MARJAN KRSTIĆ

 

EDUCATION:
•    2005. - 2008. Faculty of Science, Split, Bachelor of Science (Univ. bacc. phys.), Course: Engineer physics, thermodynamics and    mechanics

•    2008. - 2010. Faculty of Science, Split, Master of Science (Mag. phys.), Course: Engineer physics: Mechanical systems

BSc Thesis: Frequency response function (FRF)

MSc Thesis: Modeling and simulation of mechanical systems in engineer practice

 

PhD description

Ruthenium methanation catalyts for fuel cell feed gas purification

Direct transformation of chemical into electrical energy has been identified as one of the key transportation technologies of the 21st century. This transformation is realized in a fuel cell in which fuel energy, a mixture of hydrogen and oxygen, is directly converted into electricity by means of an electro-catalytic process.

The objective of this research is improvement of the performance of polymer electrolyte fuel cells (PEFC) by purification of feed gas for the application in transport. This will be achieved by the selective removal of carbon monoxide from hydrogen fuel gas through catalytic methanation, minimizing poisoning of the fuel cell.

The collaborative theoretical (ICAST) and experimental efforts (University Ulm) will lead to an understanding of the mechanisms of carbon monoxide removal via conversion to methane on ruthenium metal particle catalysts. It is expected to discover the optimal ruthenium particle size that selectively removes carbon monoxide(CO) from hydrogen fuel feed gases, while not affecting other components of the fuel feed gases, like carbon dioxide (CO2).

It was shown that a decrease in the ruthenium metal particle size strongly enhances the requested methanation selectivity. The reason for this enhancement remains completely unknown. Therefore, to optimize the ruthenium catalyst performance with respect to the CO removal, knowledge of the mechanism of the involved chemical reactions is mandatory.

Such mechanistic information can be gained by quantum chemical ab initio simulations in conjunction with mass spectrometry gas phase experiments. Theoretical results will be compared with the gas phase ion trap reaction studies (University Ulm, Prof. T. Bernhardt group). This will lead to an important improvement of methanation catalysis for the preparation of high quality hydrogen combustion gases for PEFC applications.