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Amir Niazi, M.Sc.

Graduate Student/Thermodynamics of Dense Electrolytic Media

MSc in Solid State Physics, University of Tabriz (2008)
BSc in Physics, Azad University of Tabriz (2005)

Location: Schinkelstrasse 2, Room 431b
Phone: +49 (0)241 80-99139

Recently, there has been a large push to find an energy source that is both environmentally friendly and renewable. One such route is the production of tailor-made biofuels from waste biomass that will not interfere with food supplies. In this conversion process, cellulose is solvated and extracted from plant materials, broken down into glucose, which in turn is converted to various intermediary chemicals and ultimately into biofuels. We are interested in fundamental understanding of the transport and structural properties of densely charged mixtures (including high-ionic-strength aqueous solutions of salts, acids and ionic liquids) to guide the basic design of full-scale bio-refineries.

As a first step, using high-performance computing (HPC) techniques and classical molecular dynamics (MD) simulations, the stability of salt solutions in different concentrations was studied by calculating the radial distribution functions. Subsequently MD simulations of pure ionic liquids (ILs) and mixtures of IL-water molecules were performed at different water concentrations. Specifically, three imidazolium-based IL/water mixtures at various water mole fractions have been studied: [BMIM]Cl, [EMIM][Ac] and [DMIM][DMP], all mixed in structural water molecules. The goal was to elucidate the effect of water content on the structure and dynamics of these systems. This approach offers an efficient path to study the effect of nanoscale mixing on the behavior of ionic liquids which leads to improve the process design for Tailor-Made Fuels form Biomass.
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Snapshot of the simulation of ionic liquid [BMIM][Cl] surrounded by water molecules. This IL-water mixture contains 80% water molar fraction.

A.N. Niazi, B. Rabideau and A.E. Ismail. Effects of Water Concentration on the Structural and Diffusion Properties of Imidazolium-Based Ionic Liquid/Water Mixtures. J. Phys. Chem. B. DOI: 10.1021/jp3080496 (2013).