Solid-liquid phase equilibrium and ternary phase diagrams of CL-20 in different solvent systems from 298.15 K to 313.15 K

Pan, Bochen; Wei, Hongyuan; Zong, Shanghong; Zhu, Jiaxing; Dang, Leping

doi:10.1016/j.molliq.2019.111180

Cited by 12 publications

(5 citation statements)

References 28 publications

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“…Binary solvent systems were also adopted to study the dissolution behavior of CL-20. As for now, EA-based 61,63,64 and ACN-based 65 binary solvents were studied. As the second 64 When it comes to higher temperatures, this range slightly reduces.…”

Section: T H Imentioning

confidence: 99%

“…As the most significant physicochemical properties during the crystallization process, the solubility data, MSZW, and thermodynamic parameters in selected organic solvents were studied. The high cost of raw CL-20 limits its solubility measurement method to the gravimetric method, which can minimize the amount used, and different systems including water, pure organic solvents, , and some binary organic solvents ,− were studied. Besides, HPLC analysis was also adopted to determine the solubility of ε-CL-20 in 13 liquids.…”

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

“…Binary solvent systems were also adopted to study the dissolution behavior of CL-20. As for now, EA-based ,, and ACN-based binary solvents were studied. As the second solvent component, different aromatic compounds such as m -xylene and methylbenzene, chloralkanes including dichloromethane, chloroform (CF), tetrachloromethane, and 1,2-dichloroethane and alkanes such as n -hexane, n -heptane, n -octane, isooctane, and cyclohexane were used.…”

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

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Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

Tang²,

Fu³

et al. 2021

Crystal Growth & Design

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Crystallization engineering as one of the most typical modification technologies for energetic materials (EMs) has attracted more and more attention due to its facileness and cost-effectiveness. As preliminary and basic research, dissolution thermodynamics is of great significance for crystal quality control during the crystallization process, from which information on the dependence of the solubility on temperature, the metastable zone width, ternary phase diagrams, and thermodynamic parameters can be obtained. The solvent type, solution concentration, temperature, as well as crystallization method could be determined, which are crucial and fundamental factors affecting the crystal habit and structure of EMs. This review focuses on the recent advances on studies of the solid−liquid equilibrium, solubility measurements, correlation of solubility data via different empirical/semiempirical models, calculation of thermodynamic parameters of pure EMs, energetic cocrystals, and some novel energetic compounds and salts as typical examples. This review is narrated based on the diverse solvent systems, such as pure/binary organic solvents, ionic liquids, supercritical fluids, acid/alkaline solutions, and melting systems, based on which further research directions are proposed. This short review on the dissolution thermodynamics of EMs aims to provide researchers with meaningful information on the reliable implementation of crystallization experiments for desired crystal morphologies and structures.

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Section: T H Imentioning

confidence: 99%

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

See 1 more Smart Citation

Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

Tang²,

Fu³

et al. 2021

Crystal Growth & Design

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“…the solvents used in the transcrystallization process should be environmentally friendly, have good thermal properties, and be noncorrosive and readily available. Based on the literature, , related to the crystallization of γ-CL-20, the rule of the likes dissolves each other and the common organic solvents in the industry or laboratory. Solvents such as ethyl acetate, methanol, ethanol, n -propanol, n -butanol, dichloromethane 1,2-dichloroethane, chloroform, and tetrachloromethane were selected in this work.…”

Section: Introductionmentioning

confidence: 99%

Measurement and Correlation of Solubilities of γ-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (γ-CL-20) in Six Pure Solvents and Four Different Chloralkane + Ethyl Acetate Binary Solvents from 283.15 to 323.15 K

Feng,

He,

Zhang

et al. 2024

J. Chem. Eng. Data

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12-hexaazaisowurtzitane (CL-20) has the highest crystal density and detonation speed among high-energy materials and is widely used in military and aerospace industries. However, data on the solubility of γ-CL-20 are rarely reported in the open literature. Considering the solubility is important to the CL-20 crystallization process, the solubility of γ-CL-20 in six pure solvents (ethyl acetate, methanol, ethanol, n-propanol, n-butanol, isopropanol) and four binary solvents (dichloromethane + ethyl acetate, 1,2-dichloroethane + ethyl acetate, chloroform + ethyl acetate, tetrachloromethane + ethyl acetate) has been measured by the laser dynamic method in the temperature range of 283.15−323.15 K. The measured solubility data in pure solvents were fitted by the Apelblat equation, the Yaws model, and the polynomial empirical equation. The Apelblat equation, the Yaws model, and the modified Jouyban−Acree model were adopted to correlate the experimental solubility data in four binary solvents. This work can guide further crystallization research of γ-CL-20.

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“…The ternary phase diagram can provide sufficient and exact information for designing and optimizing the solution crystallization processes. , Figure shows a typical ternary phase diagram for a 1:1 cocrystal A–B. Based on the solubility difference of the API and CCF, the ternary phase diagrams for 1:1 cocrystal are mainly divided into two types: The cocrystal stable region appears at the center of the phase diagram (Figure a), and the cocrystal stable region deviates from the center of the phase diagram (Figure b) .…”

Section: Introductionmentioning

confidence: 99%

Solid–Liquid Phase Equilibrium and Ternary Phase Diagrams of Telmisartan-Saccharin Cocrystal in Methanol, Ethanol, and Methanol/Chloroform Mixtures at 298.15 and 313.15 K

et al. 2020

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In this work, ternary phase diagrams of telmisartan-saccharin (TEL-SAC) cocrystal in methanol, ethanol, and quasi-ternary sections of the quaternary system TEL-SAC–chloroform–methanol were determined at 298.15 and 308.15 K. The results show that the stable region of cocrystal is greatly biased towards SAC in methanol and ethanol; this is due to the large solubility difference between TEL and SAC. In the mixed solvent of chloroform and methanol, the cocrystal stable region appears at the center of the whole phase diagram when the mass fraction of chloroform is 80%, which indicated that the solubility difference between TEL and SAC in the mixed solvent was relatively small. Moreover, the solubility behavior of TEL-SAC cocrystal was studied and the results showed that the solution complexation model in methanol and ethanol was 1:1 + 1:2, and the complexation model in chloroform and binary mixtures of chloroform/methanol was 1:1.

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Solid-liquid phase equilibrium and ternary phase diagrams of CL-20 in different solvent systems from 298.15 K to 313.15 K

Cited by 12 publications

References 28 publications

Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

Measurement and Correlation of Solubilities of γ-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (γ-CL-20) in Six Pure Solvents and Four Different Chloralkane + Ethyl Acetate Binary Solvents from 283.15 to 323.15 K

Solid–Liquid Phase Equilibrium and Ternary Phase Diagrams of Telmisartan-Saccharin Cocrystal in Methanol, Ethanol, and Methanol/Chloroform Mixtures at 298.15 and 313.15 K

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Solid-liquid phase equilibrium and ternary phase diagrams of CL-20 in different solvent systems from 298.15 K to 313.15 K

Cited by 12 publications

References 28 publications

Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

Phase Equilibrium and Thermodynamics Studies on Dissolving Processes of Energetic Compounds: A Brief Review

Measurement and Correlation of Solubilities of γ-2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (γ-CL-20) in Six Pure Solvents and Four Different Chloralkane + Ethyl Acetate Binary Solvents from 283.15 to 323.15 K

Solid–Liquid Phase Equilibrium and Ternary Phase Diagrams of Telmisartan-Saccharin Cocrystal in Methanol, Ethanol, and Methanol/Chloroform Mixtures at 298.15 and 313.15 K

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Solid-liquid phase equilibrium and ternary phase diagrams of CL-20 in different solvent systems from 298.15 K to 313.15 K