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Volume 1 Issue 5, May 2024

Digitizing CO2 electrolyzers

The design of electrochemical reactors that convert CO2 into valuable chemicals and fuels is made challenging by the lack of computational models that capture the complex physics and chemistry of these systems. Now, Adam Weber and colleagues have developed a comprehensive continuum model that links ion, water and gas transport with coupled ion–electron transfer kinetics to quantify rate-limiting phenomena and trade-offs in reactor design. The cover shows how this digital model complements CO2 reduction experiments to accelerate the development of improved reactors.

See Lees et al. and Elgazzar & Wang

Image: Justin Bui, Francisco Galang and Samantha Trieu, Lawrence Berkeley National Laboratory. Cover design: Thomas Phillips.

Editorial

  • Modeling chemical processes and systems underpins progress in chemical engineering science; we encourage submissions in this domain.

    Editorial

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Comment & Opinion

  • Crystallization plays a pivotal role in the manufacturing of pharmaceuticals. This Comment briefly reflects on past achievements and emerging opportunities in industrial crystallization, particularly considering increasing molecular and system complexities.

    • Stefani Kocevska
    • Christopher L. Burcham
    • Giovanni Maria Maggioni
    Comment
  • Jennifer Curtis from the University of California Davis talks to Nature Chemical Engineering about her path into particle technology, work in computational simulations of multiphase particle flows and the importance of industrial collaborations in advancing the field.

    • Alessio Lavino
    Q&A
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Research Highlights

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News & Views

  • Accurately modeling CO2 electroreduction is key to advancing the technology and understanding its productivity and CO2 utilization trends. Now, Marcus–Hush–Chidsey theory offers accurate predictions of experimental results, leading to further insights beyond reaction kinetics.

    • Ahmad Elgazzar
    • Haotian Wang
    News & Views
  • Transitioning to more sustainable chemicals will require the challenging replacement of fossil resources with renewable carbon and energy sources in their production. Now, integrating industrial sectors offers an interim solution to mitigate emissions in the chemical industry until technologies for closing the carbon loop can be deployed at scale.

    • Gonzalo Guillén-Gosálbez
    • Lucas Francisco dos Santos
    News & Views
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Research Briefings

  • Decarbonizing the steel industry is crucial but challenging. Now, an enzymatic method is introduced for converting carbon monoxide from industrial off-gases into formate, offering a path towards carbon-neutral steel production. The enzymatic process achieves high selectivity, and operation of a 10-liter-scale reactor with real industrial emissions indicates its scalability and practical applicability.

    Research Briefing
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Research

  • The design of CO2 electrolyzers is complicated by coupled transport and reaction phenomena. Here the authors develop a continuum model incorporating physical phenomena across multiple scales to predict the activity and selectivity of CO2 electrolysis, along with the loss of CO2 due to crossover in membrane electrode assemblies.

    • Eric W. Lees
    • Justin C. Bui
    • Adam Z. Weber
    Article
  • With the global climate crisis, approaches to capture emissions are critical, with the heavy industry sector being particularly challenging to decarbonize. The authors describe a new enzyme cascade for converting industrial emissions into formate salts as a hydrogen carrier or building block for chemicals.

    • Jinhee Lee
    • Suk Min Kim
    • Yong Hwan Kim
    Article Open Access
  • Achieving a net-zero future requires that hard-to-abate sectors be addressed. Co-production offers an opportunity to mitigate chemical and steel sector emissions by extracting H2 and CO from steelmaking off-gas and using them for chemical syntheses. The authors examine carbon mitigation and costs of co-producing chemicals and steel in China.

    • Yang Guo
    • Jieyi Lu
    • Denise L. Mauzerall
    Article
  • Real-life plastic waste exists as complex mixtures, posing a challenge for efficient upcycling. Now a sunlight-powered thermocatalytic process using a Ni-based catalyst converts a plastic mixture into CH4, H2O and HCl. Notably, chlorine poisoning is minimized through temperature modulation driven by the diurnal sunlight cycle.

    • Meng Wang
    • Yongjun Gao
    • Ding Ma
    Article
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By the Numbers

  • Identifying and estimating operative timescales can help win over a skeptical referee, as Tom Dursch recounts.

    • Thomas Dursch
    By the Numbers
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