Three-dimensional Simulation Veri®es Theoretical Asymptotics for Reversible Binding

We succeeded in simulating the many-particle A ‡ B 6 C reaction in three-dimensions to suciently long-times, revealing the ultimate asymptotic approach to equilibrium. The deviation from equilibrium is a t À3=2 power-law, with a concentration-dependent prefactor which agrees quantitatively with the theoretical prediction. The logarithmic derivative of the deviation from equilibrium undergoes through a maximum and minimum before converging to 3/2. We conjecture that this behavior could signal the onset and termination of the local concentration relaxation. Ó 2001 Elsevier Science B.V. All rights reserved.