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

See also Molecular-Based Studies of Fluids and Fluid Mixtures

From the left (= with increasing x-coordinate of nose): I. Wichterle, M. Lisal, I."Zrzek" Nezbeda, M. Predota, L. Moravkova, Z. Wagner, A. Babic (no longer in our Lab), L. Vlcek, J. Pavlicek, S. Psutka (no longer in our Lab).
Additional photos: M. Bendova, K. Aim, J. Jirsak, Z. Sedlakova
Missing: S. Bernatova, J. Linek, A. Malijevsky

• 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

• Computerized bibliography of vapour-liquid equilibrium data

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

Click here for explanation of abbreviations used on this page.

Way to other Departments:

• Department of Separation Processes
• Department of Catalysis and Reaction Engineering
• Department of Multiphase Reactors
• Department of New Process in Chemistry and Biotechnology
• Environmental Process Engineering Laboratory
• Laboratory of Aerosol Chemistry and Physics
• Laboratory of Laser Chemistry
• Department of Analytical Chemistry

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