čas: 16.10.2021 20:51:39
Obnovit | RAW
Department of Physical Chemistry
List of available PhD theses
Ab initio simulations of structural, thermodynamic and transport properties of metalorganic frameworks
Benchmarking classical and quantum-mechanical molecular simulations for predictions of phase equilibria
Benchmarking the ab initio methods for polymorph stability ranking for molecular crystals
New effective separation membranes for water and wastewater treatment based on hybrid carbon-based materials
Current membrane separation processes allow efficient purification and physical disinfection of water from undesirable components on the basis of a size-sieving mechanism without the need for chemical agents. The pore sizes and their distribution on the membrane surface is an important factor for the effective removal of contaminants and microorganisms. The thesis will study the possibilities of using newly prepared membrane materials based on carbon materials (carbon nanotubes, graphene derivatives, etc.) with targeted surface modifications (eg doping with antimicrobial agents, etc.) in order to effectively remove collected contaminants from water. In addition to the preparation, characterization and testing of materials, the work will also include modelling of the separation process. The result of this work will be, besides the preparation of an effective separation material and describing the model, an extension of knowledge in the given membrane field.
Tailoring of nanostructure in mixed matrix membranes for selective removal of CO2 from biogas
Membrane separation processes belong to modern technologically important separation methods, which are less demanding (economically and ecologically) in comparison with classical separation methods. For the gas separation applications, mainly polymer membranes are used. Their performance (permeability or separation effect) can be additionally adjusted by the targeted embedding of liquid or solid additives into the polymer matrix. The dissertation thesis will focus on the preparation, characterization, and testing of the so-called mixed matrix membranes for the separation of gases based on glassy polymers and functional nano-additives with a purposefully prepared structure. In addition, modeling of the separation process will be part of the work. The result of this work will be prepared and tested membrane material for the effective removal of CO2 from biogas and extension of knowledge in the given membrane field.