The Quantumchemical Calculation of Fluorine-Containting Oxidizers of the Differential Fuels - Couverture rigide

Couverture rigide

ISBN 10 : 1600215394 ISBN 13 : 9781600215391

Editeur : Nova Science Publishers Inc, 2007

Synopsis

Subject Scope: Applied Quantum Chemistry, Petrochemistry, Chemical Physics The calculation of traditional fluorine-containing (F2, OF2, N2F4, ClO3F, ClF5, ClF3) and oxygen-containing (OF2, O2, H2O2, N2O4, HNO3, ClO3F) oxidizers of differential fuels has been performed by the different classical semi-empirical quantum-chemical methods (CNDO, CNDO/2, MNDO, AM1, PM3) and B-INITIO in the many principal basis-sets optimizing the all geometric parameters. It is shown, the high correlative dependencies between the burn parameters of the differential fuels (H2, N2H4, H2N2(CH3)2, CH2, AlH3, B5H9, BeH2) and calculated values of quantum-chemical parameters of the fluorine-containing (oxygencontaining) oxidizers exist in the form of Ip is specific impulse of pressure, P1 is specific traction in atmosphere, Pi is specific traction in vacuum, depending on qFmin is minimum electronic charge on fluorine atom (qOmin is the minimum electronic charge on oxygen atom). The authors performed comparative analysis of results of the quantum-chemical semi-empirical and ab-initio calculations for different fuels. The simple interpretation and illustration of the physical nature of these correlative dependencies are offered. The authors established the technique of theoretical estimation of the burn parameters of oxidizers of the differential fuels, that may be used to look for new more efficient non-pollution oxidizers.

Détails de l'édition

• Éditeur: Nova Science Publishers Inc
• Date d'édition: 2007
• Langue: anglais
• ISBN 10: 1600215394
• ISBN 13: 9781600215391
• Reliure: Relié
• Nombre de pages: 85
• Éditeur: Babkin V A, Zaikov G E, Fedunov R G, Ivanov A I, Minsker K S, Berlin A L
• Coordonnées du fabricant: non disponible
• Personne responsable: non disponible