Steady-State Properties of Single-File Systems with Conversion

Details Steady-State Properties of Single-File Systems with Conversion Steady-State Properties of Single-File Systems with Conversion

2002-01-31

arxiv.org/abs/physics/0201070v1

Physics

Chemical Physics

15 pages, 20 figures

Scientific paper

10.1103/PhysRevE.65.066701

We have used Monte-Carlo methods and analytical techniques to investigate the influence of the characteristic parameters, such as pipe length, diffusion, adsorption, desorption and reaction rate constants on the steady-state properties of Single-File Systems with a reaction. We looked at cases when all the sites are reactive and when only some of them are reactive. Comparisons between Mean-Field predictions and Monte-Carlo simulations for the occupancy profiles and reactivity are made. Substantial differences between Mean-Field and the simulations are found when rates of diffusion are high. Mean-Field results only include Single-File behavior by changing the diffusion rate constant, but it effectively allows passing of particles. Reactivity converges to a limit value if more reactive sites are added: sites in the middle of the system have little or no effect on the kinetics. Occupancy profiles show approximately exponential behavior from the ends to the middle of the system.

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