Adsorption and spreading of polymers at plane interfaces: theory and molecular dynamics simulations
| Autor: | J. De Coninck, M.C.P. van Eijk, S. Rovillard, M.A. Cohen Stuart |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 1998 |
| Předmět: |
Materials science
Laboratorium voor Fysische chemie en Kolloïdkunde Kinetics Thermodynamics Non-equilibrium thermodynamics Chemical kinetics Molecular dynamics Adsorption etc.) Cylinder Physics::Chemical Physics Physical Chemistry and Colloid Science 36.20.Ey Conformation (statistics and dynamics) chemistry.chemical_classification Condensation Polymer Condensed Matter Physics 68.10.Jy Kinetics (evaporation adsorption condensation catlysis etc.) Electronic Optical and Magnetic Materials Condensed Matter::Soft Condensed Matter condensation chemistry adsorption 68.45.Da Adsorption and desorption kinetics evaporation and condensation catlysis 68.10.Jy Kinetics (evaporation |
| Zdroj: | European physical journal b, 1, 233-244 European physical journal b 1 (1998) |
| ISSN: | 1434-6028 |
| Popis: | Nonequilibrium processes play a key role in the adsorption kinetics of macromolecules. It is expected that the competition between transport of polymer towards an interface and its subsequent spreading has a significant influence on the adsorbed amount. An increase of the transport rate can lead to an increase of the adsorbed amount, especially when the polymer has too little time to spread at the interface. In this study we present both molecular dynamics simulations and analytical calculations to describe some aspects of the adsorption kinetics. From MD simulations on a poly(ethylene oxide) chain in vacuum near a graphite surface, we conclude that the spreading process can, in first approximation, be described by either a simple exponential function or by first-order reaction kinetics. Combining these spreading models with the transport equations for two different geometries (stagnation-point flow and overflowing cylinder) we are able to derive analytical equations for the adsorption kinetics of polymers at solid-liquid and at liquid-fluid interfaces. |
| Databáze: | OpenAIRE |
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