Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Novel class of chiral ionic liquids with menthyl substituent - synthesis, characterisation and computer modelling of surface activity

2011/01/B/ST5/06659

Keywords:

molecular dynamics force field bilayer surfactant

Descriptors:

  • ST4_15: Colloid chemistry
  • ST5_7: Composites, organic-inorganic hybrid materials, etc.

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Politechnika Wrocławska, Wydział Chemiczny

woj. dolnośląskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Borys Szefczyk 

Number of co-investigators in the project: 4

Call: OPUS 1 - announced on 2011-03-15

Amount awarded: 204 990 PLN

Project start date (Y-m-d): 2011-12-01

Project end date (Y-m-d): 2014-11-30

Project duration:: 36 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Pompa membranowa (membranowa pompa próżniowa z naczyniem Dewara) (10 000 PLN)
  2. Stacja robocza (serwer wieloprocesorowy Parser 2xE52640) (20 000 PLN)
  3. Polarymetr (42 000 PLN)

Information in the final report

  • Publication in academic press/journals (4)
  1. Physical Nature of Intermolecular Interactions in [BMIM][PF6] Ionic Liquid
    Authors:
    Borys Szefczyk, W. Andrzej Sokalski
    Academic press:
    The Journal of Physical Chemistry B (rok: 2014, tom: 118, strony: 2147-2156), Wydawca: American Chemical Society, USA
    Status:
    Published
    DOI:
    10.1021/jp411363d - link to the publication
  2. Structure of Alkylimidazolium-Based Ionic Liquids at the Interface With Vacuum and Water - a Molecular Dynamics Study
    Authors:
    Jan Konieczny, Borys Szefczyk
    Academic press:
    The Journal of Physical Chemistry B (rok: 2015, tom: 119, strony: 3795-3807), Wydawca: American Chemical Society, USA
    Status:
    Published
    DOI:
    10.1021/jp510843m - link to the publication
  3. Symmetrical imidazolium chloride based on (–)-menthol: synthesis, characterization and theoretical model of the reaction
    Authors:
    Joanna Feder-Kubis, Borys Szefczyk, Maciej Kubicki
    Academic press:
    The Journal of Organic Chemistry (rok: 2015, tom: 80, strony: 237-246), Wydawca: American Chemical Society, USA
    Status:
    Published
    DOI:
    10.1021/jo502317m - link to the publication
  4. Validation and optimization of the menthol force field for ionic liquids molecular dynamics simulations
    Authors:
    Mateusz Jasik, Borys Szefczyk
    Academic press:
    J. Mol. Liquid , Wydawca: Elsevier
    Status:
    Submitted
    DOI:
    brak - link to the publication

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