Determination and Correlation of Solubility of 3,4-Dinitro-1H-pyrazole in Different Pure Solvents from 298.15 K to 338.15 K

Abstract

The solubilities of 3,4-dinitro-1H-pyrazole (DNP) in different solvents are essential for crystallization and further theoretical studies. In this paper, the solubilities of DNP in six pure solvents were determined in temperatures ranging from 298.15 K to 338.15 K by the dynamic laser monitoring method under atmospheric pressure. The results showed that the solubility of DNP in each tested solvent increases with the increasing temperature. Melting temperature T m and fusion enthalpy ΔH fus of DNP were determined using differential scanning calorimetry. Solubility data was correlated by the modified Apelblat equation, λh equation, Wilson model and nonrandom two-liquid (NRTL) model, and these results showed that all models can give satisfactory correlation results. Therefore, the experimental data and model parameters would provide essential support for industrial design. Furthermore, on the basis of the NRTL model and solubility data, the dissolution thermodynamic properties, including enthalpy, entropy, and Gibbs energy were determined.

Solubility Measurement and Correlation of Fosfomycin Sodium in Six Organic Solvents and Different Binary Solvents at Temperatures between 283.15 and 323.15 K

“…The interval time of addition, dependent on the dissolution speed of FOM-Na, was usually greater than 30 min. When the intensity of the laser beam could not reach 90% of the maximum, it was determined that the solid and liquid phases was reached an equilibrium . The total amount of the solute added into the vessel was recorded.…”

“…When the intensity of the laser beam could not reach 90% of the maximum, it was determined that the solid and liquid phases was reached an equilibrium. 10 The total amount of the solute added into the vessel was recorded. In order to ensure the accuracy of the experimental values, same experiment was repeated three times, and the arithmetic average was taken as the final experimental value.…”

Determination and Correlation of the Solubility of Musk Ketone in Pure and Binary Solvents at 273.15–313.15 K

“…The Wilson equation (eq to formula ) , is based on the activity coefficient equation of local composition, which is used to correlate the relationship between the activity coefficient and the molar fraction at different temperatures. …”

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

“…In the present study, the solubility data of N-NP in 12 pure solvents (water, mesitylene, n -hexane, cyclohexane, ethanol, chlorobenzene, benzonitrile, propylene glycol, anisole, dimethyl sulfoxide, N , N -dimethylformamide, and o-dichlorobenzene) were measured from 293.15 to 323.15 K under atmospheric pressure by a laser monitoring system. , In order to expand the scope of application, four ideal thermodynamic models including the modified Apelblat equation, λh equation, Wilson equation, and NRTL equation were applied to correlate experimental solubility data. , Next, the molecular simulation was applied to study the solute–solvent interaction to clarify the solubility sequence in the selected solvents. Furthermore, the thermodynamic parameters of N-NP including mixing enthalpy, mixing entropy, and mixing Gibbs energy were calculated based on the Wilson equation to identify the dissolution process .…”

“…19,20 In order to expand the scope of application, four ideal thermodynamic models including the modified Apelblat equation, λh equation, Wilson equation, and NRTL equation were applied to correlate experimental solubility data. 21,22 Next, the molecular simulation was applied to study the solute−solvent interaction to clarify the solubility sequence in the selected solvents. Furthermore, the thermodynamic parameters of N-NP including mixing enthalpy, mixing entropy, and mixing Gibbs energy were calculated based on the Wilson equation to identify the dissolution process.…”