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IQTC Internal Seminar 28th of April

The next IQTC Internal Seminar will take place next Friday 28th of April in the ‘Sala d’Actes’ of the Department of Materials Science and Physical Chemistry at 12:00. Here you have the abstracts of the corresponding talks:

Dr. Daniel Bahamon García

Effect of Si/Al ratio on CO2capture by adsorption with faujasites and application in engineering processes

Since varying the Si/Al ratio of cation exchanged zeolites allow modifying their adsorption properties, in this talk we combine molecular simulations with process engineering in order to evaluate the influence of CO2 capture and separation in these materials while making a screening of best candidates for several industrial conditions.

Supervisor: Pablo Gamallo

Joan Coines López-Nieto

Modelling the reaction intermediate of glycoside hydrolases

Glycoside hydrolases are responsible of glycosidic bond cleavage in carbohydrates. We have investigated the principal intermediate of the enzymatic reaction, whose protonation state is controversial, using QM/MM molecular dynamics.

Supervisor: Dra. Carme Rovira