Wait a second...
Nepřihlášený uživatel
You are here: UCT PragueFCHIUFCH → R & D → Research groups → Applied thermodynamics
iduzel: 24689
idvazba: 31078
šablona: stranka_obrazek
čas: 27.11.2021 06:53:32
verze: 5002
branch: trunk
Obnovit | RAW

Applied thermodynamics


Head of group

Prof. Květoslav Růžička, Ph.D.
e +420 22044 4116

Team members

Prof. Michal Fulem, PhD.
Vojtěch Štejfa, PhD.
Alex Mathers
Václav Pokorný

Research topic

Description of the vapor-liquid and vapor-solid equilibria for i) high-boiling substances classified as potential contaminants; ii) organometallic compounds used as MOVPE precursors; iii) biogenic compounds (terpenes, fragrances, H-bonding compounds, infochemicals). This includes

a) experimental determination of vapor pressure in low-pressure region (below 1 kPa);

b) calorimetric determination of heat capacities and enthalpies of phase transitions for solids and moderately volatile liquids (temperature range from 2 K to 600 K);

c)state of the art ab-initio calculations of ideal gas thermodynamic properties;

d) simultaneous correlation (SimCor) of vapor pressures and thermal derived quantities, which allows evaluation of vapor pressure (and vaporization/sublimation enthalpies) in the region of extremely low vapor pressures, where direct determination is not feasible;

e) Development, validation and application of ab initio computational methodologies for calculations of thermodynamic properties, phase diagrams and polymorphism of molecular crystals;

f) Molecular-dynamics simulations and calculations of thermodynamic and structural properties of ionic liquids.

Sublimation enthalpies obtained by SimCor are used as a benchmark for development of ab initio methodologies leading to reliable lattice energies and prediction of sublimation equilibria.

Calorimetry is used also for studying novel inorganic materials used for fabrication of semiconductors; polyaromatic hydrocarbons and bitumens; compounds of pharmaceutical interest


Updated: 18.2.2021 14:30, Author: Martin Klajmon

Find more information about Laboratory of Applied Thermodynamics at



UCT Prague
Technická 5
166 28 Prague 6 – Dejvice
IČO: 60461373 / VAT: CZ60461373

Czech Post certified digital mail code: sp4j9ch

Copyright: UCT Prague 2015
Information provided by the Department of International Relations and the Department of R&D. Technical support by the Computing Centre.
switch to desktop version