Design of selective catalytic processes for the conversion of CO2 to ethanol - UliSess

Project presentation

Title: Design of selective catalytic processes for the conversion of CO2 to ethanol - UliSess / Načrtovanje selektivnih katalitskih postopkov pretvorbe CO2 v etanol - UliSess

Project acronym: J7-4638

Leading institution: National Institute of Chemistry  

Principal investigator: izr. prof. dr. Blaž Likozar

Partner institutions: 

• University of Ljubljana, Faculty of Chemistry and Chemical Technology  
• Jožef Stefan Institute  
• University of Maribor, Faculty of Chemistry and Chemical Engineering  
• University of Primorska, Faculty of mathematics, Natural Sciences and Information Technologies 

Investigator at UP FAMNIT: prof. dr. Urban Bren

Funding organization: Slovenian Research and Innovation Agency (ARRS)

Research field (ARRS): 2.02.00 - Engineering sciences and technologies - Chemical engineering

Project type: Basic Research Project

Duration: 1. 10. 2022 - 30. 9. 2025

Every day, huge amounts of greenhouse gases (GHGs) are released into the atmosphere, causing global warming. Of these, carbon dioxide (CO2) contributes the largest share (72%) of GHG emissions, mainly due to the use of large quantities of fossil fuels, and its emissions are increasing. Carbon capture and utilisation (CCU) and/or carbon capture and storage (CCS) are therefore key to reducing CO2 emissions. Of the two options, CCU is the more attractive and more promising route.

CO2 can be converted into a multitude of potential value-added chemicals, of which ethanol is an excellent choice. Pure ethanol has a wide range of applications, such as clean fuel, motor fuel, fuel additive, feedstock in the manufacturing industry, solvent, low-temperature liquid, etc. Ethanol production by fermentation is considered unethical in many respects, as the feedstock requires arable land that could be used for food production. Sustainably, however, the conversion of CO2 to ethanol can be achieved by direct hydrogenation using green hydrogen. In this project, we aim to mitigate climate change in two steps, a) in the capture and utilisation of CO2 and b) in the reduction of energy needs in its purification.

To achieve this, it is necessary to overcome some of the problems, such as CO2 activation and C-C coupling, which lead to low yields and unsatisfactory selectivity. Several studies have been published overcoming these problems to varying degrees. However, the existing drawbacks drastically reduce the applicability of direct CO2 hydrogenation and encourage us to explore new strategies for such ethanol synthesis.

The proposed project will address the issues described above through a multi-faceted approach. We will investigate the production of ethanol using a) three different catalytic processes, b) purify the ethanol (pilot process development) using state-of-the-art extraction procedures, and c) mathematically describe all the processes of a and b.

We will achieve this through a targeted approach. We will synthesise and fully characterise catalysts for all three catalytic processes. For a) the thermocatalytic (copper-modified zeolite-based catalysts), b) the electrocatalytic (poly-metallic nano-catalysts supported on different materials) and c) the radiolytic approach (copper-based catalysts). The ethanol produced will be d) purified by multi-stage counter-current supercritical carbon dioxide extraction. Finally, we will e) describe all approaches with first-principles simulations, kinetic description and mesoscopic membrane permeability simulations. The latter will provide a feedback loop where the modelling results will be implemented in the next round of experiments.

We expect to 1) identify the most efficient catalyst (thermo- and electrocatalysis and radiolysis) supported on different materials, and 2) determine how specific material properties affect the catalytic reaction. In addition, we expect to 3) gain a deeper understanding of how process parameters modify catalyst selectivity, activity and stability. In addition, we believe that we can reduce 4) the energy requirement for ethanol purification. Finally, through mathematical modelling, we anticipate 5) to build a multi-level model that will describe (predict) catalyst activity/selectivity and extraction efficiency.

Ultimately, the results of the proposed project will further contribute to the fundamental understanding of several catalytic and purification processes. This knowledge is not limited to ethanol production/purification and can be used by researchers in other fields. The consortium is made up of outstanding researchers, experts in relevant fields, and the project is expected to produce results of exceptional quality.