کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
581457 | 877844 | 2009 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Review of the establishment of nitro group charge method and its applications
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
بهداشت و امنیت شیمی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
On the basis of our previous work, a new approach, nitro group charge method (NGCM) is established and applied to understand, evaluate and predict the properties of nitro compounds or explosives, including molecular stability, impact sensitivity and nitrating reaction. At first, the more negative nitro charges (QNitro) correspond to the more stable nitro compounds. Secondly, for all nitro explosives in which the RNitro bond is the weakest, QNitro can be regarded as a structural parameter to assess and predict the impact sensitivity. The more negative QNitro means the higher H50. Thirdly, the conditions, the velocities and the products' occurrence ratios of some nitrating reactions can be approximately evaluated and compared using NGCM: the more negative QNitro corresponds to the easier and the faster reaction, and the higher occurrence ratio. Meanwhile, this idea of using charges on common atoms or groups to investigate related properties can be generalized to some other systems such as azide explosives.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Hazardous Materials - Volume 161, Issue 1, 15 January 2009, Pages 21-28
Journal: Journal of Hazardous Materials - Volume 161, Issue 1, 15 January 2009, Pages 21-28
نویسندگان
Chaoyang Zhang,