Molecular Simulation and Modelling of Soft Matter
The core of our research is to investigate the physicochemical behaviour of Soft Matter systems with focus on their ability to self-assemble into more complex supramolecular mesophases. To this end, we apply molecular simulation to disclose, at the single-particle level, the physics driving equilibrium and dynamical properties of a given system, and hence to predict and control its macroscopic response. Soft Matter systems, such as polymers, liquid crystals and emulsions, are easily deformable by external stresses, fields, or thermal fluctuations, and their aggregation behaviour results to be dramatically affected. Due to the widespread importance of soft materials in fundamental issues as well as in many technological applications, it is crucial to understand how their constituting building blocks (molecules/colloids) interact and respond to external stimuli.
Research
Colloidal Liquid Crystals
We are investigating the phase
behaviour and dynamics of colloidal suspensions of anisotropic particles, with special attention to cuboids, whose biaxial geometry would, in principle, favour the formation of biaxial nematic liquid crystal phases. Nevertheless, our findings show that monodisperse systems are not able to stabilise a biaxial nematic phase. Our results indicate that only by applying an external field or introducing a significant size dispersity, stable biaxial nematic phases can be eventually observed.
Self-assembly of block-copolymers
Block copolymers are amphiphilic molecules, able to self-assemble and form micelles and mesophases in a solvent. We are studying the self-assembly of methacrylate-based copolymers, PEO-b-PBMA, which are used in the templated synthesis of hierarchical porous solids. To this end, we have first built a coarse-grained model that has been then used to map the phase diagram of ternary water/THF/copolymer systems.
Polymer Nanocomposites
Polymer nanocomposites are hybrid materials made of a host polymer matrix incorporating guest nanoparticles. We have studied the impact of incorporating polydisperse nanoparticles (NPs) into a polymer melt and investigated the resulting effects on the microscopic and macroscopic response of the material.
Dynamic Monte Carlo
We have developed a theoretical framework that allows to employ Monte Carlo simulations to mimic the dynamics of colloidal suspensions. Our algorithm works very well with equilibrium and out-of-equilibrium colloidal suspensions and reproduces Brownian Dynamics results with excellent precision.
Microrheology of Colloidal Suspensions
We are applying our Dynamic Monte Carlo algorithm to study the dynamics of tracers in dense colloidal suspensions, including liquid crystals. This technique, known as microrheology, is very powerful to determine the viscoelastic behaviour of soft materials. This study is a collaboration with Prof Puertas (University of Almeria).
Sponsors
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Contact Us
Thanks for your interest in our research. Get in touch with us for any questions or comments regarding our work and publications. We’d love to hear from you.
Department of Applied Physics, Faculty of Sciences, University of Granada
Avenida Fuente Nueva s/n, 18001 Granada, Spain
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