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Nucleation of butyl paraben in different solvents

机译：对羟基苯甲酸丁酯在不同溶剂中的成核

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The primary nucleation induction time of butyl paraben in pure solvents: acetone, ethyl acetate, methanol, ethanol, and propanol and in 70% and 90% ethanol aqueous mixtures has been determined. At each condition, about 100 experiments have been performed in 5 mL scale to capture the statistics of the nucleation process. The induction times at each condition show a wide variation. The data has been evaluated within the framework of the classical nucleation theory using several of the current approaches. Overall, the data obtained from the different methods of evaluation are surprisingly consistent. At comparable driving forces, nucleation is clearly fastest in acetone and slowest in propanol, with methanol, ethyl acetate, and ethanol in between. Adding water to the ethanol leads to a clear reduction in the nucleation rate. The solid-solution interfacial energy of butyl paraben in the different solvents decreases in the order: 70% ethanol > 90% ethanol > propanol > ethanol > ethyl acetate > methanol > acetone, which is surprisingly well-correlated to a decreasing solvent boiling point. It is shown that the same trend can be found for other systems in the literature. With the assumption that the stronger the bonding in the bulk phases, the higher the interfacial energy becomes, this observation is paralleled by the fact that a metastable polymorph has a lower interfacial energy than the stable form and that a solid compound with a higher melting point appears to have a higher solid-melt and solid-solution interfacial energy.
机译：已经确定了对羟基苯甲酸丁酯在纯溶剂：丙酮，乙酸乙酯，甲醇，乙醇和丙醇中以及在70％和90％的乙醇水溶液中的一次成核诱导时间。在每种条件下，已经以5 mL的规模进行了约100次实验，以获取成核过程的统计数据。每种条件下的诱导时间显示出很大的差异。已使用几种当前方法在经典成核理论的框架内对数据进行了评估。总体而言，从不同评估方法获得的数据出奇地一致。在相当的驱动力下，显然在丙酮中成核最快，而在丙醇中成核最慢，中间是甲醇，乙酸乙酯和乙醇。将水加到乙醇中会明显降低成核速率。对羟基苯甲酸丁酯在不同溶剂中的固溶界面能按以下顺序降低：70％乙醇> 90％乙醇>丙醇>乙醇>乙酸乙酯>甲醇>丙酮，这与溶剂沸点降低令人惊讶地相关。结果表明，文献中的其他系统也存在相同的趋势。假设在本体相中键合越强，界面能就越高，这一观察结果与以下事实相平行：亚稳态多晶型物的界面能比稳定形式低，而固态化合物的熔点更高似乎具有更高的固溶体和固溶体界面能。

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