Simulation of Polymer Melts
(M. Brandau, Prof. S. Trimper)
Polymers play an important role in industry, science and in everyday life. Therefore, a better understanding of the properties of those molecular chain networks is of interest.
One possible approach for the study of polymer melts is the application of Monte-Carlo simulations. The result of such a MC- simulation is depicted in the figure below. As initial state a configuration is chosen that corresponds to a strong non-equilibrium state. In the present example the single chains are arranged as parallel rods. After a vast number of simulation steps the final state is reached. This configuration is thought to represent the ground state. During the simulation arbitrary movements of the molecular chains are allowed except chain crossing (self avoidance).
polymer melt