Доступ предоставлен для: Guest
Портал Begell Электронная Бибилиотека e-Книги Журналы Справочники и Сборники статей Коллекции
International Journal of Energetic Materials and Chemical Propulsion
ESCI SJR: 0.149 SNIP: 0.16 CiteScore™: 0.29

ISSN Печать: 2150-766X
ISSN Онлайн: 2150-7678

International Journal of Energetic Materials and Chemical Propulsion

DOI: 10.1615/IntJEnergeticMaterialsChemProp.2013006517
pages 197-262

APPLICATIONS OF ENERGETIC MATERIALS BY A THEORETICAL METHOD (DISCOVER ENERGETIC MATERIALS BY A THEORETICAL METHOD)

Lulu Huang
Center for Computational Materials Science, Naval Research Laboratory, Washington, DC 20375-5341, USA
Lou Massa
Hunter College and the Graduate School, City University of New York, New York, NY 10065, USA

Краткое описание

It has been shown that quantum chemical calculations can be used to Discover Energetic Materials by a Theoretical Method (DEMTM). The key quantity computed is the heat of formation. The computer program CHEETAH converts the heat of formation into calculated explosive properties. We test DEMTM for obtaining explosive properties against some 109 explosive materials and produce thereby their energetic characteristics. Thus, we have shown that DEMTM is appropriate to be used in a search across a database of materials to assess their usefulness as explosives.


Articles with similar content:

DISCOVERY OF ENERGETIC MATERIALS BY A THEORETICAL METHOD (DEMTM)
International Journal of Energetic Materials and Chemical Propulsion, Vol.10, 2011, issue 1
Jerome Karle, Lulu Huang, Lou Massa
THERMAL TRANSPORT IN SELECTED FOOD PROCESSING OPERATIONS
First Thermal and Fluids Engineering Summer Conference, Vol.1, 2015, issue
Mukund V. Karwe
Heat of Detonation of Aluminised Explosives
ICHMT DIGITAL LIBRARY ONLINE, Vol.12, 2005, issue
Jing Ping Lu
STUDIES ON CURING OF GLYCIDYL AZIDE POLYMER USING ISOCYANATE, ACRYLATE AND PROCESSING OF GAP-BORON−BASED, FUEL-RICH PROPELLANTS
International Journal of Energetic Materials and Chemical Propulsion, Vol.15, 2016, issue 3
Anu Abirami, R. V. Singh, Prashant S. Kulkarni, Mehilal, N. T. Agawane, R. R. Soman, Jagdish G. Bhujbal
VISUALIZATION AND ANALYSIS OF THE MOTION OF BURNING PARTICLES IN THE COMBUSTION CHAMBER OF A RAPID COMPRESSION MACHINE
Journal of Flow Visualization and Image Processing, Vol.23, 2016, issue 1-2
V. V. Leschevich, Nikita A. Fomin, Oleg G. Penyazkov, Sergey Yu. Shimchenko