Scholarlink

Abstract <p>As crucial additives and solvents in organic synthesis, the efficient separation of the cyclohexane + 1-propanol azeotropic system holds significant industrial importance. This study systematically evaluates the separation efficiency of ionic liquids for this azeotropic system using the COSMO-RS model. First, a database containing 364 ionic liquids was constructed by combining 26 anions with 14 cations, from which the high-performance extractant C5A20 was selected. Subsequently, vapor-liquid phase equilibrium experiments verified the reliability of the model predictions, demonstrating that the azeotropic point completely disappears when the mole fraction of C5A20 reaches 0.02. Further analysis through σ-profiles and hydrogen bonding interactions revealed the selective separation mechanism of C5A20 towards 1-propanol, providing molecular-level theoretical insights for the rational design of efficient ionic liquid extractants.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Study on the Separating of Cyclohexane + 1-Propanol Azeotrope System by Using Ionic Liquid Extractants

  • 期刊论文

  • 发表日期：

    2025年12月1日

查看全文
  • Liu Xue-guo,
  • Huang Yao-fei,
  • Guo Yi-Xin,
  • Li Huan-xin

摘要

Abstract

As crucial additives and solvents in organic synthesis, the efficient separation of the cyclohexane + 1-propanol azeotropic system holds significant industrial importance. This study systematically evaluates the separation efficiency of ionic liquids for this azeotropic system using the COSMO-RS model. First, a database containing 364 ionic liquids was constructed by combining 26 anions with 14 cations, from which the high-performance extractant C5A20 was selected. Subsequently, vapor-liquid phase equilibrium experiments verified the reliability of the model predictions, demonstrating that the azeotropic point completely disappears when the mole fraction of C5A20 reaches 0.02. Further analysis through σ-profiles and hydrogen bonding interactions revealed the selective separation mechanism of C5A20 towards 1-propanol, providing molecular-level theoretical insights for the rational design of efficient ionic liquid extractants.