A new simple approach to predict entropy of fusion of nitroaromatic compounds

Keshavarz, Mohammad Hossein; Pouretedal, Hamid Reza

doi:10.1016/j.fluid.2010.06.024

Cited by 24 publications

(9 citation statements)

References 17 publications

(47 reference statements)

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“…For CHNO energetic compounds, it was indicated that elemental composition play an important rule in prediction of thermo-physical properties of phase transitions such as heat of fusion [27][28][29], enthalpy of sublimation [30][31][32] and entropy of fusion [33]. Moreover, elemental composition may also be used for forecasting toxicity of some classes of nitroaromatic compounds [26].…”

Section: The Effect Of the Number Of Carbon And Hydrogen Atomsmentioning

confidence: 99%

Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes

Keshavarz¹,

Gharagheizi²,

Shokrolahi³

et al. 2012

Journal of Hazardous Materials

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Section: The Effect Of the Number Of Carbon And Hydrogen Atomsmentioning

confidence: 99%

Accurate prediction of the toxicity of benzoic acid compounds in mice via oral without using any computer codes

Keshavarz¹,

Gharagheizi²,

Shokrolahi³

et al. 2012

Journal of Hazardous Materials

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“…Reliable estimation of sensitivity parameters of explosives is of utmost importance before their actual synthesis. Several theoretical or empirical methods have been introduced for the estimation of the various sensitivity parameters of nitroaromatic energetic compounds [3][4][5][6][7][8][9][10][11][12][13][14][15][16].…”

Section: Introductionmentioning

confidence: 99%

The Relationship between Impact Sensitivity of Nitroaromatic Energetic Compounds and their Electrostatic Sensitivity

Zohari

Seyedsadjadi

Marashi-Manesh

2016

Cent. Eur. J. Energ. Mater.

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This study presents a linear relationship between the impact sensitivity of nitroaromatic energetic compounds and their electric spark sensitivity. The methodology assumes that the impact sensitivity of a nitroaromatic energetic compound with the general formula CaHbNcOd can be expressed as a function of the electrostatic sensitivity, the number of NH2 group substitutions in the 2,4,6-trinitrophenyl ring and non-additive structural parameters. The root mean square and absolute standard deviation of a newly introduced correlation were respectively found to be 2.4 and 2.0 for 27 nitroaromatic energetic compounds. The proposed new correlation was also tested for 7 additional nitroaromatic energetic compounds, which have complex molecular structures such as 1-(2,4,6-trinitrophenyl)-5,7-dinitrobenzotriazole and 1,3,7,9-tetranitrophenoxazine.

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“…For example, some new simple predictive methods have been recently developed for desk calculations of phase change properties related to fusion of some classes of energetic compounds, e.g. normal melting point (Keshavarz, 2006;Keshavarz and Pouretedal, 2007), standard heat of fusion (Keshavarz, 2007;Keshavarz, 2008) and entropy of fusion (Keshavarz and Pouretedal, 2010;Keshavarz et al, 2013).…”

Section: Introductionmentioning

confidence: 99%