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首页> 外文期刊>Crystal growth & design >Nucleation and Growth Kinetics of (R)-Mandelic Acid from Aqueous Solution in the Presence of the Opposite Enantiomer
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Nucleation and Growth Kinetics of (R)-Mandelic Acid from Aqueous Solution in the Presence of the Opposite Enantiomer

机译：对映异构体存在下水溶液中（R）-扁桃酸的成核和生长动力学

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摘要

Resolution of mandelic acid (MA), a racemic compound, is presented in this article using direct crystallization from enantiomeric enriched water solutions. Final crystals with enantiomeric excess (ee) of (R)-MA higher than 96.4% were obtained. Because of the presence of the opposite enantiomer ((S)-MA), it was reported that nucleation and growth of (R)-MA was inhibited at the initial stage of the experiment (Perlberg, et al. Ind. Eng. Chem. Res. 2005, 44, 1012?1020). In order to understand the nucleation and growth kinetics of (R)-MA in the presence of (S)-MA, batch crystallization experiments were performed for controlled linear cooling mode with various operating conditions. Nucleation and growth parameters were then estimated by nonlinear fitting the measured liquid concentrations obtained from the signals of in situ attenuated total reflectance infrared (ATR-IR) spectroscopy and online polarimetry with model predictions. The effects of supersaturation, seed amount, cooling rate, and the presence of opposite enantiomer on the growth and nucleation rate of (R)-MA were discussed.
机译：本文使用富含对映体的水溶液直接结晶，提出了一种消旋化合物扁桃酸（MA）的拆分方法。得到具有（R）-MA的对映体过量（ee）高于96.4％的最终晶体。由于存在相反的对映异构体（（S）-MA），据报道在实验的初始阶段（R）-MA的成核和生长受到抑制（Perlberg等，Ind.Eng.Chem。 （Res.2005，44，1012？1020）。为了了解在（S）-MA存在下（R）-MA的成核和生长动力学，在各种操作条件下对受控的线性冷却模式进行了批结晶实验。然后通过非线性拟合从原位衰减全反射红外（ATR-IR）光谱和在线极化仪信号获得的测量液体浓度与模型预测来估计成核和生长参数。讨论了过饱和度，种子数量，冷却速率和相反对映体的存在对（R）-MA生长和成核速率的影响。

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