Solubility and metastable zone width measurement of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) in ethanol + water

Chen, Lizhen; Song, Liang; Gao, Lan; Wang, Jianlong

doi:10.1016/j.cjche.2016.08.015

Cited by 18 publications

(11 citation statements)

References 15 publications

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“…Assuming the latent heat L is a constant, the concentration of the vapor at the surface of the droplet could be expressed by the Clausius–Clapeyron equation where p surf , p total , R , T b , and T surf are the pressure of vapor at the surface region, the total gas pressure, the universal gas constant, the boiling point at p total , and the temperature of the droplet surface, respectively. In the conditions of this study, the parameters ( r , ρ mix , D f , and C ∞ ) do not change with the solute concentration according to ref . So, when the vapor pressure p surf is increasing, the evaporation rate ṁ is increasing in terms of eq and eq .…”

Section: Analytical Methodologymentioning

confidence: 77%

“…Furthermore, the supersolubility is an important factor which affects the nucleation rate and crystal growth rate. Wang et al 14 studied the effects of the solubility and the metastable zone width on the crystallization of 3,4-bis(3nitrofurazan-4-yl) furoxan (DNTF) in ethanol + water. The modified Apelblat equation was adopted to correlate the experimental solubility data, and the correlation result showed perfectly consistent with the experimental data.…”

Section: Introductionmentioning

confidence: 99%

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Study of Main Solutes on Evaporation and Crystallization Processes of the Desulfurization Wastewater Droplet

et al. 2018

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In this study, the evaporation and crystallization processes of the desulfurization wastewater droplet with different concentrations of main solutes were analyzed by TGA and DSC methods. The drying crystals were scanned by a scanning electron microscope. The supersolubilities were measured by the laser intensity detecting method. A mathematic model was built to investigate the relationship between the evaporation and crystallization rates and the species and concentrations of the solutes. The results show that, comparing SO4 2– with Cl–, the higher concentration of SO4 2– gives higher evaporation rate (4.75 min of 0.006 mol NaCl, 4.5 min 0.003 mol Na2SO4) and lower crystallization rate (2.2 min of 0.006 mol NaCl, 2.5 min of 0.003 mol Na2SO4). This is because the vapor pressure is higher and the supersolubility is lower when the concentration of SO4 2– is higher. Comparing Mg2+ with Na+, the changing concentration hardly affects the evaporation rate because of similar vapor pressure. The higher concentration of Mg2+ leads to higher crystallization rate (2.1 min of 0.003 mol MgCl2, 2.2 min of 0.006 mol NaCl) due to the lower supersolubility. In the measurements of Ca2+, Mg2+, and Na+, the evaporation durations (around 4.45 min) and crystallization durations (2–2.05 min) are almost the same because of the low concentration solutes. According to the SEM results, the crystallization rate order when adding different ions is Mg2+ > Ca2+ > Na+.

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Section: Analytical Methodologymentioning

confidence: 77%

Section: Introductionmentioning

confidence: 99%

Study of Main Solutes on Evaporation and Crystallization Processes of the Desulfurization Wastewater Droplet

et al. 2018

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“…The solubility of N-NP was measured by the laser dynamic method in water, mesitylene, n -hexane, cyclohexane, ethanol, chlorobenzene, benzonitrile, propylene glycol, anisole, dimethyl sulfoxide, N , N -dimethylformamide, and o-dichlorobenzene in 12 pure solvents from 293.15 to 323.15 K under the atmospheric pressure. The experimental approach and measuring devices (Figure ) were consistent with the description in the published literature. − First, the laser monitoring system was turned on and stabilized for 30 min to improve accuracy. Second, 30 mL of solvent was added to the inner cavity of a 100 mL jacketed glass container with a burette accuracy of 0.1 mL, and appropriate excess N-NP was accurately weighed by an analytical balance (Mettler Toledo, Switzerland) with an uncertainty of 0.0001 g. The temperature of the glass container inside was controlled by a thermostat (temperature uncertainly of 0.5 K).…”

Section: Experiments Sectionmentioning

confidence: 81%

Solubility, Correlation, Dissolution Properties, and Molecular Simulations of an Explosive Intermediate in Twelve Pure Solvents

et al. 2023

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The solubility and thermodynamic properties of N-nitropyrazole (N-NP) in different pure solvents are crucial for crystallization, purification, and further theoretical research. The solid–liquid equilibrium solubility of N-NP in the range of 293.15–323.15 K was determined in 12 pure solvents of water, mesitylene, n-hexane, cyclohexane, ethanol, chlorobenzene, benzonitrile, propylene glycol, anisole, dimethyl sulfoxide, N,N-dimethylformamide, and o-dichlorobenzene by the laser dynamic method at an atmospheric pressure of 0.1 MPa. In the temperature range of 293.15–323.15 K, the solubility of N-NP in water, mesitylene, n-hexane, cyclohexane, ethanol, chlorobenzene, benzonitrile, propylene glycol, anisole, dimethyl sulfoxide, N,N-dimethylformamide, and o-dichlorobenzene displayed the mole fraction solubility of 0.001271–0.003540, 0.033858–0.139782, 0.001966–0.009268, 0.002621–0.013898, 0.013601–0.058669, 0.097849–0.310726, 0.170722–0.387823, 0.017647–0.065427, 0.069507–0.379656, 0.225911–0.457260, 0.210072–0.415353, and 0.017651–0.172345, respectively. The measured solubility data of N-NP had a good correlation with the modified Apelblat equation, the NRTL equation, the Wilson equation, as well as the λh equation. Through the comparison of the minor average of the root-mean-square deviation (103RMSD) and the coefficient of determination (R 2), the Wilson equation yielded a more satisfactory correlation result. Thermodynamic parameters of mixing enthalpy (Δmix H), mixing entropy (Δmix S), and mixing Gibbs energy (Δmix G) were calculated and analyzed based on the experimental data. The positive Δmix H and Δmix S implied that the dissolution process of N-NP in the selected solvents was endothermic and entropy-driven. The relative contributions of enthalpy and entropy demonstrated that enthalpy was the main contributor to the Gibbs free energy in the dissolution process. In addition, the solute–solvent interaction was calculated to elaborate the solubility of N-NP in selected solvents deeply. In addition, the solid–liquid surface tension and the surface entropy factor of N-NP were discussed on the basis of the experimental solubility data.

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“…Except for one study that was carried out through HPLC with UV detection, most of the solubility determination of DNTF were conducted using laser monitoring method by Wang’s research group − and the solubility of DNTF in several solvents are shown in Figure c,d. As one can see, except for water, the solubility of DNTF in the selected solvents increases exponentially with temperature, thus, cooling method could be adopted during its recrystallization process.…”

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

“…In addition, the effect of ethanol concentration, temperature, cooling rate and stirring rate on the MSZW of DNTF has also been studied, 111 and the apparent nucleation order of DNTF in pure ethanol was calculated, showing a positive dependence on the concentration of DNTF. And in the acetic acid/water system, 109 the MSZW of DNTF under different acetic acid/ water ratios was studied, and a range of 4.65−22.73 K was obtained, with the solubility curves parallel with supersolubility curves.…”

mentioning

confidence: 99%

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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Solubility and metastable zone width measurement of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) in ethanol + water

Cited by 18 publications

References 15 publications

Study of Main Solutes on Evaporation and Crystallization Processes of the Desulfurization Wastewater Droplet

Study of Main Solutes on Evaporation and Crystallization Processes of the Desulfurization Wastewater Droplet

Solubility, Correlation, Dissolution Properties, and Molecular Simulations of an Explosive Intermediate in Twelve Pure Solvents

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

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