Biogas2Syngas · Rational Design for Coke-resistant Dry Reforming Catalyst using Combined Theory and Operando Raman Experiments
Horizon 2020 — Marie Skłodowska-Curie Actions
- Duration
- 2019-11-01 → 2021-10-31
- EU contribution
- €171,473
- Participants
- 1
- Scheme
- MSCA-IF-EF-ST
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Results in brief
Rational Design for Coke-resistant Dry Reforming Catalyst using Combined Theory and Operando Raman Experiments
With dwindling fossil reserves and increased energy and chemical demands, finding an alternate source to fulfil chemical and energy requirement is essential. In this direction, CO2 conversion processes involving syngas production are promising. However, activation of CO2 is a major challenge that requires high temperature, leading deactivation of catalyst due to carbon formation. The MSCA Research Fellow employed theoretical and experimental catalysis with an aim to understand how the activity and stability of dry reforming catalyst reduce due to carbon deposition and howa catalyst can rationally be designed to enhance overall stability with the least impact of coke formation. Biogas2Syngas has an interdisciplinary nature as it lies in the intersection of chemistry and chemical engineering involving theoretical studies and experimental details to understand deactivation mechanisms. The common denominator is the catalyst which we studied through a fundamental multiscale analysis involving both theoretical and experimental results. Despite the COVID-19 pandemic and multiple lockdowns, the project has achieved most of its objectives and milestones for the period, with relatively minor deviations. The overall goal is to develop high-performance coke resistant catalyst for syngas production and understand mechanism of coke formation using operando Raman experiments integrated with computational studies. The objective of the project can be summarized as follows: 1. Preparation and characterization of coke resistant catalysts; 2. Testing of prepared catalysts for biogas to syngas production; 3. Operando Raman spectroscopic experiments to establish detailed molecular structural information, activity relationships and catalyst deactivation mechanism during syngas production under varying reaction conditions and 4. Interpretation of experimental and DFT data in multiscale analysis.
Data: CORDIS, © European Union
Project objective
Increasing energy & chemical demands, rising CO2 emission and depleting fossil reserves have necessitated a search for an alternative technology to mitigate environmental issues, reduce oil consumption and satisfy energy and chemical demand. Production of biogas (mainly methane & CO2) from animal farms in Europe and discovery of shale gas (~ 90% methane) worldwide has led researchers to revisit dry reforming of methane (DRM) into syngas (CO+H2). The use of biogas as feed for chemical production not only curb the global carbon footprint, but also open up avenues for the exploration of new concepts and opportunities for catalytic and industrial developments. Despite the significant potential, DRM has not been commercialized due to catalyst instability leading high operational cost. The key challenges in the field are to increase lifetime and performance of the catalyst by preventing coke formation. Knowledge of structural/morphological changes of catalyst under reaction conditions is important for rational design. To address these issues, concepts based on combined experiment and theory are proposed. Understanding catalyst structure-activity relationship, and mechanistic insights into the DRM process will be developed through operando Raman experiments and Density Functional Theory (DFT) calculations. Raman data will provide electronic state of the catalyst, catalyst structural information, nature of carbon deposits and structure-activity relationship. While, DFT studies will give reaction energy and activation barrier, which will help in understanding the reaction pathways and mechanism of coke formation. Multiscale kinetic modeling will be executed for rationalize experimental trends and establish catalyst structure-activity relationship. The knowledge obtained from this project will not only provide an insight about the effective catalyst design but also offer an avenue to explore new concepts and opportunities for industrial catalysis development.
Original text from CORDIS.
Participants
- POLITECNICO DI MILANO · MilanoCoordinatorItaly
Links
Data: CORDIS, © European Union