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

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

机构地区：[1]School of Chemical Engineering and Technology, Tianjin University [2]Collaborative Innovation Centre of Chemical Science and Engineering

出　　处：《Chinese Journal of Chemical Engineering》2019年第2期362-368,共7页中国化学工程学报（英文版）

基　　金：Supported by the National Natural Science Foundation of China(21776203 and 21576187);the Tianjin Municipal Natural Science Foundation(18JCYBJC21100)

摘　　要：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.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.

关 键 词：OMEPRAZOLE sodium SOLVATE PHASE EQUILIBRIA TERNARY PHASE diagram Chemical reaction THERMODYNAMICS 

分 类 号：TQ[化学工程]