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<p>2,4,6-Trinitrotoluene, as a classical energetic material, exhibits dissolution behavior that permeates every critical stage—from production purification and formulation processing to environmental migration. To address the existing gap in fundamental physicochemical data for TNT in mixed-solvent systems, this study systematically measured the solubility of TNT in binary mixed solvents composed of pyridine and ethanol across a temperature range of 293.15 to 333.15&#xa0;K. The experimental results indicate that the solubility of TNT increases with rising temperature and follows a regular trend with variations in solvent composition at constant temperature. To gain deeper insight into the dissolution thermodynamics and to establish predictive models, the experimental data were correlated and fitted using the modified Apelblat model, the van’t Hoff model, the Yaws model, and the CNIBS/R‑K model. All models demonstrated excellent fitting accuracy, confirming their capability to describe the phase equilibrium behavior of this system. This work not only provides comprehensive experimental phase equilibrium data for the system, but also offers model-based support for the development of TNT related processes, solvent screening, and environmental risk assessment.</p>

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Measurement and Thermodynamic Modeling of 2,4,6-Trinitrotoluene Solubility in Pyridine + Ethanol Mixed Solvents

  • 期刊论文

  • 发表日期：

    2026年3月3日

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  • Bo Wang,
  • Qiang Liu,
  • Cong-chao He,
  • Jing-ye Jia,
  • Jun Chen,
  • Li-zhen Chen,
  • Jian-long Wang

摘要

2,4,6-Trinitrotoluene, as a classical energetic material, exhibits dissolution behavior that permeates every critical stage—from production purification and formulation processing to environmental migration. To address the existing gap in fundamental physicochemical data for TNT in mixed-solvent systems, this study systematically measured the solubility of TNT in binary mixed solvents composed of pyridine and ethanol across a temperature range of 293.15 to 333.15 K. The experimental results indicate that the solubility of TNT increases with rising temperature and follows a regular trend with variations in solvent composition at constant temperature. To gain deeper insight into the dissolution thermodynamics and to establish predictive models, the experimental data were correlated and fitted using the modified Apelblat model, the van’t Hoff model, the Yaws model, and the CNIBS/R‑K model. All models demonstrated excellent fitting accuracy, confirming their capability to describe the phase equilibrium behavior of this system. This work not only provides comprehensive experimental phase equilibrium data for the system, but also offers model-based support for the development of TNT related processes, solvent screening, and environmental risk assessment.