4.7 Editorial Material

Comments on Solubility and thermodynamic properties of an energetic intermediate in four binary solvents (water plus n-butanol, n-pentanol, isobutanol and isoamyl alcohol)

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JOURNAL OF MOLECULAR LIQUIDS
卷 344, 期 -, 页码 -

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ELSEVIER
DOI: 10.1016/j.molliq.2021.117805

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Solubility; Binary solvent mixtures; Cosolvency models; 4-Nitropyrazole; Calculation

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The mathematical representations of the modified NIBS/Redlich-Kister model by Liu et al. were carefully examined in predicting the solubility of 4-NP in binary aqueous mixtures of various alcohols. The model constants provided by Liu et al. were found to lead to large back-calculation errors in calculated mole fraction solubilities.
Mathematical representations reported by Liu et al. for the modified version of the combined nearly ideal binary solvent (NIBS)/Redlich-Kister model are carefully examined in regards to the model's ability to predict the solubility of 4-nitropyrazole (4-NP) dissolved in binary aqueous mixtures of n-butanol, npentanol, isobutanol and isoamyl alcohol mixtures. The model constants reported by Liu et al. were found to give calculated mole fraction solubilities that produced very large back-calculational errors. (C) 2021 Elsevier B.V. All rights reserved.

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