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Chiral Room-Temperature Ionic Liquids: Insight from Molecular Dynamics Simulations
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SYSNO ASEP 0394574 Document Type A - Abstract R&D Document Type The record was not marked in the RIV R&D Document Type Není vybrán druh dokumentu Title Chiral Room-Temperature Ionic Liquids: Insight from Molecular Dynamics Simulations Author(s) Lísal, Martin (UCHP-M) RID, ORCID, SAI
Chval, Z. (CZ)
Storch, Jan (UCHP-M) RID, ORCID, SAI
Izák, Pavel (UCHP-M) RID, ORCID, SAI
Aim, Karel (UCHP-M) RID, SAISource Title Technical Program, Poster Session III. - - : -, 2013 - ISBN N
S. 1Number of pages 1 s. Publication form Medium - C Action International Conference on Properties and Phase Equilibria for Products and Process Design /13./ Event date 26.05.2013-30.05.2013 VEvent location Iguazu Falls Country AR - Argentina Event type WRD Language eng - English Country AR - Argentina Keywords RTIL ; molecular dynamics ; simulation Subject RIV CF - Physical ; Theoretical Chemistry Institutional support UCHP-M - RVO:67985858 Annotation It is a well-known fact that two enantiomers may exhibit completely different pharmacological activity. Separation of a relevant enantiomer from a racemic mixture is then one of the problems faced by pharmaceutical industry. A promising way for such separations appears to be the technique based on enantioselective membranes utilizing chiral roomtemperature ionic liquids (RTILs). Molecular dynamics simulations were performed to predict thermodynamic and structural properties of the chiral RTILs at temperature of 300 K and pressure of 1 atm. The studied chiral RTILs are currently tested for separation of a racemic mixture of α-pinenes and the reported simulations complement their experimental characterization. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2014
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