First-principles study of water effect on the sublimation of ammonium perchlorate

International Journal of Energetic Materials and Chemical Propulsion

Volumn 9, Issue 6, 2010, Pages 493-504

  Zhu, Rongshun ^a   Lin, M C ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

Ammonium perchlorate; First principles study; Sublimation mechanism; Water effect

Indexed keywords

CALCULATIONS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; DESORPTION; ELECTRONIC STATES; INORGANIC COMPOUNDS; PROTON TRANSFER; RATE CONSTANTS;

AMMONIUM PERCHLORATES; CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; PLANE WAVE DENSITY FUNCTIONAL THEORY; SUBLIMATION MECHANISMS; WATER EFFECTS;

SUBLIMATION;

EID: 84861471370     PISSN: 2150766X     EISSN: 21507678     Source Type: Journal    
DOI: 10.1615/IntJEnergeticMaterialsChemProp.2011001395     Document Type: Article

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