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Towards a feasible and stable thermocatalytic conversion of CO2 to methanol and E-fuels

Problem statement

Unarguably, CO2 is a crucial concern affecting climate change. To cope with or solve the issue, viable valorization strategies are required for efficient usage of CO2, allowing for a circular economy. We aim to convert CO2 into CO, methane, methanol, dimethyl ether, or E-fuels.

Our activities in CO2 conversion are related to (i) analyzing the stability of industrially relevant catalysts under realistic conditions and (ii) developing new catalytic materials based on Cu. In (i), we are developing reactors that augment the kinetic information: (a) in situ and operando spectroscopic reactors that work under (close to) working conditions to study structure-performance relationships, (b) periodic reactors with transient or variable conditions over time or space. In (ii), we work mainly with novel materials such as metal-organic frameworks (MOFs).

We guide the design of these catalysts based on stability and using density functional theory (DFT) and microkinetic modeling.

Goals

  • Develop advanced structure-function-deactivation relationships of industrially relevant catalysts
  • Analyze the effect of “activity modifiers,” such as sulfur species, aromatics, chlorine, etc., on the catalyst structure and performance
  • Improve the catalyst structure-function correlations using in-situ, operando, and dynamic techniques and reactors
  • Synthesize new catalytic materials with enhanced stability and selectivity
  • Develop a microkinetic-based modeling framework to analyze the catalyst performance
CO2-2023

Related People

Gontzal Lezcano
Juan David Trueba
Pia Dally
Zainab Almoruhen

Related Publications

Microbial symbiotic electrobioconversion of carbon dioxide to biopolymer (poly (3-hydroxybutyrate)) via single-step microbial electrosynthesis cell

by Le, Mohamed, Kim, Yoo, Eisa, Jadhav, Nguyen, Eam, Myung, Castaño, Chae
Chem. Eng. J. Year: 2024 DOI: https://doi.org/10.1016/j.cej.2024.156635

Abstract

This study proposes an novel single-stage microbial electrosynthesis system (MES) that bioelectrochemically converts CO2 into poly(3-hydroxybutyrate) (PHB). This innovative approach utilizes a symbiotic co-culture of electroactive acetogenic bacteria and PHB-accumulating bacteria within a single reactor, bypassing the need for separate acetate production and extraction. Systematic optimization of key operational parameters, including applied voltage, carbon source, and cathode material, was conducted to maximize PHB production. Results demonstrate that using a voltage of 2.5 V yielded a 7.14-fold increase in PHB content compared to open circuit conditions. Furthermore, functionalizing the cathode with a conductive and hydrophilic PEDOT: PSS polymer coating significantly enhanced the system’s performance, resulting in a 1.5-fold increase in both acetate and PHB production compared to unmodified carbon felt electrodes. The long-term stability and effectiveness of the co-culture system were validated through comprehensive microbial and metagenomic analyses. Results revealed a significant enrichment of CO2-utilizing electrotrophs within the cathode biofilm, including Acetobacterium and Clostridium. Concurrently, a 4 to 14-fold increase in the relative abundance of PHB-biosynthesizing bacteria, such as Pseudomonas, Rhodobacter and Caulobacter was observed in the planktonic phase. This study offers a promising pathway towards a circular bioeconomy by enabling the valorization of CO2 into valuable bio-based products via single-stage MES, utilizing a symbiotic co-culture.

Keywords

EPB HCE CO2