Journal of Applied Polymer Science · 1995 · 55 citations · 19 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryComputational Materials SciencePhysical ChemistryPolymer MorphologyPolymer PhysicsPolymer SimulationPolymer SurfacesPolymer ThermodynamicsSurface MorphologyEquilibriumEquilibrium CalculationsInterfacial Free EnergyMorphology DevelopmentParticle Morphology AnalysisParticle Surface MorphologyPolymer Interface SimulationThermodynamic Equilibrium
Abstract A new algorithm is presented for the prediction of equilibrium morphology in latex particles. Thermodynamic equilibrium calculations of the interfacial free energies associated with a large array of possible morphologies serve to create a continuous free‐energy surface upon which the preferred morphology is located. When the computations are performed on a 486DX33 PC, the calculations are essentially instantaneous. The graphical output can be refreshed on the monitor screen in less than 2 s. The algorithm is applied to simulate the conversion‐dependent morphology for several latex systems composed of polystyrene and poly(methyl methacrylate) and two very different surfactants. © 1995 John Wiley & Sons, Inc.
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