Solubility determination and correlation for spirotetramat in different solvent systems at T = 278.15–318.15 K

Yuan, Mengjie; Yuan, Peiquan; Liu, Bao‐Shu; Sun, Hua

doi:10.1016/j.jct.2022.106854

Cited by 5 publications

(4 citation statements)

References 36 publications

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“…However, with the further increase of the proportion of cosolvent, the interaction force between solvent molecules is gradually strengthened, and the interaction force between solute and solvent is gradually weakened, resulting in the decrease of solubility of phenol red. This phenomenon has also been mentioned in some related articles. − There is cosolvency between solvent and solute, which may be more related to the structure of solute. The hydrogen bond interaction between molecules is gradually strengthened, which weakens the interaction between phenol red and solvent and reduces the solubility.…”

Section: Results and Discussionmentioning

confidence: 82%

Solubility Determination and Analysis of Phenol Red in Monosolvent and Binary Mixed Solvent at T = 278.15–323.15 K

Cheng,

Zhang,

Yang

et al. 2023

J. Chem. Eng. Data

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The solubility and thermodynamic characteristics of phenol red were determined by the static equilibrium method combined with HPLC. The equilibrium solubility of phenol red in 12 monosolvents (methanol, ethanol, npropanol, isopropanol, n-butanol, isobutanol, acetonitrile, methyl acetate, ethyl acetate, DMF, water, and acetone) was measured at a temperature range of 278.15−323.15 K and a constant pressure of 101.1 kPa. The results showed that in the experimental temperature range, the solubility of phenol red is positively correlated with the temperature and reached the maximum and minimum values in DMF and isobutanol. Ethanol, acetonitrile, and water were randomly selected to form three groups of binary mixed solvents, the monosolvent with high solubility is used as the cosolvent in the binary mixed solvent, and the solubility data were measured under the same experimental conditions. Interestingly, in all binary mixed solvents, the solubility data of phenol red showed a trend of first increasing and then decreasing with the increase of the proportion of cosolvent. The Buchowski−Ksiazaczak λh model and Apelblat model were used to fit the solubility data of phenol red in monosolvent, and the average root mean square deviation (RMSD) values are 3.8775 × 10 −2 and 4.6592 × 10 −3 . The Jouyban−Acree model, CNIBS/R-K model, and Sun model were used to fit the solubility data of phenol red in binary mixed solvent, and the average RMSD values were 9.4265 × 10 −6 , 5.1215 × 10 −6 , and 9.4265 × 10 −6 . Furthermore, the solvation of phenol red was investigated by the KAT-LSER model. The results showed that the acidity of the hydrogen bond had a significant effect on the solubility, and the contribution rate was 35.5%.

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Section: Results and Discussionmentioning

confidence: 82%

Solubility Determination and Analysis of Phenol Red in Monosolvent and Binary Mixed Solvent at T = 278.15–323.15 K

Cheng,

Zhang,

Yang

et al. 2023

J. Chem. Eng. Data

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“…Spirotetramat has only been reported in two solid forms, amorphous and form I, which have been documented in the CCDC or patent databases . Although screening methods for crystal systems are comprehensive, − no other new crystal forms of spirotetramat have been reported in the literature to date.…”

Section: Introductionmentioning

confidence: 99%

“…Spirotetramat has only been reported in two solid forms, amorphous and form I, which have been documented in the CCDC or patent databases. 23 Although screening methods for crystal systems are comprehensive, 24−26 no other new crystal forms of spirotetramat have been reported in the literature to date. Melt crystallization combines a high driving force with low nucleation and growth rates, making it possible to access regions of the potential energy landscape that are inaccessible to solution growth.…”

Section: Introductionmentioning

confidence: 99%

Polymorphic Development Strategy for Rapid Pesticide Release: A Case Study of Spirotetramat

Han,

et al. 2024

Crystal Growth & Design

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Spirotetramat has been utilized extensively in the world for its long-lasting effects. However, since form I has been reported with the disadvantages of low solubility and poor pesticide release rate in the literature, systematic crystal form screening is urgently required. In this study, a new polymorph (form II) was discovered by melt crystallization, and its single crystal grew in melt microdroplets. In comparison to form I, form II is a metastable crystal form with a lower melting point and enthalpy as well as higher lattice energy. Its solubility is higher than that of form I. The increased solubility facilitates the release of pesticides at an accelerated rate. Furthermore, a series of stability experiments have shown that form II can maintain stability at room temperature and ambient humidity for more than 3 months. The form II crystals retain their stability even after grinding or heating. Meanwhile, the phase transformations among three solid forms were presented. Finally, a solution crystallization method was proposed to prepare form II crystals with uniform particle size distribution.

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“…Common mathematical models include Apelblat model, Wilson model, 𝜆h model, polynomial model, CNIBS/R-K model, etc. [22][23][24][25] In this work, Apelblat model and CNIBS/R-K model are used to fit the solubility data. In addition, batch experiments were carried out under the optimal continuous crystallization conditions, and the differences in crystal size, crystal habit and yield between batch crystallization and continuous crystallization under these conditions were compared.…”

Section: Introductionmentioning

confidence: 99%

Continuous Crystallization Process of Cefminox Sodium in MSMPR Crystallizer

Xie

Liu

et al. 2023

Cryst. Res. Technol.

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Continuous crystallization technology has attracted rising attention from chemists and material scientists. In this paper, cefminox sodium is selected as a model drug for consecutive antisolvent crystallization using a multistage mixed suspension mixed product removal (MSMPR) crystallizer. The effects of operating parameters on the product crystal particle size, crystal habit, and yield under steady‐state conditions are investigated in detail: operating parameters such as the initial concentration of the crystallization solution, the volume ratio of the crystallization solution to antisolvent, the total flow rate, the amount of seed crystals added, the crystallization temperature, and the mixing rate. The kinetic solubility data of cefminox sodium in two binary aqueous mixed solvents at 278.15–303.15 K are determined by laser dynamic method, and two empirical models are subsequently borrowed to fit the obtained data. This work provides a new crystallization process for cefminox sodium. After optimization, the mass yield is increased to 89.11%, the average particle size Dv(50) is about 164 µm.

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Solubility determination and correlation for spirotetramat in different solvent systems at T = 278.15–318.15 K

Cited by 5 publications

References 36 publications

Solubility Determination and Analysis of Phenol Red in Monosolvent and Binary Mixed Solvent at T = 278.15–323.15 K

Solubility Determination and Analysis of Phenol Red in Monosolvent and Binary Mixed Solvent at T = 278.15–323.15 K

Polymorphic Development Strategy for Rapid Pesticide Release: A Case Study of Spirotetramat

Continuous Crystallization Process of Cefminox Sodium in MSMPR Crystallizer

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