and parallel competing reactions. The deterministic solutions are seen to emerge as statistical averages in the limit of large cell numbers. Some additional stochastic and stati stical features of the solutions are examined.