基于修正附着能模型的不同溶剂环境的磷酸奥司他韦晶体生长研究

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中图分类号：R917 文献标志码：A 文章编号：1673-3851（2025）09-0597-08

Reference Format： ZHOU Wangting，WEI Yujing，CHEN Dezhen，et al. Research on crystal growth of oseltamivir phosphate in diferentsolvent environments basedonmodifiedattchment energymodelsJ].Journalof Zhejiang Sci-Tech University，2025，53（5） ：597-604.

Research on crystal growth of oseltamivir phosphate in different solvent environments based on modified attachment energy models

ZHOU Wangting ，WEI Yujing ，CHEN Dezhen，ZHANG Guoqing （School of Materials Science 8. Engineering，Zhejiang Sci-Tech University，Hangzhou 31oO18，China

Abstract： To investigate the effect of different solvent systems on the crystal growth of oseltamivir phosphate， the crystal morphology of oseltamivir phosphate in vacuum， acetone and acetonitrile environments was calculated by constructing modified atachment energy models. The recrystalization experiments were also carried out in the corresponding solvent environment， and X-ray powder diffractometer，scanning electron microscope，and particle and powder characterization analyzer were used to characterize the crystal structure，microscopic morphology，and powder properties of the crystalline products. The results showed that the dominant crystal planes determining the crystal habit of oseltamivir phosphate under vacuum conditions were（1 1 O） and （O O 1），with attachment energies of -42.49kcal/ mol and ， respectively. The crystal habit changes of oseltamivir phosphate under different solvent conditions were significantly different，with all the crystal habits being rectangular prisms.The aspect ratio of the crystal habits in acetone was larger than that in acetonitrile，and the predicted crystal habits were in good agreement with the experimental results. The crystalline product recrystallized in acetonitrile had an angle of repose of 32.8∘ and a degree of compression of 37.4% ， indicating relatively good flow properties. This study shows that the effect of solvent on crystal growth and its morphology can be predicted by modifying the attchment energy model，and provides theoretical supportfor the regulation of crystal habits and solvent selection for oseltamivir phosphate in industrial production.

Key words： oseltamivir phosphate； morphological prediction； crystal growth； modified attachmenenergy model;crystal microstructure

0 引言

药物晶型和晶习与药物的理化性质及用药安全紧密相连，在创新药研究和仿制药开发领域具有重要意义。（剩余9576字）