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Molecular Simulation of Ionic Liquids: Complex Dynamics and Structure

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Algebraic Modeling of Topological and Computational Structures and Applications (AlModTopCom 2015)

Part of the book series: Springer Proceedings in Mathematics & Statistics ((PROMS,volume 219))

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Abstract

Ionic Liquids (ILs) are organic salts with melting temperatures below \({100^\circ }\) C. They are characterized by an exceptional combination of properties that renders them very good candidates for use in many cutting-edge technological applications. The organic and simultaneously ionic nature of the constitutive ions results in diverse interactions that directly affect the microscopic structure and the dynamical behaviour of ILs. Molecular simulation methods using optimized force fields are applied for the study of the complex dynamics and the spatial organization in ILs.

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Authors and Affiliations

  1. Molecular Thermodynamics and Modelling of Materials Laboratory, Institute of Nanoscience and Nanotechnology, National Center for Scientific Research “Demokritos”, 153 10, Aghia Paraskevi Attikis, Greece

    Niki Vergadou

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  1. Niki Vergadou
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Correspondence to Niki Vergadou .

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Editors and Affiliations

  1. Department of Applied Mathematics, National Technical University of Athens, Athens, Greece

    Sofia Lambropoulou

  2. School of Chemical Engineering, National Technical University of Athens, Athens, Greece

    Doros Theodorou

  3. Department of Applied Mathematics, National Technical University of Athens, Athens, Greece

    Petros Stefaneas

  4. Department of Mathematics, University of Illinois at Chicago, Chicago, Illinois, USA

    Louis H. Kauffman

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Vergadou, N. (2017). Molecular Simulation of Ionic Liquids: Complex Dynamics and Structure. In: Lambropoulou, S., Theodorou, D., Stefaneas, P., Kauffman, L. (eds) Algebraic Modeling of Topological and Computational Structures and Applications. AlModTopCom 2015. Springer Proceedings in Mathematics & Statistics, vol 219. Springer, Cham. https://doi.org/10.1007/978-3-319-68103-0_14

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