کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
200919 | 460525 | 2016 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A reliable method for prediction of enthalpy of fusion in energetic materials using their molecular structures
ترجمه فارسی عنوان
یک روش قابل اعتماد برای پیش بینی انتپالپی فیوژن در مواد پر انرژی با استفاده از ساختار مولکولی آن است
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کلمات کلیدی
انطباق فیوژن، مواد مغذی ساختار مولکولی، همبستگی،
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
چکیده انگلیسی
A new method is introduced to predict the enthalpy of fusion of energetic materials, which can undergo very rapid and highly exothermic reactions. It can be applied for different classes of energetic compounds including polynitro arenes, polynitro heteroarenes, acyclic and cyclic nitramines, nitrate esters, nitroaliphatics, cyclic and acyclic peroxides as well as nitrogen rich compounds. This model is based on linear combination of elemental composition as additive part and two correcting functions as non-additive contributions, which depend on intermolecular interactions. It can be easily applied for energetic compounds containing complex molecular structure. For 194 different energetic compounds (corresponding to 233 measured values), the predicted results of this simple model, on the basis of additive contribution and correcting functions, give more reliable results as compared to two of the best available predictive methods.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fluid Phase Equilibria - Volume 427, 15 November 2016, Pages 46-55
Journal: Fluid Phase Equilibria - Volume 427, 15 November 2016, Pages 46-55
نویسندگان
Mohammad Hossein Keshavarz, Ali Reza Akbarzadeh, Rahmatollah Rahimi, Mohammad Jafari, Matin Pasandideh, Roohollah Sadeghi,