Literature DB >> 15363515

Thermochemical properties and non-isothermal decomposition reaction kinetics of 3,4-dinitrofurazanfuroxan (DNTF).

Zhao Feng-qi1, Chen Pei, Hu Rong-zu, Luo Yang, Zhang Zhi-zhong, Zhou Yan-shui, Yang Xu-wu, Gao Yin, Gao Sheng-li, Shi Qi-zhen.   

Abstract

The constant-volume combustion energy, DeltacU (DNTF, s, 298.15K) and kinetic behavior of the exothermic decomposition reaction of the title compound (DNTF) are determined by a precise rotating bomb calorimeter and DSC, respectively. Its standard enthalpy of combustion, DeltacHmtheta (DNTF, s, 298.15K), standard enthalpy of formation, DeltacHmtheta (DNTF, s, 298.15K) and kinetic parameters of the major exothermic decomposition reaction in a temperature-programmed mode [the apparent activation energy (Ea) and pre-exponential factor (A)] are calculated. The values of DeltacU (DNTF, s, 298.15K), DeltacHmtheta (DNTF, s, 298.15K), and DeltacHmtheta (DNTF, s, 298.15K) of DNTF are -9733.96 +/- 8.59 Jg(-1), -3018.29 +/- 2.68 kJ mol(-1), and 657.23 +/- 2.70 kJ mol(-1), respectively. The kinetic model function in integral form and the value of E(a) and A of the major exothermic decomposition reaction of DNTF are 1-(1-alpha)1/3, 177.03 kJ mol(-1) and 10(13.68)s(-1), respectively. The critical temperature of thermal explosion of DNTF is 240.6 degrees C.

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Year:  2004        PMID: 15363515     DOI: 10.1016/j.jhazmat.2004.07.009

Source DB:  PubMed          Journal:  J Hazard Mater        ISSN: 0304-3894            Impact factor:   10.588


  3 in total

Review 1.  Molecular Theory of Detonation Initiation: Insight from First Principles Modeling of the Decomposition Mechanisms of Organic Nitro Energetic Materials.

Authors:  Roman V Tsyshevsky; Onise Sharia; Maija M Kuklja
Journal:  Molecules       Date:  2016-02-19       Impact factor: 4.411

2.  Molecular Dynamics Simulations of the Thermal Decomposition of 3,4-Bis(3-nitrofurazan-4-yl)furoxan.

Authors:  Yang Li; Yucun Liu; Junming Yuan; Yiming Luo; Qiuli Jiang; Fanfan Wang; Jingwei Meng
Journal:  ACS Omega       Date:  2021-12-06

3.  Calculation of Five Thermodynamic Molecular Descriptors by Means of a General Computer Algorithm Based on the Group-Additivity Method: Standard Enthalpies of Vaporization, Sublimation and Solvation, and Entropy of Fusion of Ordinary Organic Molecules and Total Phase-Change Entropy of Liquid Crystals.

Authors:  Rudolf Naef; William E Acree
Journal:  Molecules       Date:  2017-06-25       Impact factor: 4.411

  3 in total

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