A New Model for Predicting Thermal Decomposition Temperature of Energetic Nitroaromatic Compounds

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ZOHARI N.; ABRISHAMI F.; BAHARVAND R.

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Journal: JOURNAL OF ENERGETIC MATERIALS Year:2018 | Volume:13 | Issue:2 (38) Page(s): 95-103

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Title

A New Model for Predicting Thermal Decomposition Temperature of Energetic Nitroaromatic Compounds

Author(s)

ZOHARI N. | ABRISHAMI F. | BAHARVAND R. | Issue Writer Certificate

Keywords

Energetic Nitroaromatic CompoundsQ1

Thermal Decomposition TemperatureQ1

Multiple Linear Regression MethodQ1

Abstract

In this study, a new simple model is proposed for predicting the Thermal Decomposition Temperature of Energetic Nitroaromatic Compounds. The results show that the elemental composition and several structural parameters have major effects on this model which is derived by multiple Linear Regression (MLR) approach. The determination coefficient of the model is 0. 940 for 29 compounds as training set. Furtheremore, the root mean square and absolute standard deviation of the proposed model are 9. 90 and 8. 44, respectively. The decomposition temperature of 7 energetic nitroaromatic with various chemical structure as test set, are predicted by the new model. The results show the high predicting ability of the model. The validation of the proposed model is investigated through cross validation method. The value of Q2 LOO and Q2 LMO as 0. 943 and 0. 946, respectively confirmed good validation of the model. The proposed model can also be applied for the design of novel Energetic Nitroaromatic Compounds having appropriate thermal stability.

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APA: Copy

ZOHARI, N., ABRISHAMI, F., & BAHARVAND, R.. (2018). A New Model for Predicting Thermal Decomposition Temperature of Energetic Nitroaromatic Compounds. JOURNAL OF ENERGETIC MATERIALS, 13(2 (38) ), 95-103. SID. https://sid.ir/paper/393075/en

Vancouver: Copy

ZOHARI N., ABRISHAMI F., BAHARVAND R.. A New Model for Predicting Thermal Decomposition Temperature of Energetic Nitroaromatic Compounds. JOURNAL OF ENERGETIC MATERIALS[Internet]. 2018;13(2 (38) ):95-103. Available from: https://sid.ir/paper/393075/en

IEEE: Copy

N. ZOHARI, F. ABRISHAMI, and R. BAHARVAND, “A New Model for Predicting Thermal Decomposition Temperature of Energetic Nitroaromatic Compounds,” JOURNAL OF ENERGETIC MATERIALS, vol. 13, no. 2 (38) , pp. 95–103, 2018, [Online]. Available: https://sid.ir/paper/393075/en

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