Scholarlink

<p>Pyrrole is a representative nitrogen-containing heterocyclic compound in fuel oil. Its presence not only exacerbates pollutant emissions during combustion but also compromises the storage stability of the fuel oil. Deep eutectic solvent (DES) extraction is an effective technique for the extraction of nitrogen-containing heterocyclic compounds from hydrocarbon mixtures. In this study, the three types of quaternary ammonium salt-based deep eutectic solvents ([Tetramethylammonium chloride:1,2-propanediol] ([TC: PP]), [tetramethylammonium chloride: formic acid] ([TC: FA]), and [tetramethylammonium chloride: triethanolamine] ([TC: TA])) were synthesized. These DESs were synthesized for the extraction of pyrrole from fuel oil. The chemical structures of these DESs were characterized using ¹H NMR and FT-IR spectroscopy. The thermal decomposition temperatures of [TC: PP], [TC: FA], and [TC: TA] were determined by thermogravimetric analysis (TGA) and found to be 400&#xa0;K, 357&#xa0;K, and 348&#xa0;K, respectively. The extraction performance of pyrrole from model fuel oil using DESs as the extractants was systematically investigated. Under the optimized conditions, the extraction efficiency of pyrrole achieved by [TC: FA] reached 97.80%, while [TC: PP] and [TC: TA] only achieved 96.58% and 94.78%, showing the superior extraction performance of [TC: FA]. The separation mechanism of pyrrole extraction using [TC: FA] was investigated through spectroscopic analysis and molecular dynamics (MD) simulations. The efficient extraction of pyrrole by [TC: FA] was primarily attributed to the formation of strong hydrogen bonds between the chlorine atom in DES and the pyrrolic N-H hydrogen atom on the pyrrole ring. This specific intermolecular interaction served as the principal driving force for effective separation.</p> Graphical abstarct <p></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

Extraction performance and separation mechanism of pyrrole from fuel oil using deep eutectic solvents: experimental and simulation studies

  • 期刊论文

  • 发表日期：

    2026年6月29日

查看全文
  • Jian Wang,
  • Xin Wen,
  • Chengmiao Ma,
  • Xinyi Ge,
  • Yandan Niu

摘要

Pyrrole is a representative nitrogen-containing heterocyclic compound in fuel oil. Its presence not only exacerbates pollutant emissions during combustion but also compromises the storage stability of the fuel oil. Deep eutectic solvent (DES) extraction is an effective technique for the extraction of nitrogen-containing heterocyclic compounds from hydrocarbon mixtures. In this study, the three types of quaternary ammonium salt-based deep eutectic solvents ([Tetramethylammonium chloride:1,2-propanediol] ([TC: PP]), [tetramethylammonium chloride: formic acid] ([TC: FA]), and [tetramethylammonium chloride: triethanolamine] ([TC: TA])) were synthesized. These DESs were synthesized for the extraction of pyrrole from fuel oil. The chemical structures of these DESs were characterized using ¹H NMR and FT-IR spectroscopy. The thermal decomposition temperatures of [TC: PP], [TC: FA], and [TC: TA] were determined by thermogravimetric analysis (TGA) and found to be 400 K, 357 K, and 348 K, respectively. The extraction performance of pyrrole from model fuel oil using DESs as the extractants was systematically investigated. Under the optimized conditions, the extraction efficiency of pyrrole achieved by [TC: FA] reached 97.80%, while [TC: PP] and [TC: TA] only achieved 96.58% and 94.78%, showing the superior extraction performance of [TC: FA]. The separation mechanism of pyrrole extraction using [TC: FA] was investigated through spectroscopic analysis and molecular dynamics (MD) simulations. The efficient extraction of pyrrole by [TC: FA] was primarily attributed to the formation of strong hydrogen bonds between the chlorine atom in DES and the pyrrolic N-H hydrogen atom on the pyrrole ring. This specific intermolecular interaction served as the principal driving force for effective separation.

Graphical abstarct