کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
580260 1453150 2010 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Using molecular structure for reliable predicting enthalpy of melting of nitroaromatic energetic compounds
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی بهداشت و امنیت شیمی
پیش نمایش صفحه اول مقاله
Using molecular structure for reliable predicting enthalpy of melting of nitroaromatic energetic compounds
چکیده انگلیسی
In this work, a reliable simple method has been introduced for predicting enthalpy of melting of nitroaromatic energetic compounds through their molecular structures. This method can be used for a wide range of nitroaromatics including halogenated nitroaromatic compounds. The contribution of hydrogen bonding and polar groups as well as structural parameters can be used to improve the predicted values on the basis of the number of carbon, nitrogen and oxygen atoms. The predicted results show that this method gives reliable prediction of standard enthalpy of melting with respect to the best available methods for different nitroaromatic compounds including high explosives with complex molecular structures.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Hazardous Materials - Volume 178, Issues 1–3, 15 June 2010, Pages 264-272
نویسندگان
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