Activities per year
Abstract
Atomistic molecular dynamics simulations of a chemically realistic model of atactic short-chain polystyrene between gold surfaces (111) and Positron Annihilation Lifetime Spectroscopy experiments on similar polystyrene thin films on gold were performed. Results from both approaches show that the free volume voids in the film have a slightly smaller average size than in bulk polystyrene. In agreement to that the existence of an interphase of higher density at the polymer-solid substrate interface is shown both by the simulation as well as in the experiment. The average shape of the voids is similar in the bulk and the film.
Original language | English |
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Pages (from-to) | 8459-8465 |
Number of pages | 7 |
Journal | Macromolecules |
Volume | 47 |
Issue number | 23 |
DOIs | |
Publication status | Published - 2014 |
Keywords
- molecular dynamics simulations
- gold surfaces
- polymers
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Activities
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Multiscale modelling of advanced materials and interfacial phenomena
Johnston, K. (Speaker)
8 Dec 2021Activity: Talk or presentation types › Invited talk
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Multiscale modelling of advanced materials and interfacial phenomena
Johnston, K. (Speaker)
9 Dec 2021Activity: Talk or presentation types › Invited talk
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ScotCHEM Polymer and Soft Materials Conference
Johnston, K. (Speaker)
1 Jul 2020Activity: Talk or presentation types › Invited talk