Dielectric Anomaly of Ammonium Nitrate in Low Frequency Region

Yamashita, Akiyasu; Asai, Kiyoji

doi:10.1143/jpsj.18.1247

Cited by 12 publications

(6 citation statements)

References 8 publications

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“…Ammonium nitrate, NH4NO 3, has been studied extensively by X-ray diffraction (Holden & Dickinson, 1975, and references cited therein), differential thermal analysis (Konkoly-Thege, 1977, and references cited therein), calorimetry (Nagatani, Seiyama, Sakiyama, Suga & Seki, 1967, and references cited therein), dielectric measurements (Yamashita & Asai, 1963), optical microscopy (Seiyama & Yamazoe, 1968), NMR (Riggin, Knispel & Pintar, 1972, and references cited therein), Raman (Tang & Torrie, 1978, and references cited therein), infrared (Theoret & Sandorfy, 1964, and references cited therein), and neutron scattering (Jayasooriya, Kearley, Kettle & Lauter, 1981, and references cited therein) and diffraction (Choi & Prask, 1982, and references cited therein). Ammonium nitrate in the solid state is an ionic crystal consisting of tetrahedral NH + cations and planar NO~anions.…”

Section: Introductionmentioning

confidence: 99%

The structure of ND₄NO₃ phase V by neutron powder diffraction

Choi¹,

Prask²

1983

Acta Crystallogr Sect B

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Section: Introductionmentioning

confidence: 99%

The structure of ND₄NO₃ phase V by neutron powder diffraction

Choi¹,

Prask²

1983

Acta Crystallogr Sect B

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“…In this study, geometries and frequencies were calculated at the ωB97XD/6–311++G(d,p) level, the optimized geometries were fixed with no changes allowed and the energies were calculated using the CBS‐QB3 method. To confirm the accuracy of calculations, the chemical species associated with the decomposition of AN were also analyzed using other high‐level energy calculations, including the CBS‐QB3 (in which the optimized structure from the ωB97XD/6–311++G(d,p) level of theory was not applied) , G3 , and G4 methods. The CBS‐QB3, G3, and G4 methods are all understood to represent cost‐effective strategies for obtaining chemically accurate thermochemical calculations.…”

Section: Theoretical Methodsmentioning

confidence: 99%

Identification of Thermal Decomposition Products and Reactions for Liquid Ammonium Nitrate on the Basis of Ab Initio Calculation

Izato

Koshi

Miyake

2016

Int J of Chemical Kinetics

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This work analyzed the thermal decomposition of ammonium nitrate (AN) in the liquid phase, using computations based on quantum mechanics to confirm the identity of the products observed in past experimental studies. During these ab initio calculations, the CBS-QB3//ωB97XD/6-311++G(d,p) method was employed. It was found that one of the most reasonable reaction pathways is HNO 3 + NH 4 + → NH 3 NO 2 + + H 2 O followed by NH 3 NO 2 + + NO 3 -→ NH 2 NO 2 + HNO 3 . In the case in which HNO 3 accumulates in the molten AN, alternate reactions producing NH 2 NO 2 are HNO 3 + HNO 3 → N 2 O 5 + H 2 O and subsequently N 2 O 5 + NH 4 + → NH 2 NO 2 + H 2 O. In both scenarios, HNO 3 plays the role of a catalyst and the overall reaction can be written as NH 4 + + NO 3 -(AN) → NH 2 NO 2 + H 2 O. Although the unimolecular decomposition of NH 2 NO 2 is thermodynamically unfavorable, water and bases both promote the decomposition of this molecule to N 2 O and H 2 O. Thus AN thermal decomposition in the liquid phase can be summarized as NH 4 + + NO 3 -(AN) → N 2 O

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“…Unfortunately, the solvent effect of molten AN is not known. The dielectric constant for solid AN has been reported to be approximately 40 [-] at 383 K [27], and it is known that this value tends to increase along with temperature. Thus, molten AN could be considered as a highly polar solvent, so we employed the water solvation effect as a substitute for molten AN.…”

Section: Intorductionmentioning

confidence: 99%