Transient behavior in single-file systems

• Published in: Physical review. E, Statistical, nonlinear, and soft matter physics Vol. 66; no. 6 Pt 2; p. 066705
• Main Authors: Nedea, S V, Jansen, A P J, Lukkien, J J, Hilbers, P A J
• Format: Journal Article
• Language: English
• Published: United States 01.12.2002
• ISSN: 1539-3755
• DOI: 10.1103/PhysRevE.66.066705

We have used Monte Carlo methods and analytical techniques to investigate the influence of the characteristics, such as pipe length, diffusion, adsorption, desorption, and reaction rates on the transient properties of single-file systems. The transient or the relaxation regime is the period in which the system is evolving to equilibrium. We have studied the system when all the sites are reactive and also when only some of them are reactive. Comparisons between mean-field predictions, cluster approximation predictions, and Monte Carlo simulations for the relaxation time of the system are shown. We outline the cases where the mean-field analysis gives good results compared to dynamic Monte Carlo results. For some specific cases we can analytically derive the relaxation time. Occupancy profiles for different distributions of the sites both for the mean field and simulations are compared. Different results for slow and fast reaction systems and different distributions of reactive sites are discussed.