基于COSMO-RS模型<em>L</em>-丙氨酸-<em>L</em>-谷胺酰胺结晶溶剂的筛选及其溶液热力学性质研究

摘要

利用真实溶剂似导体屏蔽模型(conductor-like screening model for real solvents,COSMO-RS)预测发现异丙醇可以作为L-丙氨酰-L-谷氨酰胺的结晶工艺中的优化溶剂,并通过实验加以验证;研究了L-丙氨酰-L-谷氨酰胺在水-异丙醇二元体系中从293.15 K至318.15 K的溶解度和相关溶液热力学性质;使用修正Apelblat方程,λh 方程, van't Hoff方程以及(NIBS) Redlich-Kister方程对溶解度数据进行拟合;通过水/异丙醇体系结合冷却-溶析耦合结晶工艺获得形态改善的L-丙氨酰-L-谷氨酰胺晶体。

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	陈燕鑫
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	陈巍

关键词： L-丙氨酰-L-谷氨酰胺；溶解度；热力学；结晶； COSMO-RS

Abstract：

The conductor-like screening model for real solvents (COSMO-RS) was used to predict appropriate solvent for the crystallization process of L-alanyl-L-glutamine in this paper. As a result of the prediction, isopropanol was applied to the process as the optimal solvent which was verified by experiments. The solubility data and solution thermodynamic properties of L-alanyl-L-glutamine were measured from 293.15 K to 318.15 K in the isopropanol-water binary systems. Then the modified Apelblat equation, λh equation, van't Hoff equation and (NIBS) Redlich-Kister equation were used to fit the solubility data. L-alanyl-L-glutamine crystals with improved shape were obtained by the combined cooling with anti-solvent crystallization process in isopropanol-water systems.

Keywords： N-(2)-L-alanyl-L-glutamine； solubility； thermodynamic； crystallization； COSMO-RS

Received 2014-04-22;

Corresponding Authors: 陈巍,E-mail:chenwei@tju.edu.cn。 Email: chenwei@tju.edu.cn

About author: 陈燕鑫(1988-)男,硕士,现从事工业结晶方面的研究。

引用本文:

陈燕鑫, 童赛, 张美景, 谢闯, 陈巍.基于COSMO-RS模型L-丙氨酸-L-谷胺酰胺结晶溶剂的筛选及其溶液热力学性质研究[J]. 化学工业与工程, 2016,33(3): 31-38

Chen Yanxin, Tong Sai, Zhang Meijing, Xie Chuang, Chen Wei.Solvent Screening via COSMO-RS Model and Measurement of Solution Thermodynamics for Crystallization of N-(2)-L-Alanyl-L-Glutamine[J]. Chemcial Industry and Engineering, 2016,33(3): 31-38

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