https://doi.org/10.1140/epje/i2012-12099-4
Regular Article
Desolvation of macromolecules by ultrafast heating: A molecular-dynamics study
Physics Department and Research Center OPTIMAS, University Kaiserslautern, Erwin-Schrödinger-Straße, D-67663, Kaiserslautern, Germany
* e-mail: urbassek@rhrk.uni-kl.de
Received:
4
July
2012
Revised:
6
September
2012
Accepted:
10
September
2012
Published online:
11
October
2012
Using molecular-dynamics simulation, we investigate the consequences of ultrafast laser-induced heating of a water droplet containing a solvated polymer, using the example of a 1 ps laser irradiation. We study the isolation process and the properties of the isolated polymer as a function of the polymer size, the droplet size, and the temperature to which the droplet is heated. We find that the isolation process occurs on a time scale of a few ten ps. The final polymer temperature increases linearly with the heating. Polymers embedded in larger droplets acquire higher temperatures, while larger polymers are less heated. In spite of the ultrafast heating, the isolated polymer remains in its coiled conformation.
Key words: Soft Matter: Polymers and Polyelectrolytes
© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2012
