Determination and correlation of solubility of N-methyl-3,4,5-trinitropyrazole (MTNP) in ten pure solvents from 283.15 K to 323.15 K

Guo, Hengjie; Cao, Duanlin; Liu, Yang; Dang, Xin; Yang, Feng; Li, Yongxiang; Hu, Wang-hua; Jiang, Zhenming; Li, Zhihua

doi:10.1016/j.fluid.2017.04.008

Cited by 19 publications

(5 citation statements)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The Buchowski–Ksiazaczak λh equation was first proposed by Buchowski et al − This equation has two parameters, λ and h , and is expressed as eq where λ and h are two equation constants and T m is the melting temperature of APMC. The value of λ reflects the nonideality of the solution system, while λh estimates the enthalpy of solution.…”

Section: Resultsmentioning

confidence: 99%

Experimental Determination and Thermodynamic Models for Solid–Liquid Equilibrium of 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide in Pure and Binary Solvent Mixtures for T = (278.15–328.15) K

et al. 2018

View full text Add to dashboard Cite

In this study, the solubility of 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide (APMC) in pure tetrahydrofuran, ethyl acetate, acetonitrile, n-butanol, n-propanol, ethanol, methanol, and three binary solvent mixtures (ethyl acetate + methanol, ethyl acetate + ethanol, and ethyl acetate + n-butanol) was first experimentally determined within the temperature range from (278.15 to 328.15) K under atmosphere pressure by the gravimetric method. The results reveal that the solubility of APMC increases with an increase in temperature in all of the solvents selected. The modified Apelblat equation and the Buchowski−Ksiazaczak λh equation were used to correlate the experimental solubility in pure solvents while the modified Apelblat equation, the CNIBS/R−K model, and the Jouyban−Acree model were applied to correlate the solubility in binary solvent mixtures. All of the models could be well applied, and the modified Apelblat equation stood out to be more suitable with a higher accuracy compared to that of the other three models.

show abstract

Section: Resultsmentioning

confidence: 99%

Experimental Determination and Thermodynamic Models for Solid–Liquid Equilibrium of 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide in Pure and Binary Solvent Mixtures for T = (278.15–328.15) K

et al. 2018

View full text Add to dashboard Cite

show abstract

“…The polynomial empirical model can be applied to correlate and fit the solubility data. Additionally, the molar solubility of solute is a function of temperature when the external influence conditions are fixed, , which is expressed as x 1 = A 3 + B 3 T + C 3 T 2 + D 3 T 3 where x 1 is the molar solubility of EP at temperature T /K and A 3 , B 3 , C 3 , and D 3 are model parameters.…”

Section: Calculation Modelsmentioning

confidence: 99%

“…The polynomial empirical model can be applied to correlate and fit the solubility data. Additionally, the molar solubility of solute is a function of temperature when the external influence conditions are fixed, 26 , 27 which is expressed as where x 1 is the molar solubility of EP at temperature T /K and A 3 , B 3 , C 3 , and D 3 are model parameters.…”

Section: Calculation Modelsmentioning

confidence: 99%

Thermodynamic Analysis of Eplerenone in 13 Pure Solvents at Temperatures from 283.15 to 323.15 K

Liu,

Zhang

et al. 2024

ACS Omega

View full text Add to dashboard Cite

The solubility of eplerenone (EP) in 13 pure solvents (acetonitrile, N,N-dimethylformamide (DMF), acetone, 2-butanone, 4-methyl-2-pentanone, ethyl formate, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, methyl propionate, ethyl propionate, ethanol, and 1-propanol) was determined by the gravimetric method at atmospheric pressure and various temperatures (from 283.15 to 323.15 K). The results showed that the solubility of EP in the selected solvents was positively correlated with the thermodynamic temperature, and the order of solubility of EP at 298.15 K was acetonitrile > DMF > 2-butanone > methyl acetate > 4-methyl-2pentanone > methyl propionate > ethyl acetate > propyl acetate > ethyl formate > acetone > butyl acetate > ethanol >1-propanol. The modified Apelblat model, van't Hoff model, λh model, and polynomial empirical model were used for fitting the solubility data, and then the λh model was found to have the highest fitting accuracy with a minimum ARD of 7.0 × 10 −3 and a minimum RMSD of 6.1 × 10 −6 . The solvent effect between the solute and the solvent was analyzed using linear solvation energy relationship (LSER), and the enthalpy of solvation (Δ sol H°), entropy of solvation (Δ sol S°), and Gibbs free energy of solvation (Δ sol G°) of the dissolution process of EP were calculated by the van't Hoff model, which indicated that the dissolution process of EP in the selected solvents was endothermic, nonspontaneous, and entropyincreasing. In this work, the solubility, dissolution characteristics, and thermodynamic parameters of EP were studied, which will provide data support for the production, crystallization, and purification of EP and will provide important guidance for the crystallization optimization of EP in industry.

show abstract

“…1-Methyl-3,4,5-trinitropyrazole (MTNP, C 4 H 3 N 5 O 6 ), a new type of low melting point explosive, and its precursor 1-methyl-4-nitropyrazole (1-M-4-NP, C 4 H 5 O 2 N 3 ) are widely used to prepare energetic cocrystals. Their solubilities in different pure solvents and water-based binary solvents were measured by the gravimetric method , and dynamic laser monitoring technique , from 283 to 323 K. The solubilities of MTNP in different solvents are shown in Figure c,d, and a typical schematic setup of a laser monitoring method is drawn in Figure f. Obviously, formic acid has the strongest ability to dissolve MTNP with a solubility of 0.2932 mol·mol –1 at 298 K, compared with those in other pure solvents (<0.03 mol·mol –1 ) at the same temperature.…”

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

“…A comparison between the gravimetric method and the dynamic laser monitoring technique was discussed in ref , and the experimental error was attributed to solvent residue, inaccurate weighing, temperature control, solvent volatilization at high temperature, method error, and human operation error. However, according to the results of thermodynamic properties, there is a disagreement about whether the dissolution process of MTNP in pure solvent is driven by entropy or enthalpy, , but no reasonable explanation is given.…”

Section: Dissolution Thermodynamics In Organic Solvent Systemsmentioning

confidence: 99%

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

Tang²,

Fu³

et al. 2021

Crystal Growth & Design

View full text Add to dashboard Cite

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.

show abstract

Determination and correlation of solubility of N-methyl-3,4,5-trinitropyrazole (MTNP) in ten pure solvents from 283.15 K to 323.15 K

Cited by 19 publications

References 29 publications

Experimental Determination and Thermodynamic Models for Solid–Liquid Equilibrium of 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide in Pure and Binary Solvent Mixtures for T = (278.15–328.15) K

Experimental Determination and Thermodynamic Models for Solid–Liquid Equilibrium of 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide in Pure and Binary Solvent Mixtures for T = (278.15–328.15) K

Thermodynamic Analysis of Eplerenone in 13 Pure Solvents at Temperatures from 283.15 to 323.15 K

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

Contact Info

Product

Resources

About