Modeling the equilibrium morphology of nanodroplets in the presence of nanofillers

• Published in: Journal of colloid and interface science Vol. 352; no. 2; pp. 359 - 365
• Main Authors: Reyes, Yuri, Paulis, Maria, Leiza, José R.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier Inc 15.12.2010; Elsevier
• Subjects: Chemistry; Colloidal state and disperse state; Computer simulation; Encapsulation; Exact sciences and technology; General and physical chemistry; Hybrid nanoparticles; Miniemulsion polymerization; Monomers; Morphology; Nanocomposites; Nanomaterials; Nanostructure; Particle morphology; Phases; Physical and chemical studies. Granulometry. Electrokinetic phenomena; Encapsulation; Miniemulsion polymerization; Hybrid nanoparticles; Particle morphology; Water; Clay; Monte Carlo method; Shape; Laponite; Nanoparticle; Carbon nanotubes; Polymerization; Polymer; Equilibrium; Modeling; Dispersion; Design; Particle; Simulation; Morphology; Nanocomposite; Monomer; Disk; Phase equilibrium
• ISSN: 0021-9797; 1095-7103
• DOI: 10.1016/j.jcis.2010.08.071

Equilibrium morphology of hybrid monomer nanodroplet in the presence of nanofillers with different characteristics. [Display omitted] ► Morphology of hybrid polymer particles is key to control application properties. ► Particle morphology depends on the morphology of the hybrid monomer nanodroplets. ► Morphology maps for hybrid monomer/nanofiller nanodroplets are predicted by simulation. ► Morphology maps for hybrid monomer/nanofiller nanodroplets have been built for nanofillers of different size and shape. ► Spherical nanofillers can be encapsulated easier than high aspect ratio nanofillers. Waterborne polymer nanocomposites containing carbon nanotubes, clay platelets, laponite disks and other spherical/nonspherical nanofillers have been the focus of many recent investigations. The miniemulsion polymerization has proved to be a powerful technique to create new hybrid waterborne nanocomposites with enhanced properties. It is necessary to understand how the nanofiller shape/size and its compatibility with the phases affects the equilibrium morphology of the polymer nanoparticle to control the morphology and the properties of the resulting polymeric dispersions. With the aid of Monte Carlo simulations, the equilibrium morphology of hybrid monomer nanodroplets in the presence of nanofillers with different characteristics was obtained. A series of morphology maps depending on the nanofiller compatibility with the monomer and water phases and its shape have been obtained. These new maps may help to design and determine the required conditions to synthesize innovative waterborne polymer nanocomposites with specific morphologies through miniemulsion polymerization.