Theoretical and Experimental Study of the Reaction between Ammonium Nitrate and Sodium Salts
| Autor: | Guillaume Fayet, Patricia Rotureau, Richard Turcotte, Carlo Adamo, Stefania Cagnina, Shanti Singh |
|---|---|
| Přispěvatelé: | Institut National de l'Environnement Industriel et des Risques (INERIS), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL) |
| Rok vydání: | 2016 |
| Předmět: |
[SDE.IE]Environmental Sciences/Environmental Engineering
General Chemical Engineering Ammonium nitrate Inorganic chemistry Thermal decomposition 02 engineering and technology General Chemistry Calorimetry 021001 nanoscience & nanotechnology 01 natural sciences Industrial and Manufacturing Engineering 010406 physical chemistry 0104 chemical sciences chemistry.chemical_compound Differential scanning calorimetry chemistry 13. Climate action Sodium nitrate Ab initio quantum chemistry methods Density functional theory 0210 nano-technology Sodium nitrite |
| Zdroj: | Industrial and engineering chemistry research Industrial and engineering chemistry research, American Chemical Society, 2016, 55 (47), pp.12183-12190. ⟨10.1021/acs.iecr.6b02834⟩ |
| ISSN: | 1520-5045 0888-5885 |
| DOI: | 10.1021/acs.iecr.6b02834 |
| Popis: | Hazards posed by chemical incompatibility, especially in a large-scale industrial environment, warrant a deeper understanding of the mechanisms of the reactions involved in these phenomena. In this study, reactions between ammonium nitrate and two sodium salts, namely, sodium nitrate and sodium nitrite, have been studied by ab initio calculations (with density functional theory, DFT) and experimental calorimetric methods (with differential scanning calorimetry, DSC, and heat flux calorimetry, HFC). The agreement between theoretical and experimental results allows an understanding of the thermal decomposition behaviors of the two sodium salts when exposed to ammonium nitrate. Moreover, this study highlighted the critical role of the water that appears to promote the incompatibility between ammonium nitrate and sodium nitrite. |
| Databáze: | OpenAIRE |
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