کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
581114 | 1453157 | 2009 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A new approach to predict the condensed phase heat of formation in acyclic and cyclic nitramines, nitrate esters and nitroaliphatic energetic compounds
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
بهداشت و امنیت شیمی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
This paper presents a new approach to predict the condensed phase heat of formation in important classes of energetic compounds including acyclic and cyclic nitramines, nitrate esters and nitroaliphatics. The condensed phase heat of formation has been expressed by a combination of a core heat of formation, which is a function of elemental composition of the energetic compound, and correction functions. The correction functions for some energetic compounds can have decreasing or increasing effects on the basis of thermodynamic stability. It has been shown that this model can offer reliable predictions for the above energetic compounds compared to the calculated outputs of the best recent empirical and complex quantum mechanical methods.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Hazardous Materials - Volume 171, Issues 1â3, 15 November 2009, Pages 140-146
Journal: Journal of Hazardous Materials - Volume 171, Issues 1â3, 15 November 2009, Pages 140-146
نویسندگان
Mohammad Hossein Keshavarz, Hossein Sadeghi,