Former research Interests:
Here are some materials about the
work I carried out at the
University of Leeds (England)
under the supervision of
Prof Geoff R.
Davies. This work was mainly about relaxations in Poly Vinyl Methyl
Ether. It is the sequel of a work undertaken by a former PhD
student Dr Cherdsak Saellee in the IRC laboratory at the University of
Leeds. Chersak studied the rotations of the methyl group in PVME. My
work was essentially the rotation of the methoxy group in PVME. My
thesis also contains a small section about relaxations in Polyethene.
Abstract and Poster:
My
PhD
abstract
Here is a
poster, I presented to the ccp5
conference
in September 2004. It does not contain the most up to date results, but
the essential is there. The thesis contains more recent results.
Thesis Outline
0. Front Page, Content, Abstract,...(
preprint)
1. Introduction (
preprint)
2. PVME Models and Simulation
(
preprint)
3. Structure, Symmetry and Energetics of
Simulated PVME (
preprint)
4. QS:
Static Analysis (
preprint)
5. QS:
Dynamic Analysis (
preprint)
6. Umbrella
Sampling Method (
preprint)
7. General Site Model applied to a Small Polyethylene Chain
(
preprint)
8. Conclusion (
preprint)
Publications
Two papers based to my thesis and Chersak's are in preparation and
should be published soon:
Simulation of Glassy State
Relaxations in Polymer 1: Methyl Group and Methoxy Group Rotation in
PVME, Static Analysis
Simulation of Glassy State
Relaxations in Polymer 2: Methoxy Group Rotation in PVME, Dynamic
Analysis
Other interesting publications related to the subject published by the
same group:
Saelee C. PhD Thesis, Modelling of
Methyl Group Rotation in Poly(Vinyl methyl ether), University of Leeds,
England
Saelee et al., A Molecular Dynamic Study
of Methyl Group Rotation in Poly(vinyl methyl ether). Macromolecules,
2000, vol. 33, p. 2258-2265