Institute of Chemical Process Fundamentals

Prague, Czech Republic

The Institute of Chemical Process Fundamentals is one of the six institutes constituting the Section of Chemical Sciences of the Czech Academy of Sciences. The Institute functions as a center for advanced research in chemical, biochemical, catalytic and environmental engineering and it acts as a graduate school for PhD studies in the fields of chemical engineering, physical chemistry, industrial chemistry, and biotechnology.

The laboratory of Aerosols Chemistry and Physics in ICPF has always brought its modelling expertise to complement experimental effort and it has had a great synergy effect on success of the projects. Modelling expertise of Laboratory of Aerosols Chemistry and Physics spans molecular modelling of complex fluids (both homogeneous and inhomogeneous) in equilibrium and non-equilibrium and their application to chemical engineering problems. This includes: computer simulations (methodology and applications), modelling of intermolecular interactions and development of models of fluids, study of systems with simultaneous phase and chemical equilibrium, polymer solutions, and computer modelling of non-reacting and reacting fluid systems in nanoporous materials.

The ICPF Team

The team in ICPF is lead by Prof. Martin Lisal. His research expertise is in advanced particle-based modeling including atomistic simulations and coarse-grain dissipative particle dynamics. He applies the modeling to address problems of societal relevance including green solvents, nanoporous and stimuli response materials, and screening of physico-chemical properties of industrial fluid systems.

The team further consists of Dr. Filip Moucka, two PhD students, Martin Svoboda and Lukas Michalec, and a MSc student Eliska Rezlerova. Filip Moucka is a Junior Scientist and his research expertise is in Monte Carlo simulations. He applies the modelling to understand the properties of aqueous systems at bulk and nanoscale. The team will carry out molecular simulations of fluids in organic and inorganic parts of shale.