Nucleation behavior of eszopiclone-butyl acetate solutions from metastable zone widths

Xu, Shijie; Wang, Jingkang; Zhang, Keke; Wu, Songgu; Liu, Shiyuan; Li, Kangli; Chen, Yuanfu; Gong, Junbo

doi:10.1016/j.ces.2016.08.016

Cited by 63 publications

(68 citation statements)

References 39 publications

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“…It is observed from Sangwal's theory that the nucleation parameters are controlled by both T 0 and T 1 . To further simplify Sangwal's model, Equation ( 3) can be modified as follows [23]:…”

Section: Modified Sangwal Metastable Zone Modelmentioning

confidence: 99%

Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width

et al. 2022

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The metastable zone width (MSZW) of p-methoxybenzoic acid (PMBA) in an ethanol-water system was measured using the polythermal method. The nucleation order m obtained by the Nývlt’s model indicates the nucleation of PMBA following a progressive nucleation mechanism at low saturation temperature (m = 3.18–7.50) and an instantaneous nucleation mechanism at high saturation temperature (m = 1.46–2.55). Then, combined with the metastable zone experiment and the Sangwal model, we found that the MSZW and the interfacial energy reached the maximum when the mass fraction of ethanol was 0.8, which resulted in the smallest crystal product size. Meanwhile, the maximum and obtained based on the modified Sangwal model indicating the PMBA needs to overcome a higher nucleation barrier in the ethanol mass fraction of 0.8. Finally, we proposed a preferential strategy for adjusting MSZW by correlating the interfacial energy with the change in ethanol mass fraction, saturation temperature, and cooling rate, respectively.

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Section: Modified Sangwal Metastable Zone Modelmentioning

confidence: 99%

Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width

et al. 2022

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“…where K is a nucleation constant and n is a nucleation order. Referring to the regular solution theory [13], the relationship between the supersaturation ratio and the maximum temperature difference can be written using Eq. ( 2):…”

Section: Self-consistent Nyvlt-like Approachmentioning

confidence: 99%

“…Other factors such as sample sizes, agitation rates, and amount of impurities are less frequently included [6][7][8][9][10]. Different experimental approaches have been reported for determining the MSZW, such as the polythermal method based on the measurements of the maximum super cooling, ΔT max , at different cooling rates [11][12][13]. This strategy has proved to be reliable when the operation conditions are well controlled.…”

Section: Introductionmentioning

confidence: 99%

Determination of Primary Nucleation Kinetics of Acetylsalicylic Acid in Ethanol

et al. 2022

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The metastable zone width (MSZW) for the acetylsalicylic acid-ethanol system was determined by the polythermal method. Nucleation parameters were calculated applying the self-consistent Nyvlt-like approach and the classical threedimensional theory approach. The results showed the usual increments in MSZW with increases in the cooling rate, mixed effects when raising the agitation rates, and an unusual behavior that reduced MSZW when the saturation temperature decreased. The apparent nucleation order proved to be independent of all three analyzed variables. The interfacial energy increased with higher saturation temperature and activation energies incremented when agitation rates raised. In general, the two approaches explained closely the experimental results.

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“…The metastable zone width (MSZW) [ 1 ] of solutions, which refers to the interval between the solubility and supersolubility curves under certain conditions, is one of the basic research contents of industrial crystallization and a crucial parameter for crystallization nucleation behavior. [ 2,3 ] It depends on various factors, such as saturation temperature, cooling rate, agitation, and additives.…”

Section: Introductionmentioning

confidence: 99%

Effect of Sodium Sulfate on Nucleation Behavior and the Crystal Morphology of Taurine

Zhang

Luo

et al. 2020

Crystal Research and Technology

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Two theoretical methods, self‐consistent Nývlt‐like approach and Sangwal's classical 3D nucleation theory‐based method, are employed to analyze the effects of additives (sodium sulfate) on the nucleation behavior of taurine. By correlating the measured metastable zone width of taurine containing different sodium sulfate concentrations, with saturation temperature and cooling rate, nucleation kinetic parameters in both two methods are determined. Fitting results demonstrate that higher sodium sulfate concentration results in the increase of solid–liquid interfacial energy γ, contrarily higher saturation temperature has the opposite effect thus changing of nucleation rate. The molecular modeling techniques are then applied to investigate the changes in the morphology of taurine which caused by the presence of sodium sulfate. Through molecular dynamic simulations, the interaction energy of sodium sulfate with taurine crystal faces are obviously larger than those of taurine and these differences on the (011) and (11‐1) are more significant than those on (021) and (111) faces. As a result, the growth of (011) and (11‐1) faces is inhibited and the morphology of taurine crystal is modified from needle to columnar. The influence of sodium sulfate on taurine studied in this work provides theoretical guidance for industrial production.

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Nucleation behavior of eszopiclone-butyl acetate solutions from metastable zone widths

Cited by 63 publications

References 39 publications

Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width

Insight into the Nucleation Mechanism of p-Methoxybenzoic Acid in Ethanol-Water System from Metastable Zone Width

Determination of Primary Nucleation Kinetics of Acetylsalicylic Acid in Ethanol

Effect of Sodium Sulfate on Nucleation Behavior and the Crystal Morphology of Taurine

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