Studying Polymer Miscibility by Dissipative Particle Dynamics

Dissipative particle dynamics (DPD) simulations has been used to investigate the phase behavior of binary homo polymer blends. In these simulations, polynomial spline functions with positive, short-range repulsive part and negative long range attractive part has been used to model the conservative force of DPD. Using these potentials with and without attractive potential we have calculated the mixing enthalpies for the above mentioned systems. Thermodynamic integration has been also performed to evaluate the total free energy change as a function of different chain lengths, interaction parameters and temperature.

کلیدواژه ها:

Polymer miscibility ، Dissipative Particle Dynamics ، Cubic spline interaction potential ، Homo polymer blends