Macromolecular Theory and Simulations · 2000 · 19 citations · 0 references
Natural SciencesChemical EngineeringPhysicsFluid DynamicsPolymer ChemistryPolymer EngineeringPhase EquilibriaPhase SeparationPolymer Phase BehaviorPolymer PhysicsPolymer ThermodynamicsTransport In PolymersDissipative DynamicsDissipative Particle DynamicsParticle DynamicsPhase Separation MechanismsPolymer Phase SeparationPolymer Phase Separation KineticsPolymer-solvent Interactions
Dissipative Particle Dynamics (DPD) can be used to simulate the liquid-liquid phase separation behaviour of polymer-solvent systems. However, the DPD model fails to predict the lower critical solution temperature (LCST) behaviour common to many of these polymer-solvent systems. In this article, a method analogous to the extended Flory-Huggins theory is presented to overcome this shortcoming.