Physics of Complex Liquids


University of Huelva

Department of Applied Physics

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The main interest of the Physics of Complex Liquids group is the use, extension, development and application of molecular modelling techniques to understand the thermodynamic behaviour, including phase equilibria and interfacial properties, of complex systems, such as liquid crystals, associating fluids, chain-like molecules, amphiphilic substances and polymers. The common theme of research is the understanding of complex systems, at a molecular level, using molecular modelling techniques. These methods include the use of statistical mechanical theories, such as perturbation theory, density functional theory (DFT) or the SAFT formalims, and molecular simulation methods, such as Monte Carlo and molecular dynamic tehcniques.

The group has already demonstrated how the molecular modelling techniques provide state-of-the-art thermodynamic approaches of complex multicomponent mixtures of industrial interest. Exmaples of such methods are clearly shown in the literature, including the development and application of the Soft-SAFT equation of state, the study of the phase behaviour of the Gay-Berne liquid crystal model, the extension of the SAFT formalism to deal with interfaces or SAFT-DFT, the global view of the phase beahviour of carbon dioxide mixtures and the extension of the SAFT formalism to deal with solid phases of chain-like molecules.

We are seeking to make these approaches more accesible to the Chemical Engineering communities both in industry and academia. An important goal is the development of closer links with researchers in the area of chemical processes engineering and traditional chemical engineering. It is felt that the EU may well fellow the US model in the future with more use of statistical mechanics and molecular modelling techniques in chemical ingeneering; a treatment of this is of special emphasis given the links between physical sciences and chemical engineering in the European Research Area. In fact, molecular modelling will play an increasingly important industrial role in the future as outlined in the US chemical industries' Vision 2020 initiative (see also the New Chemical Sciences and Engineering Technology, one of the four priority areas of R&D in the Vision 2020) . The goal of the chemical industry in 2020 is to have the ability to desing computationally, from the molecule up, economically lucrative and environmentally benign chemical products, as well as the processes to manufacture them. Molecular modelling methods will clearly have a major role in reaching these goals.

For further details on the reserach lines and selected topics of the group click Reserach lines and Selected topics.


Introduction Research lines Members of the group Publications Collaborations Teaching Home