Year 2016

• Temperature-dependent structure-property modeling of viscosity for ionic liquids

  Publication

  • M. Barycki
  • A. Sosnowska
  • A. Gajewicz
  • M. Bobrowski
  • D. Wileńska
  • P. Skurski
  • A. Giełdoń
  • C. Czaplewski
  • S. Uhl
  • E. Laux... and 4 others

  - FLUID PHASE EQUILIBRIA - Year 2016

  In this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...

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• Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems

  Publication

  • A. Sosnowska
  • M. Barycki
  • A. Gajewicz
  • M. Bobrowski
  • S. Freza
  • P. Skurski
  • S. Uhl
  • E. Laux
  • T. Journot
  • L. Jeandupeux... and 2 others

  - CHEMPHYSCHEM - Year 2016

  This work focuses on determining the influence of both ionic liquid (IL) type and redox couple concentration on Seebeck coefficient values of such a system. The quantitative structure­ property relationship (QSPR) and read-across techniques are proposed as methods to identify structural features of ILs (mixed with LiI/I2 redox couple), which have the most influence on the Seebeck coefficient (Se) values of the system. ILs consisting...

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