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On the Effect of Initial Conditions in Viedma Ripening

机译：初始条件对Viedma成熟的影响

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摘要

The chiral separation process known as Viedma ripening, or attritionenhanced deracemization, is a crystallization-based process that can convert a racemic solid phase to an enantiomerically pure one. This process relies on several interacting mechanisms and is influenced by thermodynamic and kinetic factors as well as by the initial conditions of the experiment, sometimes making the interpretation of experimental results difficult. In this work, we use the mathematical model of the process that we have developed previously to explain the large variations in terms of outcome and process time observed in many experiments and to discuss them in detail in terms of the effect of the initial conditions. We show that the direction of evolution can be predicted by the model and depends on the asymmetries present in the initial particle populations. The process time is shown to be very sensitive to the initial conditions when the system is not clearly biased toward one enantiomer. This analysis shows that the lack of reproducibility of some Viedma ripening experiments can at least partially be explained by the high sensitivity of the process to the initial conditions and can be prevented by a careful choice of the initial conditions. Finally, our results are discussed in light of the practical application of Viedma ripening.
机译：手性分离过程称为Viedma成熟或减磨强化脱硫，是一种基于结晶的过程，可将外消旋固相转化为对映体纯相。该过程依赖于几种相互作用的机制，并且受热力学和动力学因素以及实验的初始条件的影响，有时使对实验结果的解释变得困难。在这项工作中，我们使用先前开发的过程的数学模型来解释在许多实验中观察到的结果和过程时间方面的巨大差异，并就初始条件的影响进行详细讨论。我们表明，演化方向可以由模型预测，并取决于初始粒子总体中存在的不对称性。当系统没有明显偏向一种对映异构体时，处理时间显示出对初始条件非常敏感。该分析表明，某些Viedma成熟实验缺乏可重复性，至少可以部分地通过该过程对初始条件的高度敏感性来解释，并且可以通过谨慎选择初始条件来避免。最后，根据Viedma成熟的实际应用讨论了我们的结果。

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