On the Enthalpy of Formation and Enthalpy of Sublimation of Dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50)
The thermodynamic characterization of dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50) was reinvestigated. Although TKX‐50 is one of the most promising new‐generation energetic materials, contradictory reports are found in the literature with regard to its solid enthalpy of formation. The s...
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Published in: | Propellants, explosives, pyrotechnics Vol. 48; no. 7 |
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Abstract | The thermodynamic characterization of dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50) was reinvestigated. Although TKX‐50 is one of the most promising new‐generation energetic materials, contradictory reports are found in the literature with regard to its solid enthalpy of formation. The standard (po=105 Pa) molar enthalpy of formation of crystalline TKX‐50, (175.3±1.9) kJ ⋅ mol−1, was determined experimentally based on the measured standard massic energy of combustion, determined through static‐bomb combustion calorimetry. Additionally, the standard molar enthalpy of sublimation of TKX‐50, at T=298.15 K, (165.0±2.4) kJ ⋅ mol−1, was derived from vapor pressure measurements determined by a Knudsen mass‐loss effusion technique. Finally, different approaches were used in attempts to calculate the standard enthalpy of formation of TKX‐50 in the solid state. A critical overview and assessment of the data on the enthalpy of formation of TKX‐50 is also presented. |
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AbstractList | The thermodynamic characterization of dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50) was reinvestigated. Although TKX‐50 is one of the most promising new‐generation energetic materials, contradictory reports are found in the literature with regard to its solid enthalpy of formation. The standard (po=105 Pa) molar enthalpy of formation of crystalline TKX‐50, (175.3±1.9) kJ ⋅ mol−1, was determined experimentally based on the measured standard massic energy of combustion, determined through static‐bomb combustion calorimetry. Additionally, the standard molar enthalpy of sublimation of TKX‐50, at T=298.15 K, (165.0±2.4) kJ ⋅ mol−1, was derived from vapor pressure measurements determined by a Knudsen mass‐loss effusion technique. Finally, different approaches were used in attempts to calculate the standard enthalpy of formation of TKX‐50 in the solid state. A critical overview and assessment of the data on the enthalpy of formation of TKX‐50 is also presented. The thermodynamic characterization of dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50) was reinvestigated. Although TKX‐50 is one of the most promising new‐generation energetic materials, contradictory reports are found in the literature with regard to its solid enthalpy of formation. The standard ( p o =10 5 Pa) molar enthalpy of formation of crystalline TKX‐50, (175.3±1.9) kJ ⋅ mol −1 , was determined experimentally based on the measured standard massic energy of combustion, determined through static‐bomb combustion calorimetry. Additionally, the standard molar enthalpy of sublimation of TKX‐50, at T =298.15 K, (165.0±2.4) kJ ⋅ mol −1 , was derived from vapor pressure measurements determined by a Knudsen mass‐loss effusion technique. Finally, different approaches were used in attempts to calculate the standard enthalpy of formation of TKX‐50 in the solid state. A critical overview and assessment of the data on the enthalpy of formation of TKX‐50 is also presented. |
Author | Silva, Ana L. R. Ribeiro da Silva, Maria D. M. C. Klapötke, Thomas M. Reinhardt, Jelena Almeida, Ana R. R. P. |
Author_xml | – sequence: 1 givenname: Ana L. R. surname: Silva fullname: Silva, Ana L. R. email: analuisa.rs@fc.up.pt organization: University of Porto – sequence: 2 givenname: Ana R. R. P. surname: Almeida fullname: Almeida, Ana R. R. P. organization: University of Porto – sequence: 3 givenname: Maria D. M. C. surname: Ribeiro da Silva fullname: Ribeiro da Silva, Maria D. M. C. organization: University of Porto – sequence: 4 givenname: Jelena surname: Reinhardt fullname: Reinhardt, Jelena organization: LMU Munich – sequence: 5 givenname: Thomas M. surname: Klapötke fullname: Klapötke, Thomas M. email: tmk@cup.uni-muenchen.de organization: LMU Munich |
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Cites_doi | 10.1002/prep.201600257 10.1021/jp807822e 10.1007/s10973-015-4472-9 10.1039/tf9666200539 10.1002/prep.201800299 10.1002/zaac.201400007 10.1039/c2jm33646d 10.1016/j.tca.2015.06.019 10.1063/1.481224 10.1016/j.jct.2005.08.013 10.1088/1681-7575/aa950a 10.1016/B978-0-08-020923-4.50014-8 10.1515/9783110739503 10.3389/fchem.2021.726357 10.1002/prep.202100358 10.1021/je60037a022 10.1021/je9004036 10.1063/1.1811611 10.1063/1.4948363 10.1002/prep.201700144 10.1016/j.mencom.2016.03.017 10.1021/jp070702b 10.1016/j.jct.2014.11.001 10.1007/BF00673701 10.1016/0021-9614(84)90187-3 |
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Port. Quím. contributor: fullname: Ribeiro da Silva M. A. V. – ident: e_1_2_9_10_1 doi: 10.1002/prep.202100358 – ident: e_1_2_9_38_1 – ident: e_1_2_9_24_1 doi: 10.1021/je60037a022 – ident: e_1_2_9_6_2 – ident: e_1_2_9_40_1 doi: 10.1021/je9004036 – ident: e_1_2_9_35_1 doi: 10.1063/1.1811611 – ident: e_1_2_9_44_1 – ident: e_1_2_9_41_1 doi: 10.1063/1.4948363 – ident: e_1_2_9_33_1 – ident: e_1_2_9_46_2 doi: 10.1002/prep.201700144 – ident: e_1_2_9_4_2 – ident: e_1_2_9_15_1 – ident: e_1_2_9_22_1 doi: 10.1016/j.mencom.2016.03.017 – ident: e_1_2_9_18_1 – ident: e_1_2_9_19_2 doi: 10.1021/jp070702b – ident: e_1_2_9_23_1 – ident: e_1_2_9_30_1 doi: 10.1016/j.jct.2014.11.001 – ident: e_1_2_9_42_1 doi: 10.1007/BF00673701 – ident: e_1_2_9_9_1 – ident: e_1_2_9_28_1 doi: 10.1016/0021-9614(84)90187-3 – ident: e_1_2_9_29_1 |
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Snippet | The thermodynamic characterization of dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50) was reinvestigated. Although TKX‐50 is one of the most... |
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SubjectTerms | Bomb calorimetry CBS-QB3 level of theory Combustion combustion calorimetry Dioxides Energetic materials Enthalpy enthalpy of formation enthalpy of sublimation Sublimation TKX-50 Vapor pressure vapor pressures |
Title | On the Enthalpy of Formation and Enthalpy of Sublimation of Dihydroxylammonium 5,5′‐bitetrazole‐1,1′‐dioxide (TKX‐50) |
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