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Insight into the nucleation behavior of tiamulin hydrogen fumarate methanol solvate in methanol-ethyl acetate binary mixtures
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2024-02-05 , DOI: 10.1016/j.molliq.2024.124179
Mingwang Mao , Yizhen Yan , Xinliang Chen , Xinggui Zhou , Xiangyang Zhang

To investigate the nucleation behavior of tiamulin hydrogen fumarate methanol solvate (THFMS), the solubility, induction time, and metastable zone width (MSZW) of THFMS in methanol-ethyl acetate binary mixtures were measured. The nucleation potential model, which is based on the classical nucleation theory and correlates the induction time and MSZW, has been employed to deal with the experimental data and estimate the interfacial energy and the critical nucleation potential. The estimated values determined from the nucleation potential model are in accordance with the experimental values. The interfacial energy and the critical nucleation potential of THFMS steadily decrease with the increasing saturation temperature, whereas those of THFMS initially decrease and subsequently increase as the ethyl acetate content increases. The results demonstrate that an increase in saturation temperature leads to enhanced nucleation favorability, while the difficulty of nucleation initially decreases and then increases with increasing ethyl acetate content. Furthermore, the critical nucleation parameters, including the critical Gibbs free energy, the critical nucleus size, and the critical number of molecules in a nucleus, exhibit the same trend in alterations regarding both saturation temperature and ethyl acetate content.

中文翻译:

深入了解泰妙菌素富马酸氢甲醇溶剂化物在甲醇-乙酸乙酯二元混合物中的成核行为

为了研究泰妙菌素富马酸氢甲醇溶剂化物 (THFMS) 的成核行为,测量了 THFMS 在甲醇-乙酸乙酯二元混合物中的溶解度、诱导时间和介稳区宽度 (MSZW)。成核势模型基于经典成核理论,将诱导时间与MSZW相关联,用于处理实验数据并估计界面能和临界成核势。由成核势模型确定的估计值与实验值一致。THFMS的界面能和临界成核势随着饱和温度的升高而稳定降低,而THFMS的界面能和临界成核势随着乙酸乙酯含量的增加先降低后升高。结果表明,饱和温度的升高导致成核有利性增强,而成核难度随着乙酸乙酯含量的增加先降低后增加。此外,临界成核参数,包括临界吉布斯自由能、临界核尺寸和核中分子的临界数量,在饱和温度和乙酸乙酯含量方面表现出相同的变化趋势。
更新日期:2024-02-05
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