Computational polymer dynamics via DL_POLY |
| |
| Authors: | D B Adolf S N Butler P M Drew S Hotston K Karatasos |
| |
| Institution: | 1. School of Physics and Astronomy, University of Leeds , Leeds, LS2 9JT, UK d.b.adolf@Leeds.ac.uk;3. School of Physics and Astronomy, University of Leeds , Leeds, LS2 9JT, UK;4. Section of Chemistry, Physical Chemistry Lab, Department of Chemical Engineering , University of Thessaloniki , PO Box 420, 54124, Thessaloniki, Greece |
| |
| Abstract: | A review is presented of recent work in the group utilising the DL_POLY molecular dynamics package. Simulations have been performed across several areas of polymer physics including the dynamics of polyethylene as a function of density and chain length, the rheology of trifunctional dendrimers, and penetrant diffusion with a macromolecular matrix. The methodology and conclusions of these investigations are reviewed. |
| |
| Keywords: | DL_POLY Polymers Simulation Dynamics |
|
|
