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Updated: Aug 23, 2026

In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
Published on: February 1, 2020
A vibrational spectroscopic study of structure evolution of water dissolved in supercritical carbon dioxide under
R Oparin1, T Tassaing, Y Danten
1Laboratoire de Physico-Chimie Moléculaire, CNRS (UMR 5803), Université Bordeaux I, 351 Cours de la Libération, 33405 Talence Cedex, France.
Abstract:
A combination of Raman scattering spectroscopy and infrared absorption was applied to investigate the structural evolution of water dissolved in supercritical carbon dioxide under isobaric heating (T=40-340 degrees C, P=250 bar). Quantitative analysis of experimental spectra allowed us to determine that at relatively moderate temperatures water dissolved in CO(2)-rich phase exists only under monomeric form (solitary water surrounding by CO(2) molecules), but hydrogen-bonded species, namely, dimers, begin to appear upon heating. At the same time, the ratio of dimers to monomers concentration increases with further temperature increase and at temperatures close to the temperature of total miscibility of the mixture (T=366 degrees C, P=250 bar), water dimers only are present in the CO(2)-rich phase.
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