Monte Carlo simulation of irreversible polymer adsorption: Single chains

Kariofilis Konstadinidis; Stephen Prager; Matthew Tirrell

doi:10.1063/1.463497

Monte Carlo simulation of irreversible polymer adsorption: Single chains

Kariofilis Konstadinidis, Stephen Prager, Matthew Tirrell

Chemical Engineering and Materials Science

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35 Scopus citations

Abstract

We are reporting results of dynamic Monte Carlo simulations on the irreversible adsorption of single polymer chains. We find that the irreversibility of the surface-segment interaction results in trapping of segments exclusively in trains and loops but no tails. Such nonequilibrium effects are also observed in reversible adsorption simulations for large adsorption energies per segment (>2kT).

Original language	English (US)
Pages (from-to)	7777-7780
Number of pages	4
Journal	The Journal of chemical physics
Volume	97
Issue number	10
DOIs	https://doi.org/10.1063/1.463497
State	Published - 1992

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title = "Monte Carlo simulation of irreversible polymer adsorption: Single chains",

abstract = "We are reporting results of dynamic Monte Carlo simulations on the irreversible adsorption of single polymer chains. We find that the irreversibility of the surface-segment interaction results in trapping of segments exclusively in trains and loops but no tails. Such nonequilibrium effects are also observed in reversible adsorption simulations for large adsorption energies per segment (>2kT).",

author = "Kariofilis Konstadinidis and Stephen Prager and Matthew Tirrell",

year = "1992",

doi = "10.1063/1.463497",

language = "English (US)",

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journal = "The Journal of chemical physics",

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AU - Prager, Stephen

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N2 - We are reporting results of dynamic Monte Carlo simulations on the irreversible adsorption of single polymer chains. We find that the irreversibility of the surface-segment interaction results in trapping of segments exclusively in trains and loops but no tails. Such nonequilibrium effects are also observed in reversible adsorption simulations for large adsorption energies per segment (>2kT).

AB - We are reporting results of dynamic Monte Carlo simulations on the irreversible adsorption of single polymer chains. We find that the irreversibility of the surface-segment interaction results in trapping of segments exclusively in trains and loops but no tails. Such nonequilibrium effects are also observed in reversible adsorption simulations for large adsorption energies per segment (>2kT).

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DO - 10.1063/1.463497

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JO - The Journal of chemical physics

JF - The Journal of chemical physics

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Monte Carlo simulation of irreversible polymer adsorption: Single chains

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