Mathematics Research Institute

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Dynamic modelling of morphology development in multiphase latex particle

Elena Akhmatskaya (BCAM - Basque Center for Applied Mathematics)

Fecha: 24/01/2013 12:00
Lugar: Sala de Grados I (planta baja) de la Facultad de Ciencias
Grupo: GIR Análisis Numérico y Estocástico, Optimización Dinámica y Aplicaciones (ANEODA)

As the result of performance superiority of multiphase particles over particles with uniform compositions, assembling the composite (multiphase) latex particles with well-defined morphology is of great practical interest in many important applications, such as, coatings, additives for constructing materials, cosmetics, diagnostic tests and drug delivery. Performance of multiphase latex particles greatly depends on particle morphology. The synthesis of new morphologies is time and resources consuming as it largely relies on heuristic knowledge. Currently no general methodology describing the dynamic development of morphologies for multiphase waterborne systems is available. We present the novel modelling approach for prediction of dynamics of the particle morphology development in the composite waterborne systems including the systems with in situ formation of graft copolymer. The proposed model is based on stochastic dynamics (SD). It accounts for the effect of phase compatibility and internal viscosity of the particles and, for the first time, is able to predict the morphologies of interesting new materials, such as polymer-polymer, polymer-polymer-inorganic complex hybrids. The predictions closely reproduce experimental results. The advantages of using the Metropolis adjusted SD modifications in such a model will be discussed.