A Research Paper by Theoretical Chemistry Group at Chuo University Adorned Cover of ACS Omega

A research paper by Theoretical chemistry group at Chuo University adorned Cover of ACS Omega.

Improving carbon capture efficiency is required while reducing costs to popularize carbon capture and storage (CCS). Theoretical chemistry group (PI: Prof. Hirotoshi Mori) at the Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University has theoretically explored the CO2 absorption capacity of 1,533,528 hydrogen-bonded mixtures, i.e., deep eutectic solvents (DESs) in a broad sense. Comprehensive statistical thermodynamic calculations based on quantum chemical calculations explain the experimental reports; it is confirmed that 96 DESs containing ionic compounds (choline chloride etc.) have higher CO2 selective absorption capacity even under humid conditions than those composed of non-ionic species. The further quantitative analysis of hydrogen-bonding interaction also predicts that the capacity is higher when the trace ions work as hydrogen-bonding donors by weakening the hydrogen-bonding network in the mixtures. This study will contribute to the global challenge of climate change by providing a viable material for CCS.

This study was published by ACS Omega on April 14th, 2023, and adorned the Cover of the journal. The picture depicts a polar bear tormented by global warming, anxiously hoping for the early realization of carbon neutrality.


COSMO-RS Exploration of Highly CO2-Selective Hydrogen-Bonded Binary Liquid Absorbents under Humid Conditions: Role of Trace Ionic Species



* Corresponding Authors Shiori Watabe (Chuo University), Nahoko Kuroki* (Chuo University, JST ACT-X), Hirotoshi Mori * (Chuo University)


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