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Abstract <p>Cu/SiO<sub>2</sub> catalysts modified with different Ca loadings were prepared by the coprecipitation method, and their performances in the dehydrogenation reaction of <i>sec</i>-butanol (SBA) to methyl ethyl ketone (MEK) were evaluated. The catalysts were characterized by XRD, H<sub>2</sub>-TPR, CO<sub>2</sub>-TPD, ICP-OES, HRTEM, XPS, and XAES and theoretical calculations on the catalytic process were performed to reveal the catalytic mechanism. The results show that the catalyst exhibits the highest activity when the Cu loading is 5.8% and the Ca loading is 14.1%, with a <i>sec</i>-butanol conversion of 99.1% and methyl ethyl ketone selectivity of 96.3%. The catalyst characterization results indicate that the addition of appropriate Ca to the Cu/SiO<sub>2</sub> catalyst can improve the dispersion of Cu species and inhibit the agglomeration of copper species. The interaction between Cu and Ca species helps the catalyst to maintain an appropriate molar ratio of <i>n</i>(Cu<sup>+</sup>)/<i>n</i>(Cu<sup>0</sup> + Cu<sup>+</sup>), thereby endowing the catalyst with higher activity. The DFT calculation results indicate that the addition of calcium promotes the adsorption of active sites for <i>sec</i>-butanol, methyl ethyl ketone, and hydrogen atom. The enhanced adsorption capacity for methyl ethyl ketone does not lead to a decrease in selectivity, indicating that the adsorption of <i>sec</i>-butanol is the key to the reaction compared to the desorption of methyl ethyl ketone when Cu–Ca/SiO<sub>2</sub> catalyst is used.</p>

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Preparation and Application of Cu–Ca/SiO2 Catalyst in Dehydrogenation of sec-Butanol

  • 期刊论文

  • 发表日期：

    2025年10月16日

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  • Li Zhang,
  • Xuan-Yuan Wang,
  • Si-Yuan Wang,
  • Bing-Rui He,
  • Ying Zhang

摘要

Abstract

Cu/SiO2 catalysts modified with different Ca loadings were prepared by the coprecipitation method, and their performances in the dehydrogenation reaction of sec-butanol (SBA) to methyl ethyl ketone (MEK) were evaluated. The catalysts were characterized by XRD, H2-TPR, CO2-TPD, ICP-OES, HRTEM, XPS, and XAES and theoretical calculations on the catalytic process were performed to reveal the catalytic mechanism. The results show that the catalyst exhibits the highest activity when the Cu loading is 5.8% and the Ca loading is 14.1%, with a sec-butanol conversion of 99.1% and methyl ethyl ketone selectivity of 96.3%. The catalyst characterization results indicate that the addition of appropriate Ca to the Cu/SiO2 catalyst can improve the dispersion of Cu species and inhibit the agglomeration of copper species. The interaction between Cu and Ca species helps the catalyst to maintain an appropriate molar ratio of n(Cu+)/n(Cu0 + Cu+), thereby endowing the catalyst with higher activity. The DFT calculation results indicate that the addition of calcium promotes the adsorption of active sites for sec-butanol, methyl ethyl ketone, and hydrogen atom. The enhanced adsorption capacity for methyl ethyl ketone does not lead to a decrease in selectivity, indicating that the adsorption of sec-butanol is the key to the reaction compared to the desorption of methyl ethyl ketone when Cu–Ca/SiO2 catalyst is used.