Brownian dynamics simulations of reversible reactions in one dimension

Arieh L. Edelstein, Noam Agmon
1993 Journal of Chemical Physics  
A Brownian dynamics algorithm is developed for simulating many-body effects in one dimensional competitive reversible binding of otherwise noninteracting particles. It allows time steps hundreds of times larger than in conventional lattice random walks and enables us to simulate systems which are sufficiently large to approach the thermodynamic limit. The asymptotic long-time behavior is compared with mean-field predictions. 5396
doi:10.1063/1.465983 fatcat:jlwuqn6cjbehvjswzdsdgos2xu