Chemicals important for synthetic rubber production can be electrosynthesized in a sustainable way
Illustration of the electrocatalytic conversion of acetylene (C2H2) to 1,3-butadiene (C4H6) over a copper catalyst. The process involves adsorption of acetylene molecules onto the catalyst surface, followed by hydrogenation and coupling of *C2H2 and *C2H3 intermediates to form 1,3-butadiene, which is subsequently desorbed. Credit: Nature Catalysis (2024). DOI: 10.1038/s41929-024-01250-0
Chemists at the National University of Singapore (NUS) have developed a sustainable method to electrosynthesize 1,3-butadiene, a raw material used in synthetic rubber production, from acetylene.
Reducing the energy requirements and environmental impact associated with the production of multicarbon molecules is critical to developing a more sustainable chemical industry.
A key approach is electrification, which uses renewable electricity to convert simple raw materials such as water and carbon dioxide (CO2) into valuable chemicals and fuels.
To achieve this, clear target molecules and efficient synthetic routes need to be identified. One such target is 1,3-butadiene. Currently, 1,3-butadiene is produced as a minor by-product, along with ethylene, from the energy-intensive cracking of naphtha or ethane. Nevertheless, more than 18 million tons of this important raw material are produced annually.
A research team led by Associate Professor Jason Yeo Bun Hsiang from the NUS Department of Chemistry has shown that copper catalysts are highly effective in converting acetylene to 1,3-butadiene after simple modification with iodide anions. discovered. The research results were published in the journal Nature Catalysis.
The catalyst is capable of producing 1,3-butadiene with a Faradic efficiency of 93% at -0.85 V vs. standard hydrogen electrode (SHE) and a partial current density of -75 mA cm-2 at -1.0 V vs. SHE. It’s done.
The partial current density of 1,3-butadiene, an indicator of catalytic activity, was at least 20 times higher than that reported in previous studies.
The study was carried out in collaboration with Dr. Federico CALLE-VALLEJO from the Basque Science Foundation and the University of the Basque Country in Spain.
The team also included Dr Wei Jie Teh from the NUS Department of Chemistry, Eleonora Romeo and Professor Francesc Illas from the University of Barcelona in Spain, Dr Ben Rowley from Shell Global Solutions International BV, and Dr Shibo Xi from the US. Agency for Science, Technology and Research, Institute for Sustainable Chemistry, Energy and Environment.
Extensive characterization of the catalyst using in-situ spectroscopy and computational simulations using density functional theory reveals a stable assembly of iodide-neutral and partially oxidized Cu sites (Cuδ+–CuO sites). It has been shown that it promotes carbon-carbon (CC) bonding in the catalyst. *C2H3 intermediate to form 1,3-butadiene.
Professor Yeo said: “This research is a collaboration between experimentalists and theorists, as well as our industrial partners, to discover how important chemicals such as 1,3-butadiene can be produced more sustainably. “This is the result of enthusiastic cooperation.”
Based on their findings, the research team plans to develop a catalyst that combines acetylene with long-chain hydrocarbons and could potentially be used as an aviation fuel.
Further information: Wei Jie Teh et al, Selective electroreduction of acetylene to 1,3-butadiene on iodide-induced Cuδ+–CuO sites, Nature Catalysis (2024). DOI: 10.1038/s41929-024-01250-0
Provided by National University of Singapore
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