Solubility and thermodynamic properties of 5-nitrofurazone form γ in mono-solvents and binary solvent mixtures

Li, Xin; Huang, Xin; Luan, Yanan; Li, Jing; Wang, Na; Zhang, Xuling; Ferguson, Steven; Meng, Xianze; Hao, Hongxun

doi:10.1016/j.molliq.2018.11.123

Cited by 26 publications

(14 citation statements)

References 20 publications

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“…The modified Apelblat model, ,− which was used to correlate the experimental solubility data of bisphenol-A, could be expressed as follows where x is the experimental solubility data and T represents absolute temperature. A , B , and C are model parameters; the corresponding fitting values are listed in Table .…”

Section: Resultsmentioning

confidence: 99%

Measurement and Correlation of Solubility Behavior of Bisphenol A in Binary (Ethyl Acetate + n-Butanol, Ethyl Acetate + 2-Butanol, Ethanol + n-Butanol, and Ethanol + 2-Butanol) Solvents

et al. 2021

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The solubility of bisphenol A in binary solvents (ethyl acetate + n-butanol, ethyl acetate + 2-butanol, ethanol + n-butanol, and ethanol + 2-butanol) was measured by a laser dynamic method under p = 101.1 kPa at temperatures ranging from 273.15 to 313.15 K. The solubility increased with increasing temperature at a given solvent composition; the solubility also increased with increasing content of ethyl acetate or ethanol at a given temperature. The modified Apelblat equation, λh equation, and Sun model were used to correlate the experimental solubility data; the values of RD and rmsd indicated that these models fitted the solubility data well.

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Section: Resultsmentioning

confidence: 99%

Measurement and Correlation of Solubility Behavior of Bisphenol A in Binary (Ethyl Acetate + n-Butanol, Ethyl Acetate + 2-Butanol, Ethanol + n-Butanol, and Ethanol + 2-Butanol) Solvents

et al. 2021

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“…It is known that the dissolved solute has little effect on the activity coefficient, so it can be neglected under relatively low solute concentration conditions. , The activity coefficients γ w were calculated by the NRTL , equation (eq ) using Aspen Plus 7.2 software, and the water activities were calculated by eq and are shown in Table S1 in the Supporting Information. It is obvious that the water activity increases slightly with increasing temperature.…”

Section: Results and Discussionmentioning

confidence: 99%

Solid Forms Selection of Spironolactone: Ternary Phase Diagram and Nucleation Process

Dai

Yang

Zhu

et al. 2019

Ind. Eng. Chem. Res.

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The investigation of polymorphism thermodynamic stability and nucleation process of spironolactone was performed to control the final solid forms. Spironolactone–water–acetone ternary phase diagrams were determined in the temperature range of 5.0–45.0 °C. Meanwhile, the nucleation processes were investigated at different supersaturations and different water contents via in situ PVM and PXRD. Results show that the stable form transforms from form II to the hydrate with increasing water content, and the transition point moves toward higher water contents as the temperature increases. Besides, the nucleation of stable form appears away from the eutectic point or at low supersaturation near the eutectic point. Concomitant nucleation occurs at the eutectic point or at high supersaturation near the eutectic point, because of thermodynamic effects or combined effects of thermodynamic and kinetic factors. Molecular dynamics simulation explains the formation of different solid forms in terms of molecular interactions. The results manifest the role of kinetic influences on solid forms control while considering thermodynamic stability.

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“…The detailed method and standard curve can be found in our previous work. 36 For the metastable form β, the concentration changes during the transformation process were monitored to ensure that the solubilities provided for the metastable forms are accurate. If the solvent-mediated transformation is limited by the crystallization of the stable form (and not by the dissolution of the metastable form), the concentration in the liquid phase would reach a plateau at the solubility of the metastable form before it drops down toward the solubility of a more stable form.…”

Section: Methodsmentioning

confidence: 99%

“…Wet solid samples from solutions of solubility measurements were also tested to confirm the form of 5-nitrofurazone. The detailed method and standard curve can be found in our previous work . For the metastable form β, the concentration changes during the transformation process were monitored to ensure that the solubilities provided for the metastable forms are accurate.…”

Section: Experimental Sectionmentioning

confidence: 99%

Mechanism and Regulation Strategy of Solution-Mediated Polymorphic Transformation: A Case of 5-Nitrofurazone

Wang

et al. 2021

Ind. Eng. Chem. Res.

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Solution-mediated polymorphic transformation (SMPT) exists extensively in crystallization from solution in many polymorphic systems. To obtain the desired products, it is crucial to understand the mechanism of the SMPT process and then to develop a regulation strategy for it. However, the mechanism of SMPT of different polymorphs is still not well understood. In this work, the mechanism and control strategy of SMPT were studied in detail by using 5nitrofurazone as a model compound. A series of SMPT experiments were carried out. Different 5-nitrofurazones form β (different sizes or with different amounts of impurities/additive) can (1) transform to form α directly, or (2) transform to form γ directly, or (3) initially transform to mixture of form α and form γ and then finally transform to form γ. Then, the mechanism of the SMPT process of 5-nitrofurazone was explored by using quantum chemical calculation, solubility determination, lattice energy calculation, single crystal indexing, and lattice matching calculation. Finally, the regulation strategy of the SMPT process of 5-nitrofurazone was proposed: form α can be obtained through decreasing size of form β. Form γ can be directly obtained through the addition of a certain amount of 5-nitrofurfural.

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Solubility and thermodynamic properties of 5-nitrofurazone form γ in mono-solvents and binary solvent mixtures

Cited by 26 publications

References 20 publications

Measurement and Correlation of Solubility Behavior of Bisphenol A in Binary (Ethyl Acetate + n-Butanol, Ethyl Acetate + 2-Butanol, Ethanol + n-Butanol, and Ethanol + 2-Butanol) Solvents

Measurement and Correlation of Solubility Behavior of Bisphenol A in Binary (Ethyl Acetate + n-Butanol, Ethyl Acetate + 2-Butanol, Ethanol + n-Butanol, and Ethanol + 2-Butanol) Solvents

Solid Forms Selection of Spironolactone: Ternary Phase Diagram and Nucleation Process

Mechanism and Regulation Strategy of Solution-Mediated Polymorphic Transformation: A Case of 5-Nitrofurazone

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