Measurement, correlation and thermodynamic analysis of the solubility of dicyandiamide in three binary solvents

Pan, Yinhu; Wang, Yan; Du, Shichao; Sun, Qilei; Xue, Fumin

doi:10.1016/j.jct.2024.107312

The Journal of Chemical Thermodynamics

2024

DOI: 10.1016/j.jct.2024.107312

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Measurement, correlation and thermodynamic analysis of the solubility of dicyandiamide in three binary solvents

Yinhu Pan,

Yan Wang,

Shichao Du

et al.

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2024

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Cited by 2 publications

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Solid–Liquid Phase Equilibrium and Dissolution Properties of 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane Form α in Pure Organic Solvents

Sun,

Gao,

Yin

et al. 2024

J. Chem. Eng. Data

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For solid-state energetic materials, it might be able to exist in different crystal structures, which is well-known as polymorphism. Different polymorphs of the crystals exhibit different physiochemical properties, such as solubility, dissolution rate, morphology, etc. In this work, the solid–liquid phase equilibrium of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane form α (α-HMX) over various temperature ranges (298.15 to 358.15 K) was experimentally determined using the dynamic method in 12 pure solvents, including acetone, pyridine, acetic acid, 2-butanone, cyclopentanone, acetonitrile, methyl acetate, ethyl acetate, isopropyl acetate, ethyl acetoacetate, methyl propyl ketone, and dimethyl sulfoxide (DMSO), at atmospheric pressure. The experimental results indicate that the solubility of α-HMX increases with increasing temperature in all test solvents. The experimental solubility data were correlated with four thermodynamic models, which are the modified Apelblat equation, the λh equation, the Wilson model, and the NRTL model. In addition, the dissolution thermodynamic properties, such as the enthalpy, entropy, and Gibbs free energy change, were also calculated with the experimental data and NRTL model. All of these results lay the foundation for the study of preparation and phase transformation of different crystal forms of HMX and provide guidance for designing suitable crystallization methods in different solvents.

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Solid–Liquid Phase Equilibrium and Dissolution Properties of 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane Form α in Pure Organic Solvents

Sun,

Gao,

Yin

et al. 2024

J. Chem. Eng. Data

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Determination and Correlation of the Solubility of D-Psicose in 15 Pure Solvents at Temperatures of 283.15 to 323.15 K

Mou,

Pan,

Pan

et al. 2024

J. Chem. Eng. Data

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The solubility of D-psicose in 15 pure solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, 2butanol, n-amyl alcohol, n-hexyl alcohol, acetonitrile, ethyl formate, methyl acetate, ethyl acetate, butyl acetate, acetone, and 2butanone, was determined by the gravimetric method in the temperature range of 283.15−323.15 K. The solubility of D-psicose was the highest in methanol and the lowest in acetonitrile. At the temperature of 298.15 K, the solubility of D-psicose in alcohol solvents is as follows: methanol > ethanol > isopropanol > n-propanol >2-butanol > n-butanol > n-amyl alcohol > n-hexyl alcohol. The solubility in the esters is as follows: ethyl acetate > ethyl formate > methyl acetate > butyl acetate. The solubility in ketone solvents is as follows: acetone >2-butanone. The modified Apelblat model, λh model, nonrandom two-liquid (NRTL) model, and Van't Hoff model were used to analyze the solubility data of D-psicose in 15 pure solvents. The solvent effect of D-psicose in the measured solvent was investigated by KAT-LSER model. The results show that hydrogen bond acidity and Hildebrand solubility parameters have important effects on the solubility of D-psicose. The thermodynamic properties of the mixing process were calculated according to the NRTL equation, which shows that the mixing process is spontaneous and entropy-driven.

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Measurement, correlation and thermodynamic analysis of the solubility of dicyandiamide in three binary solvents

Cited by 2 publications

References 34 publications

Solid–Liquid Phase Equilibrium and Dissolution Properties of 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane Form α in Pure Organic Solvents

Solid–Liquid Phase Equilibrium and Dissolution Properties of 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane Form α in Pure Organic Solvents

Determination and Correlation of the Solubility of D-Psicose in 15 Pure Solvents at Temperatures of 283.15 to 323.15 K

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