dorsal/arxiv
View SchemaSteady-State Properties of Single-File Systems with Conversion
| Authors | S. V. Nedea, A. P. J. Jansen, J. J. Lukkien, P. A. J. Hilbers |
|---|---|
| Categories | |
| ArXiv ID | physics/0201070 |
| URL | https://arxiv.org/abs/physics/0201070 |
| DOI | 10.1103/PhysRevE.65.066701 |
Abstract
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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"abstract": "We have used Monte-Carlo methods and analytical techniques to investigate the\ninfluence of the characteristic parameters, such as pipe length, diffusion,\nadsorption, desorption and reaction rate constants on the steady-state\nproperties of Single-File Systems with a reaction. We looked at cases when all\nthe sites are reactive and when only some of them are reactive. Comparisons\nbetween Mean-Field predictions and Monte-Carlo simulations for the occupancy\nprofiles and reactivity are made. Substantial differences between Mean-Field\nand the simulations are found when rates of diffusion are high. Mean-Field\nresults only include Single-File behavior by changing the diffusion rate\nconstant, but it effectively allows passing of particles. Reactivity converges\nto a limit value if more reactive sites are added: sites in the middle of the\nsystem have little or no effect on the kinetics. Occupancy profiles show\napproximately exponential behavior from the ends to the middle of the system.",
"arxiv_id": "physics/0201070",
"authors": [
"S. V. Nedea",
"A. P. J. Jansen",
"J. J. Lukkien",
"P. A. J. Hilbers"
],
"categories": [
"physics.chem-ph",
"physics.comp-ph"
],
"doi": "10.1103/PhysRevE.65.066701",
"title": "Steady-State Properties of Single-File Systems with Conversion",
"url": "https://arxiv.org/abs/physics/0201070"
},
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