ICPF - E. Hala Laboratory of Thermodynamics

	Institute of Chemical Process Fundamentals ASCR, v.v.i. Prague

E. Hala Laboratory of Thermodynamics

See also Annual Report 2008 of the Department which includes research projects, international cooperations, visitors&visits, teaching activities, and list of papers.

People

Head: Karel Aim
Deputy: Martin Lisal

Research staff: Magdalena Bendova, Jan Jirsak, Jan Linek, Alexandr Malijevsky, Lenka Moravkova, Jan Pavlicek, Zuzana Sedlakova, Lukas Vlcek, Zdenek Wagner, Ivan Wichterle
Part time: Ivo Nezbeda, Milan Predota

Technical staff: Svatoslava Bernatova

PhD students: Karolina Machanova, Stanislav Parez

From the left: J. Linek, M. Bendova, Z. Sedlakova, K. Machanova, M. Lisal, I."Zrzek" Nezbeda, K. Aim, S. Parez, M. Predota, I. Wichterle, J. Pavlicek, Z. Wagner
Missing: S. Bernatova, J. Jirsak, A. Malijevsky, L. Moravkova, L. Vlcek

Fields of research

Experimental determination and modelling of phase equilibria in fluid systems, including systems containing ionic liquids and systems with chemical reaction
Experimental determination of properties of polymer solutions
State and phase behaviour of fluids at superambient conditions (up to very high pressures)
Molecular simulations and perturbation theories for model fluids and fluid mixtures
Molecular simulations of chemically reacting systems in nanoporous materials
Mesoscale simulations of polymeric/nanoparticle systems
Development of molecular theory of polar and associating compounds (and their mixtures)
Development of equations of state based on molecular theory
Development and application of density functional theory for inhomogeneous fluids
Hydrophobic interactions
Percolation and nucleation
Application of statistical-mechanical models to real fluids
Thermodynamic modelling and processing of thermodynamic data

Applied research

Computerized bibliography of vapour-liquid equilibrium data

Running research projects

NEW - High-pressure phase equilibrium and p-V-T behaviour
(Z. Sedlakova, supported by GACR, grant No. GP203/09/P141, 2009-2011 [2328] )

NEW - P-V-T Behaviour of liquid mixtures constituting engine biofuels - experimental determination, correlation and prediction
(M. Linek, supported by GACR, grant No. GA104/09/0666, 2009-2011 [2327] )

Determination of the phase and state behaviour of fluids and fluid mixtures for processes at superambient conditions: molecular-based theory and experiment
(K. Aim, joint project with UJEP, and CTU, supported by ASCR, grant No. IAA400720710, 2007-2011 [2115] ) - Report 2008

Computer modeling of structural, dynamical and transport properties of fluids in nanospace
(M. Lisal, joint project with South Bohemia University, Ceske Budejovice, supported by GACR, grant No. GA203/08/0094, 2008-2011 [2326] ) - Report 2008

Simple and complex models of aqueous solutions: The effect of nonadditive interactions
(I. Nezbeda, supported by ASCR, grant No. IAA4007720802, 2008-2012 [2116] ) - Report 2008

Thermodynamic properties of gas–liquid systems
(I. Wichterle, supported by GACR, grant No. GA104/07/0444, 2007-2009 [2325] ) - Report 2008

Novel technology of preparation of molecularly imprinted polymeric materials
(I. Wichterle, supported by MZOŠ-RH, project No. 061-0-3029, 2008-2009 [2903] ) - Report 2008

Molecular simulations at extreme experimental conditions: application of advanced methods in geochemistry
(M. Lisal, supported by ASCR, project No. 1ET400720507, 2005-2009 [2502] ) - Report 2008

Design of “tailor made” multifunctional organic materials by molecular modelling of structure - property relationship, experimentation and processing (MULTIPRO)
(M. Lisal, supported by EC-FP6, project No. NMP3-CT-2006-033304, 11/2006-2009 [2001] ) - Report 2008

EFCE WP "Fluid Separations"
(M. Bendova, supported by MEYS, INGO project No. LA 320, 3/2007-3/2011 [2404] ) - Report 2008

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