Abstract
We succeeded in simulating the many-particle A+B↔C reaction in three-dimensions to sufficiently long-times, revealing the ultimate asymptotic approach to equilibrium. The deviation from equilibrium is a t-3/2 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.
| Original language | English |
|---|---|
| Pages (from-to) | 151-156 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 340 |
| Issue number | 1-2 |
| DOIs | |
| State | Published - 25 May 2001 |
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