Mechanism and kinetics for ammonium dinitramide (ADN) sublimation: A first-principles study

Journal of Physical Chemistry A

Volumn 116, Issue 44, 2012, Pages 10836-10841

  Zhu, R S ^a   Chen, Hui Lung ^b   Lin, M C ^a,c  

^a EMORY UNIVERSITY   (United States)

^b CHINESE CULTURE UNIVERSITY   (Taiwan)

^c NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM DINITRAMIDE; AMMONIUM PERCHLORATES; DECOMPOSITION RATE CONSTANTS; DISSOCIATION ENERGIES; ENTHALPY OF SUBLIMATION; EXPERIMENTAL OBSERVATION; EXPERIMENTAL VALUES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; HIGH-PRESSURE LIMITS; MECHANISM AND KINETICS; MOLECULAR COMPLEXES; PERIODIC BOUNDARY CONDITIONS; PLANE WAVE DENSITY FUNCTIONAL THEORY; RATE-CONTROLLING STEPS; SLAB MODEL; SOLID SURFACE; SUBLIMATION ENERGY; SUBLIMATION ENTHALPY; SUBLIMATION PROCESS; SUBLIMATION RATES; SURFACE LAYERS; TEMPERATURE RANGE; THERMOCHEMICAL DATA; WATER MOLECULE;

AMMONIUM COMPOUNDS; CALCULATIONS; ENTHALPY; MOLECULES; NITROGEN OXIDES; RATE CONSTANTS; SUBLIMATION;

PHASE TRANSITIONS;

AMMONIUM DINITRAMIDE; NITRITE; QUATERNARY AMMONIUM DERIVATIVE; WATER;

ARTICLE; CHEMISTRY; KINETICS; QUANTUM THEORY;

KINETICS; NITRITES; QUANTUM THEORY; QUATERNARY AMMONIUM COMPOUNDS; WATER;

EID: 84868529616     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307714d     Document Type: Article

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