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<p>Membrane separation has been extensively studied as a cost-effective CO<sub>2</sub> separation method, and polysilsesquioxane (PSQ)-based membranes are expected to be robust membranes with high thermal and mechanical stability and processability. In this study, a prediction model for CO<sub>2</sub> permeance and CO<sub>2</sub>/N<sub>2</sub> permselectivity as target variables was generated by applying machine learning to experimental data collected in our previous studies as explanatory variables. On the basis of this model, two new urea-containing PSQ-based membranes were prepared, and their CO<sub>2</sub> separation performance was evaluated. Among them, a membrane synthesized through the 1:1 copolymerization of (3,6-dioxaoctane-1,8-diyl)bis-<i>N</i>-[<i>N</i>’-(triethoxysilylpropyl)urea] and bis(triethoxysilyl)ethane demonstrated high performance, achieving a CO<sub>2</sub> permeance of 1.3 × 10<sup>–6 </sup>mol m<sup>–2</sup>s<sup>–1</sup>Pa<sup>–1</sup> (4.0 × 10<sup>3</sup> GPU) and a CO<sub>2</sub>/N<sub>2</sub> permselectivity of 13. A membrane was also prepared using (triethylamine-2,2’,2”-triyl)tris-<i>N</i>-[<i>N</i>’-(triethoxysillylpropyl)urea] as a monomer, which resulted in inferior CO<sub>2</sub> separation performance. However, increasing the calcination temperature significantly increased the CO<sub>2</sub> permeance, whereas the CO<sub>2</sub>/N<sub>2</sub> permselectivity slightly decreased, likely because of the thermal degradation of the urea units, resulting in the formation of void spaces.</p>

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Preparation of urea-containing polysilsesquioxane membranes for CO2 separation designed by model-based research

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年3月13日

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  • Yusuke Kanematsu,
  • Katsuhiro Horata,
  • Kazuki Hara,
  • Yohei Adachi,
  • Toshinori Tsuru,
  • Masakoto Kanezashi,
  • Joji Ohshita

摘要

Membrane separation has been extensively studied as a cost-effective CO2 separation method, and polysilsesquioxane (PSQ)-based membranes are expected to be robust membranes with high thermal and mechanical stability and processability. In this study, a prediction model for CO2 permeance and CO2/N2 permselectivity as target variables was generated by applying machine learning to experimental data collected in our previous studies as explanatory variables. On the basis of this model, two new urea-containing PSQ-based membranes were prepared, and their CO2 separation performance was evaluated. Among them, a membrane synthesized through the 1:1 copolymerization of (3,6-dioxaoctane-1,8-diyl)bis-N-[N’-(triethoxysilylpropyl)urea] and bis(triethoxysilyl)ethane demonstrated high performance, achieving a CO2 permeance of 1.3 × 10–6 mol m–2s–1Pa–1 (4.0 × 103 GPU) and a CO2/N2 permselectivity of 13. A membrane was also prepared using (triethylamine-2,2’,2”-triyl)tris-N-[N’-(triethoxysillylpropyl)urea] as a monomer, which resulted in inferior CO2 separation performance. However, increasing the calcination temperature significantly increased the CO2 permeance, whereas the CO2/N2 permselectivity slightly decreased, likely because of the thermal degradation of the urea units, resulting in the formation of void spaces.