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Thermophysical properties of practically important fluids and fluid mixtures
at superambient conditions from molecular-based theory and experiment.
Principal researcher:
K. Aim, E. Hala Laboratory
Co-researcher: T. Boublik, I. Nezbeda, J. E. Purkinje University,
Usti n. Lab.
Supported by the Grant Agency of the Academy of Sciences (2007-2011)
(summary)
Metastable water and steam
Principal researcher:
J. Hruby, Inst. of Thermomechanics, Acad. Sci.
Co-researchers: V.
Zdimal, I. Nezbeda, Inst. Chem. Process Fund., Acad. Sci., Prague
P.
Demo, Institute of Physics, Acad. Sci., Prague
K. Studenovsky, Czech
Technical University, Prague
R. Mares, West Bohemia University,
Plzen
Supported by the Grant Agency of the Czech Republic
(2005-2007) (summary)
Molecular simulations at extreme experimental conditions:
Application of advanced methods to geochemistry
Principal researcher: M. Lisal
Supported by the "Information Society Programme" (2005-2009)
(summary)
Molecular-level simulations of chemically-reacting fluids in nanoporous
materials
Principal researcher: M. Lisal
Supported by the Grant Agency of the Czech Republic (2005-2007)
(summary)
Application of advanced simulation methods for studying
the structure, physico-chemical properties, and preparation of composites
and nanomaterials.
Principal researcher: I. Nezbeda
Co-researcher: S. Novak, J. E. Purkinje University, Usti n. Lab.
Supported by the "Information Society Programme" (2004-2008)
(summary)
General equations of state of fluids from molecular principles and their
application to thermophysical properties of fluid mixtures
Principal researcher: I. Nezbeda
Supported by the Grant Agency of the Academy of Sciences (2003-2006)
(summary)
Molecular model of aqueous solutions of electrolytes and its application
Principal researcher: I. Nezbeda
Supported by the Grant Agency of the Czech Republic (2002-2004)
(summary)
Prediction of solubility for large molecules in solvents by parallelized
molecular simulation methods
Principal researcher: M. Lisal
Supported by the Grant Agency of the Academy of Sciences (2002-2005)
(summary)
Molecular modeling of supercritical carbon dioxide-surfactant-solute
systems
Principal researcher: M. Lisal
Supported by the Grant Agency of the Czech Republic (2002-2004)
(summary)
Statistical thermodynamic study of model colloid systems
Principal researcher: I. Nezbeda
Supported by the Grant Agency of the Czech Republic (2001-2003)
(summary)
From simple models to molecular theory of real associated fluids.
Theory and applications
Principal researcher: I. Nezbeda
Supported by the Grant Agency of the Academy of Sciences (1999-2002)
(summary)
Behavior of fluids at very high pressures
Principal researcher: I. Nezbeda
Co-researcher: S. Labik, Inst. of Chemical Technology, Prague
Supported by the Grant Agency of the Czech Republic (1999-2001)
(summary)
Description of thermodynamic properties of fluids at superambient
conditions by the methods of applied statistical mechanics
Principal researcher: K. Aim
Supported by the Grant Agency of the Czech Republic (2000-2002)
(summary)
Equations of state for real non-simple fluids and their mixtures
based on molecular theory
Principal researcher: K. Aim
Supported by the Grant Agency of the Academy of Sciences (1997-2000)
(summary)
Phase equilibria in systems with chemical reaction
Principal researcher: I. Wichterle
Supported by the Grant Agency of the Academy of Sciences (1997-2000)
(summary)
Molecular modeling of aqueous solutions of electrolytes
Principal researcher: I. Nezbeda
Supported by the Grant Agency of the Academy of Sciences (1996-1998)
Binary mixtures with associating components: Molecular and phenomenological
theories, and experiment
Principal researcher: I. Nezbeda, Co-researcher: Iva Malijevska, Inst.
of Chemical Technology, Prague
Supported by the Grant Agency of the Czech Republic (1996-1998)
Solubility of hydrophobic substances in water
Principal researcher: I. Nezbeda
Co-researcher: A. Malijevsky, Inst. of Chemical Technology, Prague
Supported by the Grant Agency of the Czech Republic (1996-1998)
Intermolecular interactions and associated phase diagrams of
binary fluid mixtures
Co-researchers: G. Kahl
(Dept. of Theoretical Physics, Technical University Vienna, Vienna, Austria)
and I. Nezbeda
Supported by AKTION - The Czech-Austrian cooperation program (2005
- 2006)
(summary)
Description of liquid-liquid and vapor-liquid equilibria by
molecular simulation
Co-researchers: M. Wendland
(Agriculture University of Vienna, Vienna, Austria)
and M. Lisal
Supported by AKTION - The Czech-Austrian cooperation program
(2003 - 2004)
(summary)
Molecular-based prediction of solubility in bulk and confined systems
Principal researchers:
W.R. Smith
(University of Guelph, Guelph, Ontario) and I. Nezbeda
Collaborating partners: H.L. Voertler, University of Leipzig, Germany,
and S. Labik, Inst. of Chemical Technology, Prague
Supported by NATO Science Programme (2002-2003)
(summary)
Molecular thermodynamics of polar and associating fluids
Co-researchers: J. Fischer
(Agriculture University of Vienna, Vienna, Austria) and I. Nezbeda
Supported by AKTION - The Czech-Austrian cooperation program (1999
- 2001)
(summary)
Molecular theory of phase behavior of fluids and fluid mixtures
Ontario Institute of Technology, Oshawa, Canada (M. Lisal, I. Nezbeda)
Collaborating partner:
W. R. Smith
Simulation of phase and reaction equilibria in inhomogeneous fluids
Sonderforschungsbereich 294, University of Leipzig, Leipzig, Germany (I.
Nezbeda - Corresponding member).
Collaborating partners:
H.
L. Voertler,
M.
Kettler
MACSIMUS - Macromolecule Simulation Software University of Odense, Odense, Denmark (J. Kolafa)
Molecular dynamics studies of electrolytes Northwestern University, Evanston, Illinois, USA (J. Kolafa)
