DEPARTMENT OF PHYSICAL CHEMISTRY
Research groups

Theory group

The theory group studies phase equilibria, nonequilibrium thermodynamics, statistical thermodynamics, and quantum chemistry.

• Statistical Thermodynamics and Molecular Simulations (Kolafa)
• Electronic Structure and Molecular Dynamics (Slavicek)
• Phase Equilibria and State Behavior (Novak)
• Methodology of Phase and Chemical Equilibrium Calculations (Vonka)
• Quantum Chemistry, Estimation of Thermochemical Properties (Bures)

Phase equilibria

Research conducted in the field of phase equilibria and interfacial phenomena is centered on fluid-phase systems of industrial, environmental and biochemical relevance. Experimental techniques that are at our disposal enable determination of low-pressure phase equilibria (vapor-liquid, liquid-liquid, solid-liquid, gas-liquid), enthalpies and volumes of mixing, interfacial tension, and sorption from solutions.

• Thermodynamics of Phase Equilibria; Highly Dilute Solutions and Solutions with Specific Molecular Interactions (Dohnal)
• Thermodynamics of Phase Equilibria; Liquid–Liquid Equilibrium in Ternary Systems (Rehak)
• Surface and Interface Phenomena (Hovorka)

Physical and chemical properties

Physical and chemical properties of fluids, applied thermodynamics, and membrane separation processes are studied for a broad range of compounds including polutants.

• State Behavior of Fluids (Cibulka)
• Applied Thermodynamics (Ruzicka)
• Laboratory of Membrane Separation Processes (Friess)
• Prediction of Physical and Chemical Properties of Pure Compounds and Mixtures (Chuchvalec)