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Reactions in confined space
11 juni 2009 - One of the candidates for the Academic Annual Awards was dr. Evgeny Pidko, currently a postdoctoral researcher at TU/e’s Chemical Engineering and Chemistry Department. For his dissertation he looked at the reactivity of zeolites, a very porous material with many applications in industry.
Photo: Bart van Overbeeke

“You will find it for example in washing powder, to soften water”, Pidko explains. This mineral can be found in nature, in volcanic areas, but for industrial purposes it is mostly made synthetically. Typical of zeolites is that they have very porous structures with holes and channels of a molecular size. They have a great ability to adsorb fluids and gases. Added to this they are strong and can stand heat and quite aggressive environments very well. Therefore they have a lot of commercial applications as adsorbents or catalysts. Zeolites can work as ‘molecular sieves’, which separate molecules of different sizes in gas mixtures, and are widely used as catalysts that promote a wide variety of reactions that take place locally inside the pores of the zeolite.

“In my dissertation I show that these pores, these confined spaces, are very important for chemical transformations of the molecules in it”, says Pidko. “I like to make the following comparison. If you have a student house where peo-ple live close to each other, how many couples are formed there? Friends will visit the house and meet the others. It’s more likely that couples are formed in this ‘confined space’ where people meet, than if the students live alone in separate houses.”

Properties of materials in chemistry are mainly based on how electrons of atoms move about and interact. Pidko used quantum chemistry to model the behaviour of the electrons in the reacting molecules and thus to compute their properties. “There are several computer programs with which you can do that”, Pidko explains. “We calculate energy barriers, the energy landscape, and from these data we conclude for example how reactive or how stable the reagents in the cavities of the zeolite are.” The ultimate goal is to get an understanding of the beha-viour of the catalyst and reagents at this level and even be able to predict it. “Quantum chemistry will allow you to understand chemistry at the molecular level with the ultimate goal to design materials in a rational way”, says Pidko.

Pidko studied Chemistry in Moscow. “During my Master’s program I was working in the lab of professor Kazansky in Mos-cow on a joint project between the Institute of Organic Chemistry there and the Catalyst group of professor Rutger van San-ten at TU/e. After gradua-tion in 2004, I went for a short visit to TU/e to per-form some experimental studies with Emiel Hensen and was offered a PhD position. “Van Santen offered a lot of freedom. We addressed a lot of interesting problems and my dissertation was therefore rather broad.”

After his PhD Pidko deci-ded to stay at TU/e. “I rea-lised that I had a lot of possibilities to develop and collaborate in Eindhoven.” He joined the biomass conversion project ‘Physical Chemistry of Catalytic Sugar Conversions’ within the ‘Catalysis for Sustain-able Chemicals from Bio-mass’ (CatchBio) program. The aim of CatchBio is to develop clean and efficient processes for biomass conversion into sustainable biofuels, chemicals and pharmaceuticals. Complex molecules of cellulose, for example from non-edible plants, are broken down to simple sugars with acid or enzymes. This sugar can be fermented and distilled to the biofuel ethanol. “My project is again very theoretical”, says Pidko. “The goal is to find out at a molecular level why it is so difficult to selectively convert glucose using chemo-catalytic processes. Enzymes do it quite well. One path of research is to find a chemical way to mimic enzymes. Chemistry is more efficient. Using enzymes is a more fragile and slow system.”

Pidko also works together with the group of professor Bert Meijer, the Institute for Complex Molecular Systems, and with other groups both from TU/e and other Dutch and European universities. “I can’t work in one field only”, he explains. “The modelling of this biomass conversion is very difficult. When I run out of ideas and need time to think, it’s good to work at other projects while doing that. It makes it more efficient. And as I’m an experimentalist at heart, I need the input of collaborating with other researchers to inspire and guide my theoretical work.”/.

 

Topdogs of TU/e

On Wednesday 3 June TU/e presented the Academic Annual Awards to its best graduating student, its best design engineer and the best PhD of the past year. For the second time the Societal Impact Award, too, was granted to the project with the greatest prospects for man and society.

The Graduation Award went to ir. John Helmes from Industrial Design for his project ‘The Other Brother’. Together with Microsoft Research, where he is now employed, Helmes developed a small robot that records unexpected events from everyday life. Ir. Rianne Pas PDEng (Design and Technology of Instrumentation) received the award for the best design project with her system of using X-rays to determine the severity of the stenosis in coronary arteries. The Dissertation Award went to dr. Maria García Larrodé from Electrical Engineering. Her research focused on a new system that combines glass fiber with wireless communication in houses or enterprises.

The TU/e Societal Impact Award went to ir. Jasper Winkes from Mechanical Engineering. He developed an innovative method to drive piles into the ground, which includes lower fuel consumption and less nuisance for users and people living in the neighborhood./.