Experimental Estimation of Primary and Secondary Nucleation Kinetics of Antisolvent Crystallization As Measured by Induction Time,Organic Process Research & Development

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Experimental Estimation of Primary and Secondary Nucleation Kinetics of Antisolvent Crystallization As Measured by Induction Time
Organic Process Research & Development ( IF 3.1 ) Pub Date : 2019-11-15 , DOI: 10.1021/acs.oprd.9b00395
Takanori Kodera ₁ , Masanori Kobari ₂ , Izumi Hirasawa ₃

Affiliation

Methodologies for the estimation of nucleation rate parameters, which are rate constants and orders in antisolvent crystallization, are proposed with the aim of applying to the pharmaceutical industry. Primary and secondary nucleations are clearly distinguished and these rates are defined as power laws of the supersaturation in our antisolvent crystallization model. Primary nucleation rate parameters were experimentally determined using the theoretical equation about the modified induction time in antisolvent crystallization based on the past study reported by Kubota, N. [ J. Cryst. Growth 2010, 312, 548–554], in which the induction time is defined as the time when the number density of the crystal reaches a fixed value. It is difficult to estimate the number density at the detection point using an experimental approach. Therefore, a numerical approach was used to determine the number density. The estimated number density at the detection point can determine the secondary nucleation rate parameters. These determined nucleation rate parameters become effective factors for simulating the number mean diameter in antisolvent crystallization and can be applied to the pharmaceutical industry.

中文翻译：

通过诱导时间测量的反溶剂结晶的一次和二次成核动力学的实验估算

提出了用于估计成核速率参数的方法，所述成核速率参数是抗溶剂结晶中的速率常数和阶数，旨在应用于制药工业。可以清楚地区分一次和二次成核，并且在我们的反溶剂结晶模型中，将这些速率定义为过饱和的幂定律。在以往研究的基础上，利用关于反溶剂结晶的改进诱导时间的理论方程，通过实验确定了初级成核速率参数。北久保田[ J. Cryst。生长 2010，312，548-554]，其中，所述感应时间被定义为当晶体的数密度达到一定值的时间。使用实验方法很难估计检测点的数量密度。因此，使用数值方法来确定数字密度。在检测点处的估计数量密度可以确定二次成核速率参数。这些确定的成核速率参数成为模拟反溶剂结晶中的数均直径的有效因素，并且可以应用于制药工业。

更新日期：2019-11-17

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