Article
Crystallography
Zhirong Chen, Rongfan Zhou, Hong Yin, Shenfeng Yuan
Summary: The metastable zone width (MSZW) of DL-methionine aqueous solution for unseeded batch crystallization was measured by turbidity method. The spontaneous nucleation curves at different stirring rates and cooling rates were obtained. The results show that the increase in saturation temperature and stirring rate makes the MSZW narrower, while the increase in cooling rate widens the MSZW due to a time lag between nucleation and turbidity detection. These data are important for controlling crystallization in production and the nucleation kinetics was also studied.
JOURNAL OF CRYSTAL GROWTH
(2023)
Article
Biochemistry & Molecular Biology
Lie-Ding Shiau
Summary: A linearized integral model is used in this study to determine the interfacial energy and pre-exponential factor. The results show that the calculated values from different methods are consistent for the studied systems.
Article
Crystallography
Josia Tonn, Aishe Grotjohann, Christian Kocks, Andreas Jupke
Summary: Scandium, a critical raw material according to the EU, has low availability but increasing demand. Bauxite residue can be a potential European source. A novel anti-solvent crystallization process is developed to extract scandium from the residue, but it faces challenges in solid-liquid separation due to the formation of small crystals. By studying nucleation kinetics and varying operating parameters, the boundaries for controlling the crystallization process and crystal growth are explored.
Article
Crystallography
Keshra Sangwal
Summary: Based on classical nucleation theory, final equations regarding the metastable zone width were derived using three deterministic approaches, which were then applied to analyze experimental data from different systems. The analysis compared and discussed trends in nucleation kinetic parameters values obtained from the deterministic integral nucleation model and the conventional stochastic theory. Results showed that the solute-supply approach could explain the dependency of solutions' Delta T-m values on cooling rate at different saturation temperatures and estimate nucleation parameters, while relatively low values of the solid-solution interfacial solution gamma(eff) suggested crystallization by heterogeneous nucleation. The nature of nucleation encountered in the MSZW measurements by the polythermal method was also discussed.
JOURNAL OF CRYSTAL GROWTH
(2021)
Article
Engineering, Chemical
Jianxin Zhang, Marjatta Louhi-Kultanen
Summary: The metastable zone width (MSZW) and induction time of CoSO4 in the presence of H2SO4 were measured, and the solubility of CoSO4 was determined using Raman spectroscopy and UV-Vis. Nucleation parameters were estimated using a self-consistent Nyvlt-like approach and classical 3D theory. The results showed that the solubility of CoSO4 decreased with increasing H2SO4 concentration, and the MSZW decreased with higher saturation temperature, mixing speed, H2SO4 concentration, and lower cooling rate. The induction time measurement indicated homogeneous nucleation at high supersaturation and heterogeneous nucleation at low supersaturation. The crystallized product had different shapes depending on the presence of H2SO4, and particle sizes were smaller with higher H2SO4 concentration and cooling rate.
Article
Chemistry, Multidisciplinary
Andrew Cashmore, Russell Miller, Hikaru Jolliffe, Cameron J. Brown, Mei Lee, Mark D. Haw, Jan Sefcik
Summary: This article presents an experimental workflow for the rapid assessment of primary and secondary nucleation and crystal growth kinetics under supersaturation conditions. By conducting experiments, researchers can quantify and analyze the effects of supersaturation on the nucleation and growth kinetics of α-glycine in aqueous solutions at isothermal conditions. This approach provides a means to estimate the absolute values of nucleation and growth rates and gain insights into crystallization behavior, which can be used to optimize batch or continuous crystallization processes.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Physical
Jiayu Zhao, Qi Zhang, Yizhen Yan, Yunna Xue, Xiangyang Zhang
Summary: Barbituric acid-urea co-crystal (BAUR) was synthesized as an intermediate for sedative drugs, addressing the poor solubility of barbituric acid (BA) and improving its physicochemical properties and bioavailability. The phase diagram of BAUR-I was measured to determine the limit concentration of urea, and experiments were conducted to investigate the effects of cooling rates and urea concentrations during nucleation. The nucleation process was simulated using two different approaches, and it was concluded that increasing the concentration of urea widens the metastable region and inhibits the nucleation of form I in cooling crystallization.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Review
Chemistry, Multidisciplinary
Cedric Devos, Tom Van Gerven, Simon Kuhn
Summary: Determination of the experimental nucleation rate for crystallization in solution is crucial for improving industrial crystallization processes and understanding nucleation mechanisms. While large-volume batch crystallizer models have been widely studied in the past, recent developments in microfluidic platforms have opened new pathways for understanding nucleation on a molecular level.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Physical
Yuechao Cao, Tuo Yao, Guimin Zhang, Zongyi Zhou, Lihai Zhai, Songgu Wu
Summary: This study investigates the nucleation behavior of isosorbide 5-mononitrate (5-ISMN) in different solvent systems and finds that the saturation temperature and chemical potential competitively affect the nucleation rate.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
S. J. Coles, D. Robinson, A. Davesne, T. L. Threlfall
Summary: Statistical Design of Experiment methods were used to investigate the effects of 24 seeding parameters on crystallization cycles. Surprisingly, the mass or surface area of the seeds were found to be insignificant, while the method of stirring and reusing vessels were significant factors. These results can be explained by the single event and embryo coagulation mechanisms.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Crystallography
Lie-Ding Shiau
Summary: In this study, induction time and metastable-zone-width (MSZW) data for aqueous l-glycine solutions in the presence of l-arginine impurity were experimentally measured using a turbidity probe. Nucleation parameters were compared and the influences of lag time on these parameters were examined. The effects of l-arginine impurity concentration on the nucleation parameters were also investigated in detail based on both induction time and MSZW data.
Article
Engineering, Chemical
Soojin Kwon, Richard Lakerveld
Summary: Emulsion solution crystallization can achieve a narrow and predictable crystal size distribution (CSD) when the emulsion droplets are uniform. The crystallization performance is highly sensitive to the cooling profile, and the process behavior is consistent with a system dominated by primary nucleation. In contrast to bulk crystallization, secondary nucleation is suppressed in emulsion crystallization, resulting in a narrower CSD and lower crystal number density. The mean crystal length decreases as the batch time increases in emulsion crystallization.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Crystallography
Lie-Ding Shiau
Summary: By developing a linearized integral model that considers the combined effect of nucleation and growth rates on crystallite size distribution, this study determined nucleation parameters from the metastable zone width. The proposed model resulted in a lower value of the interfacial energy compared to the classical 3D nucleation theory approach, but exhibited a poorer fit to the data.
JOURNAL OF CRYSTAL GROWTH
(2021)
Article
Engineering, Chemical
Fanfan Shen, Lizhen Chen, Pengbao Lian, Jianlong Wang, Duanlin Cao
Summary: The equilibrium solubility, super solubility, and metastable zone width of 2,4-diaminobenzenesulfonic acid in the (H2SO4 + H2O) system were studied at elevated temperatures. The solubility dependence on temperature and solvent composition was analyzed using different correlation models. The results showed good agreement between the models and experimental values. The dissolution process of 2,4-diaminobenzenesulfonic acid was found to be endothermic. The solubility data and calculation models provided valuable information for the crystallization and purification of this compound.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Yun Cao, Keke Zhang, Zhenguo Gao, Jingkang Wang, Sohrab Rohani, Junbo Gong
Summary: The development of metastable form crystals of active pharmaceutical ingredients can improve the bioavailability of poorly soluble drugs. The study found that the solvent properties and silica pore size affect the polymorphic outcomes. The confined metastable form exhibited enhanced physical stability and a faster dissolution rate compared to the bulk form.
CRYSTAL GROWTH & DESIGN
(2022)
