Solubility and Thermodynamic Modeling of 3⁃Nitro⁃1，2，4⁃triazole⁃5⁃one（NTO）in Different Binary Solvents

Hao Qi Guo; Yu Lin Yang

doi:10.11943/CJEM2024184

Solubility and Thermodynamic Modeling of 3⁃Nitro⁃1，2，4⁃triazole⁃5⁃one（NTO）in Different Binary Solvents

Hao Qi Guo
, Yu Lin Yang^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering, Harbin Institute of Technology

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Using a dynamic laser monitoring technique，the solubility of 3‐nitro‐1，2，4‐triazole‐5‐one（NTO）was investigated in two different binary systems，namely hydroxylamine nitrate（HAN）‐water and boric acid（HB）‐water ranging from 278.15 K to 318.15 K. The solubility in each system was found to be positively correlated with temperature. Furthermore，solubility data were analyzed using four equations：the modified Apelblat equation，Van’t Hoff equation，λh equation and CNIBS/R‐K equations，and they provided satisfactory results for both two systems. The average root‐mean‐square deviation（10⁵RMSD）values for these models were less than 13.93. Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems，including values for Gibbs free energy，enthalpy and entropy. The %ζ_H is larger than %ζ_TS，and all the %ζ_H data are ≥58.63%，indicating

Translated title of the contribution	3⁃硝基 ⁃1，2，4⁃三唑 ⁃5⁃酮（NTO）在不同二元溶剂中的溶解度和热力学模型
Original language	English
Pages (from-to)	295-303
Number of pages	9
Journal	Hanneng Cailiao/Chinese Journal of Energetic Materials
Volume	33
Issue number	3
DOIs	https://doi.org/10.11943/CJEM2024184
State	Published - Mar 2025
Externally published	Yes

Keywords

3‐nitro‐l,2,4‐triazole‐5‐one（NTO)
apparent thermodynamic analysis
solubility
thermodynamic models

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10.11943/CJEM2024184

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@article{4f07a0d33b974f74a8f9f051270b1580,

title = "Solubility and Thermodynamic Modeling of 3⁃Nitro⁃1，2，4⁃triazole⁃5⁃one（NTO）in Different Binary Solvents",

abstract = "Using a dynamic laser monitoring technique，the solubility of 3‐nitro‐1，2，4‐triazole‐5‐one（NTO）was investigated in two different binary systems，namely hydroxylamine nitrate（HAN）‐water and boric acid（HB）‐water ranging from 278.15 K to 318.15 K. The solubility in each system was found to be positively correlated with temperature. Furthermore，solubility data were analyzed using four equations：the modified Apelblat equation，Van{\textquoteright}t Hoff equation，λh equation and CNIBS/R‐K equations，and they provided satisfactory results for both two systems. The average root‐mean‐square deviation（105RMSD）values for these models were less than 13.93. Calculations utilizing the Van{\textquoteright}t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems，including values for Gibbs free energy，enthalpy and entropy. The \%ζH is larger than \%ζTS，and all the \%ζH data are ≥58.63\%，indicating",

keywords = "3‐nitro‐l,2,4‐triazole‐5‐one（NTO), apparent thermodynamic analysis, solubility, thermodynamic models",

author = "Guo, \{Hao Qi\} and Yang, \{Yu Lin\}",

year = "2025",

month = mar,

doi = "10.11943/CJEM2024184",

language = "英语",

volume = "33",

pages = "295--303",

journal = "Hanneng Cailiao/Chinese Journal of Energetic Materials",

issn = "1006-9941",

publisher = "Institute of Chemical Materials, China Academy of Engineering Physics",

number = "3",

}

TY - JOUR

T1 - Solubility and Thermodynamic Modeling of 3⁃Nitro⁃1，2，4⁃triazole⁃5⁃one（NTO）in Different Binary Solvents

AU - Guo, Hao Qi

AU - Yang, Yu Lin

PY - 2025/3

Y1 - 2025/3

N2 - Using a dynamic laser monitoring technique，the solubility of 3‐nitro‐1，2，4‐triazole‐5‐one（NTO）was investigated in two different binary systems，namely hydroxylamine nitrate（HAN）‐water and boric acid（HB）‐water ranging from 278.15 K to 318.15 K. The solubility in each system was found to be positively correlated with temperature. Furthermore，solubility data were analyzed using four equations：the modified Apelblat equation，Van’t Hoff equation，λh equation and CNIBS/R‐K equations，and they provided satisfactory results for both two systems. The average root‐mean‐square deviation（105RMSD）values for these models were less than 13.93. Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems，including values for Gibbs free energy，enthalpy and entropy. The %ζH is larger than %ζTS，and all the %ζH data are ≥58.63%，indicating

AB - Using a dynamic laser monitoring technique，the solubility of 3‐nitro‐1，2，4‐triazole‐5‐one（NTO）was investigated in two different binary systems，namely hydroxylamine nitrate（HAN）‐water and boric acid（HB）‐water ranging from 278.15 K to 318.15 K. The solubility in each system was found to be positively correlated with temperature. Furthermore，solubility data were analyzed using four equations：the modified Apelblat equation，Van’t Hoff equation，λh equation and CNIBS/R‐K equations，and they provided satisfactory results for both two systems. The average root‐mean‐square deviation（105RMSD）values for these models were less than 13.93. Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems，including values for Gibbs free energy，enthalpy and entropy. The %ζH is larger than %ζTS，and all the %ζH data are ≥58.63%，indicating

KW - 3‐nitro‐l,2,4‐triazole‐5‐one（NTO)

KW - apparent thermodynamic analysis

KW - solubility

KW - thermodynamic models

UR - https://www.scopus.com/pages/publications/105002711755

U2 - 10.11943/CJEM2024184

DO - 10.11943/CJEM2024184

M3 - 文章

AN - SCOPUS:105002711755

SN - 1006-9941

VL - 33

SP - 295

EP - 303

JO - Hanneng Cailiao/Chinese Journal of Energetic Materials

JF - Hanneng Cailiao/Chinese Journal of Energetic Materials

IS - 3

ER -

Solubility and Thermodynamic Modeling of 3⁃Nitro⁃1，2，4⁃triazole⁃5⁃one（NTO）in Different Binary Solvents

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