شماره ركورد كنفرانس :
5048
عنوان مقاله :
Studying Polymer Miscibility by Dissipative Particle Dynamics
Author/Authors :
Fatemeh ،Sabzi Technische Universität Darmstadt - Petersenstrasse 20, D-64287 Darmstadt, Germany , Sudip ،Roy Technische Universität Darmstadt - Petersenstrasse 20, D-64287 Darmstadt, Germany , Florian ،Müller-Plathe Technische Universität Darmstadt - Petersenstrasse 20, D-64287 Darmstadt, Germany
كليدواژه :
Polymer miscibility , Dissipative Particle Dynamics , Cubic spline interaction potential , Homo polymer blends
عنوان كنفرانس :
ششمين كنگره بين المللي مهندسي شيمي
چكيده لاتين :
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.
