许青青,苏宝根,陈蔚,杨亦文,任其龙

• 1:浙江大学生物质化工教育部重点实验室
• 2:浙江大学化学工程与生物工程学系
• 3:衢州学院化学与材料工程学院

摘要(Abstract)：

实验测定了链甾醇在正己烷、丁酮、正丁醇、DMSO、乙酸等五种有机溶剂中的溶解度,填补溶解度数据空白。采用理想溶液、Apelblat和COSMO-RS模型对链甾醇的溶解度进行了关联和预测,通过平均相对偏差(ARD)评价各模型的关联或预测效果。理想溶液和Apelblat模型对实验数据关联的ARD均小于11.0%,但都没有预测新系统溶解度的能力。COSMO-RS预测结果误差大。通过改进,预测时输入一个实验数据,结果预测值与实验值吻合得较好,总的ARD从304.30%降为26.98%。上述结果表明只需一个实验数据的COSMO-RS(ref)可用于链甾醇溶解度的预测,为工业分离纯化过程中的溶剂快速筛选提供重要的理论依据。

关键词(KeyWords)： 链甾醇;溶解度;COSMO-RS;COSMO-RS(ref)

Abstract:

Keywords:

基金项目(Foundation): 国家“十二五”科技支撑计划项目(2011BAD23B03);; 国家自然科学基金重点项目(20936005)资助

作者(Author): 许青青,苏宝根,陈蔚,杨亦文,任其龙

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