Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

Meitang Jin; Zhao Xu; Ying Bao; Long Li; Liping Wang; Haijiao Lu; Chuang Xie; Hongxun Hao

doi:10.1016/j.cjche.2018.07.016

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Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

Catalysis, Kinetics and Reaction Engineering | Updated：2026-01-06

- Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures
- Chinese Journal of Chemical Engineering Vol. 27, Issue 2, Pages: 362-368(2019)
- Affiliations：
  
  2 Collaborative Innovation Centre of Chemical Science and Engineering,Tianjin,China,300072
- Author bio：
- Funds：
- DOI：10.1016/j.cjche.2018.07.016
  CLC：
- Published：2019
- Accepted：
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Meitang Jin, Zhao Xu, Ying Bao, Long Li, Liping Wang, Haijiao Lu, Chuang Xie, Hongxun Hao. Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures[J]. Chin.J.Chem.Eng., 2019, 27(2): 362-368.
DOI：

Meitang Jin, Zhao Xu, Ying Bao, Long Li, Liping Wang, Haijiao Lu, Chuang Xie, Hongxun Hao. Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures[J]. Chin.J.Chem.Eng., 2019, 27(2): 362-368. DOI： 10.1016/j.cjche.2018.07.016.

摘要

Abstract

Omeprazole sodium (OMS)

a typical non-hydrogen bond donors API

is only available in solvates so far

including monohydrate

ethanol solvate and methanol solvate. The methanol solvate was found for the first time. Solvate transformation thermodynamics of OMS was studied in this paper. First

the ternary phase diagrams forming two solvates for OMS in binary solvent mixtures including methanol + water

ethanol + water

and methanol + ethanol were measured at temperature ranging of T=(278.15 to 313.15) K under atmospheric pressure. Further

the standard equilibrium constants of the solvate transformation reactions were evaluated according to the chemical reaction isothermal equation. The standard molar Gibbs free energy

the standard molar enthalpy

and the standard molar entropy of solvate transformation reactions were then calculated based on van't Hoff equation. Moreover

the thermodynamic stability of the OMS solvate was analyzed based on phase diagram. The results are of great importance to develop a crystallization process for manufacturing OMS solvate

and could be helpful to other solvate transformation research.

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