MECHANISM · The effect of water on the Fischer-Tropsch reaction mechanism and kinetics over bimetallic Co-based catalysts: Theoretical and experimental studies
Horizon 2020 — Marie Skłodowska-Curie Actions
- Duration
- 2017-04-03 → 2020-04-02
- EU contribution
- €253,955
- Participants
- 2
- Scheme
- MSCA-IF-GF
Lines connect the coordinator with its partners.
Results in brief
The effect of water on the Fischer-Tropsch reaction mechanism and kinetics over bimetallic Co-based catalysts: Theoretical and experimental studies
The Fischer-Tropsch Synthesis (FTS) is currently an industrial catalytic reaction that converts a gas mixture of carbon monoxide and hydrogen (syngas) into liquid hydrocarbons (synthetic fuels) and water. The FTS reaction provides the most economic path for the synthesis of liquid fuels free of sulphur and with lower soot emissions than conventional fuels produced in the oil refineries. H2O is formed during the FTS and influences rates and selectivities of reaction products. This project addresses the roles of void structure, Co nanoparticle size, extent of reduction of Co oxide precursors and experimental conditions (reaction temperature, total pressure of reactants and time on stream) on the magnitude of these rate and selectivity enhancements by the presence of water (added on purpose or increases in concentration with increasing residence time). This project has six objectives: (1) the training and career development of the researcher; (2) the synthesis of bimetallic Co-based catalysts of uniform composition and a range of mean cluster diameter; (3) the physicochemical characterization of bimetallic Co-based catalytic materials, using TEM, PXRD, BET and TPD; (4) the understanding of the influence of water on the catalytic behaviour of these catalytic materials; (5) the elucidation of mechanistic details using DFT calculations, SSITKA-DRIFTS and -MS technique and transient experiment in order to study the effect of water, support structure and cluster size on the nature and reactivity of reaction intermediates; (6) the dissemination of results and public engagements.
Data: CORDIS, © European Union
Project objective
The Fischer-Tropsch (FT) synthesis is an industrial catalytic reaction for the production of cleaner transportation fuels (diesel, gasoline). Notably, the rising price of crude oil with the diminishing of the crude oil resources lead for actions towards a more sustainable energy system.FT synthesis converts synthesis gas (CO and H2) into long-chain hydrocarbons. The mixture of CO and H2 can be obtained from natural gas, coal and biomass. This proposal is timely for the applicant’s country, Cyprus, but also for the European Union, since a large amount of natural gas has been discovered in Cyprus. The main objective of this proposal is to deeply investigate the mechanism of FT reaction, which remains controversial using advanced experimental methods. In particular, this proposal seeks to provide a useful contribution to the state-of-the-art in the mechanistic role of water, of support structure and cluster size on the rate and selectivity of FT synthesis on bimetallic Co-based materials. The applicant will gather deep knowledge about existing computational methods (DFT calculations) within the UC Berkeley, and use these tools together with experimental studies on the mechanistic role of water on the FT reaction. Also, during the outgoing phase the researcher will acquire new knowledge for the following techniques: TEM and gas chromatography. During the outgoing phase the applicant will use her skills towards the synthesis of bimetallic Co-based materials and to implement PXRD, BET, in situ DRIFTS and SSITKA-in situ infrared measurements. During the returning phase, the applicant will use her skills to perform a variety of transient experiments and complementary mechanistic studies using also the SSITKA-mass spectrometer technique (use of stable 13CO, D2 and D2O isotopes). The project will extend the skills of the applicant in a new field of computational heterogeneous catalysis, solid-state chemistry, and mechanistic studies of surface-catalyzed reactions.
Original text from CORDIS.
Participants
- UNIVERSITY OF CYPRUS · NicosiaCoordinatorCyprus
- THE REGENTS OF THE UNIVERSITY OF CALIFORNIA · OaklandUnited States
Links
Data: CORDIS, © European Union