Solid—liquid equilibrium and yield correlation model of melt crystallization of dimethylphenol isomer mixtures

Zhang Yuxi; Yang Li; Ma Yixin; Zhang Yan; Cao Junya; Cheng Jingcai; Yang Chao

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Solid—liquid equilibrium and yield correlation model of melt crystallization of dimethylphenol isomer mixtures

Updated：2026-03-13

- Solid—liquid equilibrium and yield correlation model of melt crystallization of dimethylphenol isomer mixtures
- Chinese Journal of Chemical Engineering Vol. 89, Issue 1, Pages: 112-122(2026)
- Affiliations：
  
  School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083, China
  State Key Laboratory of Petroleum Molecular & Process Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
  School of Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
- Author bio：
  
  Corresponding authors. E-mail addresses: yangli@ipe.ac.cn(L. Yang)
  jccheng@ipe.ac.cn(J. Cheng).
- Funds：
- DOI：
  CLC：
- Received：23 May 2025，
  
  Revised：2025-08-20，
  
  Accepted：21 August 2025，
  
  Online First：12 September 2025，
  
  Published：2026-01
- Accepted：
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Zhang Yuxi, Yang Li, Ma Yixin, et al. Solid—liquid equilibrium and yield correlation model of melt crystallization of dimethylphenol isomer mixtures[J]. Chinese Journal of Chemical Engineering, 2026, 89(1): 112-122.
DOI：

Zhang Yuxi, Yang Li, Ma Yixin, et al. Solid—liquid equilibrium and yield correlation model of melt crystallization of dimethylphenol isomer mixtures[J]. Chinese Journal of Chemical Engineering, 2026, 89(1): 112-122. DOI：

摘要

Abstract

Dimethylphenols serve as important intermediates in synthesizing pharmaceuticals and agrochemicals

yet traditional distillation struggles to separate their isomers due to minimal boiling point differences

and the development of melt crystallization is hampered by lacking solid—liquid equilibrium (SLE) data for some isomers. Therefore

the SLE data of both binary and ternary mixtures of 2

3-dimethylphenol (2

3-DMP)

5-dimethylphenol (3

5-DMP)

and 3

4-dimethylphenol (3

4-DMP) were determined by using differential scanning calorimetry in this work. Additionally

crystallographic analysis was conducted to investigate the thermodynamic characteristics of these mixtures. The experimental results indicated that all the systems investigated in this research exhibited eutectic behavior. The experimentally obtained SLE data were well correlated with the Wilson and non-random two-liquid models. The excess thermodynamic functions were calculated to analyze the types and intensities of the molecular interactions occurring in the mixtures. Furthermore

this study developed a model for the correlation between the theoretical crystallization yield and the actual cooling yield and final yield in melt crystallization. This study has furnished reliable data essential for developing and optimizing the melt crystallization process of mixtures of 2

3-DMP

5-DMP

and 3

4-DMP.

关键词

Keywords

references

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