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Wyszukujesz frazę "Keshavarz, M. H." wg kryterium: Autor


Tytuł:
A Simple Method for Calculating the Detonation Pressure of Ideal and Non-Ideal Explosives Containing Aluminum and Ammonium Nitrate
Autorzy:
Jafari, M.
Keshavarz, M. H.
Powiązania:
https://bibliotekanauki.pl/articles/357978.pdf
Data publikacji:
2017
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
detonation pressure
ideal explosive
non-ideal explosive
cross-validation
Opis:
A general and simple method has been developed for calculating the detonation pressure of different kinds of ideal and non-ideal explosives containing aluminum (Al) and ammonium nitrate (AN). The new model can be applied to CHNO and CHNOFCl explosives in pure form or as mixtures as well as non-ideal mixed explosives including Al and AN. It can also be used for different plastic bonded explosives (PBXs). There is no need for any prior knowledge about the measured or calculated properties of the explosive. The only data needed are the standard enthalpy of formation and the loading density of the desired explosive. The predicted detonation pressures were compared with other predictive methods and outputs of BKWS-EOS, in both full and partial equilibrium. Different statistical parameters as well as cross validation parameters showed that the new model is precise, accurate, well-defined, and robust for predicting the detonation pressures of CHNOFCl(Al/AN) energetic materials.
Źródło:
Central European Journal of Energetic Materials; 2017, 14, 4; 966-983
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Thermochemical and Performance Properties of NO2-Substituted Borazines as New Energetic Compounds with High Thermodynamic Stability
Autorzy:
Zamani, M.
Keshavarz, M. H.
Powiązania:
https://bibliotekanauki.pl/articles/951505.pdf
Data publikacji:
2014
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
electrostatic potential
enthalpy sublimation
enthalpy formation
density
Opis:
The structural isomers of nitroborazines were optimized at M062X/6-311++G** level of theory. The effects of the NO2 group on the molecular volume, molecular surface area, crystal density, positive, negative and total average potentials, variances, average deviation and electrostatic balance parameter on the molecular surface were considered. In addition, some important thermodynamic properties of these compounds, such as gas phase and condensed phase enthalpies of formation (ΔfH° (g) and ΔfH° (c)), and the enthalpy of sublimation (ΔH° sub), were calculated. It was found that the crystal densities (ρ) are in the range 1.4471.902 g/cm3. These values are slightly smaller than the corresponding values of their carbon analogues (except for the mononitro compounds). Meanwhile, the values of ρ for B-substituted, di- and trinitroborazines are larger than the related N-substituted compounds. The calculated values of ΔH° sub are in the range 20.1-30.4 kcal/mol. The calculated values of ΔfH° (g) and ΔfH° (c) for the B-substituted nitroborazines are more negative than those for the N-substituted ones. The stability sequence of the hydrogen bonded network structures of nitroborazines in the condensed phase is: dinitroborazine > mononitroborazine > trinitroborazine. The detonation pressure and velocity of these compounds were also calculated. Nitroborazines can be introduced as energetic compounds with high thermodynamic stability and relatively low detonation performance.
Źródło:
Central European Journal of Energetic Materials; 2014, 11, 3; 363-381
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A Simple and Reliable Method for Predicting the Detonation Velocity of CHNOFCl and Aluminized Explosives
Autorzy:
Keshavarz, M. H.
Zamani, A.
Powiązania:
https://bibliotekanauki.pl/articles/951480.pdf
Data publikacji:
2015
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
decomposition reaction
heat of detonation
detonation velocity
CHNOFClAl explosive
loading density
Opis:
A reliable method is introduced for predicting the detonation velocity of CHNOFClAl explosives through suitable decomposition paths. The predicted decomposition products are used to estimate the heat of detonation (decomposition) and the detonation velocity. For non-ideal aluminized explosives, the Chapman-Jouguet detonation velocities are significantly different from those expected from existing thermodynamic computer codes for equilibrium and steady state calculations. The predicted detonation velocities give more reliable results for CHNO explosives than one of the best available empirical methods over a wide range of loading densities. The new model provides better agreement with respect to experimental values for aluminized explosives than the computed results from the BKWS equation of state using full and partial equilibrium of aluminium.
Źródło:
Central European Journal of Energetic Materials; 2015, 12, 1; 13-33
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Intermolecular Interactions between TNAZ and H2O: a DFT Study
Autorzy:
Oftadeh, M.
Selahvarzi, S.
Keshavarz, M. H.
Powiązania:
https://bibliotekanauki.pl/articles/358486.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
1,3,3-trinitroazetidine (TNAZ)/H2O complex
intermolecular interaction
DFT
natural bond orbital
thermodynamic properties
Opis:
All of the possible TNAZ/H2O complexes (1, 2 and 3), as well as the uncomplexed form, were fully optimized with the density functional method. Complex 3 was the most stable, with the largest corrected intermolecular interaction energy. Charge redistribution mainly occurs on the adjacent N–O...H atoms of the submolecules. Strong hydrogen bonds predominantly contribute to the interaction energies. It is energetically and thermodynamically unfavourable for TNAZ to bind with H2O and to form any stable complexes at room temperature.
Źródło:
Central European Journal of Energetic Materials; 2013, 10, 2; 289-300
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Prediction of the Condensed Phase Enthalpy of Formation of Nitroaromatic Compounds Using the Estimated Gas Phase Enthalpies of Formation by the PM3 and B3LYP Methods
Autorzy:
Oftadeh, M.
Keshavarz, M. H.
Khodadadi, R.
Powiązania:
https://bibliotekanauki.pl/articles/951504.pdf
Data publikacji:
2014
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
condensed phase enthalpy formation
gas phase enthalpy formation
nitroaromatic compounds
PM3
B3LYP
Opis:
A new method is introduced to correlate the condensed phase enthalpies of formation of nitroaromatic compounds with their gas phase enthalpies of formation on the basis of the B3LYP/6-31G* and PM3 methods. For the B3LYP method, the condensed phase enthalpy of formation depends on the number of certain elements, nitro groups and aromatic rings. For the PM3 method the number of N=N or N≡N groups, and the presence or absence of three interconnected rings, in addition to some of the parameters mentioned above, are necessary in order to obtain a reliable correlation. For 72 nitroaromatic compounds, the calculated root mean square (rms) deviations of the condensed phase enthalpies of formation of nitroaromatic compounds using the B3LYP and PM3 methods are 63.63 and 32.17 kJ/mol, respectively. The results predicted on the basis of the PM3 method are compared with the best available experimental data.
Źródło:
Central European Journal of Energetic Materials; 2014, 11, 1; 143-156
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A New Thermally-stable Insensitive High Explosive:N,N′-Bis(1,2,3,4-tetrazol-5-yl)-4,4′-diamino-2,2′,3,3′,5,5′,6,6′-octanitroazobenzene (BTeDAONAB)
Autorzy:
Mousavi, S.
Esmaeilpour, K.
Keshavarz, M. H.
Powiązania:
https://bibliotekanauki.pl/articles/951499.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
synthesis
BTeDAONAB
sensitivity
thermal stability
high explosive
Opis:
A novel high performance explosive compound, N,N′-bis(1,2,3,4-tetrazol5-yl)-4,4′-diamino-2,2′,3,3′,5,5′,6,6′-octanitroazobenzene( BTeDAONAB), is introduced which is a thermally stable, insensitive high explosive. The presence of −NH2, −N=N− groups and the tetrazole ring simultaneously in the BTeDAONAB unit surprisingly increases its thermal stability. For the identification and characterization of BTeDAONAB, different analytical techniques have been used, including melting point, IR, 1H NMR, 13C NMR spectroscopy, elemental analysis, differential thermal analysis (DTA), thermogravimetry (TG), differential scanning calorimetry (DSC) and X-ray diffraction (XRD). The sensitivity and detonation properties of BTeDAONAB were compared with 2,4,6-triamino1,3,5-trinitrobenzene (TATB) and N,N′-bis(1,2,4-triazol-3-yl-)-4,4′-diamino2,2′,3,3′,5,5′,6,6′-octanitroazobenzene (BTDAONAB), two well-known, thermally stable, insensitive high explosives, as well as hexanitrostilbene (HNS). These studies show that BTeDAONAB has favorable thermal stability with high performance.
Źródło:
Central European Journal of Energetic Materials; 2013, 10, 4; 455-465
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Some High Nitrogen Derivatives of Nitrotetrazolylimidazole as New High Performance Energetic Compounds
Autorzy:
Zohari, N.
Keshavarz, M. H.
Seyedsadjadi, S. A.
Powiązania:
https://bibliotekanauki.pl/articles/358162.pdf
Data publikacji:
2014
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
nitrotetrazolyl-imidazole
high energy material
performance
safety
thermochemical property
Opis:
This work introduces important properties of some new derivatives of nitrotetrazolyl-imidazole as high nitrogen energetic compounds, which are evaluated and discussed using some reliable models. The predicted properties are also compared with 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX). It is shown that some of these compounds can be seen as interesting organic explosives with relatively high performance and low sensitivity, which could be used for important industrial applications. Since some of the new compounds have a relatively good oxygen balance, the calculated specific impulses confirm that these compounds can be considered as suitable oxidizers in solid propellants.
Źródło:
Central European Journal of Energetic Materials; 2014, 11, 3; 349-362
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Prediction of the Density of Energetic Materials on the Basis of their Molecular Structures
Autorzy:
Rahimi, R.
Keshavarz, M. H.
Akbarzadeh, A. R.
Powiązania:
https://bibliotekanauki.pl/articles/358109.pdf
Data publikacji:
2016
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
crystal density
energetic compound
QSPR
MLR
ANN
Opis:
The density of an energetic compound is an essential parameter for the assessment of its performance. A simple method based on quantitative structure-property relationship (QSPR) has been developed to give an accurate prediction of the crystal density of more than 170 polynitroarenes, polynitroheteroarenes, nitroaliphatics, nitrate esters and nitramines as important classes of energetic compounds, by suitable molecular descriptors. The evaluation techniques included cross-validation, validation through an external test set, and Y-randomization for multiple linear regression (MLR) and training state analysis for artificial neural network (ANN), and were used to illustrate the accuracy of the proposed models. The predicted MLR results are close to the experimental data for both the training and the test molecular sets, and for all of the molecular sets, but not as close as the ANN results. The ANN model was also used with 20 hidden neurons that gave good result. The results showed high quality for nonlinear modelling according to the squared regression coefficients for all of the training, validation and the test sets (R2 = 0.999, 0.914 and 0.931, respectively). The calculated results have also been compared with those from several of the best available predictive methods, and were found to give more reliable estimates.
Źródło:
Central European Journal of Energetic Materials; 2016, 13, 1; 73-101
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The Advantages and Shortcomings of Using Nano-sized Energetic Materials
Autorzy:
Zohari, N.
Keshavarz, M. H.
Seyedsadjadi, S. A.
Powiązania:
https://bibliotekanauki.pl/articles/358244.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
energetic compounds
nanosized particles
sensitivity
burn
rate
thermal stability
Opis:
Energetic materials are substances that can store chemical energy in their chemical bonds. An ideal energetic material is a substance with high performance, safety and shelf life. Many recent researches have concentrated on the synthesis or the development of new energetic materials with optimized properties, such as thermal stability, sensitivity and burn rate. The reduction of the particle size of energetic materials from micron to nano-sized is one of the suitable approaches for obtaining desirable properties. Recent progress on the reduction of the particle size of energetic materials is reviewed in this work. The effects of nano-sized particles on the performance of energetic compounds are also investigated.
Źródło:
Central European Journal of Energetic Materials; 2013, 10, 1; 135-147
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
An Improved Simple Method for the Calculation of the Detonation Performance of CHNOFCl, Aluminized and Ammonium Nitrate Explosives
Autorzy:
Keshavarz, M. H.
Kamalvand, M.
Jafari, M.
Zamani, A.
Powiązania:
https://bibliotekanauki.pl/articles/358804.pdf
Data publikacji:
2016
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
decomposition reaction
detonation velocity
ideal explosive
non-ideal explosive
safety
Opis:
An improved simple method is presented for calculation of the detonation velocity of CHNO and CHNOFCl explosives, as well as non-ideal explosives containing aluminum (Al) and ammonium nitrate (AN) additives. In contrast to the available complex computer codes, where the estimated detonation velocities of non-ideal explosives for equilibrium and steady state calculations show significant differences from the measured data, this simple method gives more reliable results. Suitable decomposition paths are suggested in which the partial interaction of Al with the gaseous products and the decomposition of AN are assumed for composite explosives containing Al/AN additives. The predicted detonation velocities using the new method are good compared to those from one of the well-known empirical methods and from computer codes using full and partial equilibrium of Al/AN.
Źródło:
Central European Journal of Energetic Materials; 2016, 13, 2; 381-396
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A New Method for Predicting the Friction Sensitivity of Nitramines
Autorzy:
Keshavarz, M. H.
Hayati, M.
Ghariban-Lavasani, S.
Zohari, N.
Powiązania:
https://bibliotekanauki.pl/articles/358230.pdf
Data publikacji:
2015
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
friction sensitivity
nitramine
correlation
safety
Opis:
This study presents a new simple correlation between friction sensitivity of nitramines and their molecular structures. This novel correlation can help chemists and chemical engineers to predict the friction sensitivity of new nitramines without using any experimental data, which is important for safety in industrial processes. The new correlation can also help to elucidate the mechanism of initiation of energetic materials by frictional stimuli. This new method assumes that friction sensitivity of a nitramine of general formula CaHbNcOd can be expressed as a function of the optimized elemental composition and the contributions of specific molecular structural parameters. The new correlation has root mean square and average deviations of 7.64 and 6.44 J, respectively, for 20 nitramines with different molecular structures. The proposed new method was also tested for 11 nitramines containing complex molecular structures.
Źródło:
Central European Journal of Energetic Materials; 2015, 12, 2; 215-227
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Modelling of the Effect of Concentrated Nitration Conditions on the Efficiency of the Production of ,7-Dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT)
Autorzy:
Hadi, Z.
Esmaeilpour, K.
Damiri, S.
Afzali, A.
Keshavarz, M. H.
Powiązania:
https://bibliotekanauki.pl/articles/358746.pdf
Data publikacji:
2018
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
DPT
CCD
optimization
production capacity
efficiency
Opis:
3,7-Dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT) is one of the most important intermediates in the synthesis of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). A suitably modified Bachmann process, nitrolysis of solid hexamine in the presence of ammonium nitrate-nitric acid and acetic anhydride on a laboratory scale, is introduced to increase the efficiency, production capacity and purity of the DPT produced. Various quantitative and qualitative analytical methods were used for the identification and quality control of the product. A central composite design (CCD) of experiments was used to optimize the production process, increasing the production capacity, reducing the amount of acetic acid as the reaction medium to a suitable limit, and examining the effects of the main factors impacting on the efficiency of the nitration, e.g. the volume of ammonium nitrate-nitric acid solution, nitration temperature reactor addition time and volume of acetic anhydride. The overall results indicated that DPT was obtained with an efficiency of 64.58% and a production capacity of 20.77 (100 g·mL−1).
Źródło:
Central European Journal of Energetic Materials; 2018, 15, 1; 72-84
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Increasing the Efficiency of the Production of 1,3,5,7-Tetranitro-1,3,5,7-tetrazocane (HMX)
Autorzy:
Afzali, A.
Esmaeilpour, K.
Damiri, S.
Hadi, Z.
Keshavarz, M. H.
Powiązania:
https://bibliotekanauki.pl/articles/358873.pdf
Data publikacji:
2016
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
design of experiment
efficiency, production capacity 1,3,5,7-tetranitro-1,3,5,7-tetrazocane 3,7-dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane
Opis:
This work introduces a suitable method for the optimization of selective synthesis of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX), as one of the most well-known high explosives, from the aspects of production capacity and efficiency, by nitration of 3,7-dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT). The effective factors in the productive capacity of HMX and the synthesis of a product from raw DPT with high capacity, purity, and efficiency have been identified. The required qualitative and quantitative analyses were performed for the identification and confirmation of the product quality. In order to optimize the process of increasing the capacity of HMX production and evaluation of the effects of different factors on the production capacity, a series of experiments were designed and performed by using central composite design (CCD). Practical studies and statistical analyses showed good conformity between the model presented and the actual results, allowing the selective production of HMX with an efficiency of greater than 70% and a high production capacity.
Źródło:
Central European Journal of Energetic Materials; 2016, 13, 4; 845-858
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Novel High-Nitrogen Content Energetic Compounds with High Detonation and Combustion Performance for use in Plastic Bonded Explosives (PBXs) and Composite Solid Propellants
Autorzy:
Keshavarz, M. H.
Abadi, Y. H.
Esmaeilpour, K.
Damiri, S.
Oftadeh, M.
Powiązania:
https://bibliotekanauki.pl/articles/358704.pdf
Data publikacji:
2018
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
tetrazoles derivatives
detonation performance
combustion performance
sensitivity
Opis:
Five novel high-nitrogen content (N>50%) derivatives of tetrazole are introduced in the study reported here. The assessment of various properties of these compounds were performed, which include physicothermal properties (crystal density, condensed phase heat of formation, melting point, enthalpy of fusion and entropy of fusion), detonation performance (velocity and pressure of detonation, detonation temperature and power), sensitivity with respect to external stimuli (impact, shock, friction and electric spark) and combustion performance (specific impulse). The predicted results of these compounds are compared with dihydroxylammonium 5,5’-bistetrazole-1,1’-diolate (TKX-50) and octanitro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) as a high performance ionic salt and a neutral explosive, respectively. The novel energetic compounds were found to have higher detonation and combustion performance than either TKX-50 or HMX. The new explosives are therefore good candidates to obtain high detonation and combustion performance in plastic bonded explosives (PBXs) and composite solid propellants, respectively.
Źródło:
Central European Journal of Energetic Materials; 2018, 15, 2; 364-375
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A Novel Method for the Prediction of the Impact Sensitivity of Quaternary Ammonium-based Energetic Ionic Liquids
Autorzy:
Keshavarz, M. H.
Esmaeilpour, K.
Khoshandam, H.
Keshavarz, Z.
Atabak, H. H.
Damiri, S.
Afzali, A.
Powiązania:
https://bibliotekanauki.pl/articles/357934.pdf
Data publikacji:
2017
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
Tematy:
correlation
quaternary ammonium-based energetic ionic liquid
impact sensitivity
safety
Opis:
Impact sensitivity is an important safety parameter for the assessment of the hazards of working with new energetic compounds including ionic molecular energetic materials. This paper introduces two novel simple correlations to assess the impact sensitivity of quaternary ammonium-based energetic ionic liquids, which are based on the elemental composition of cations and anions divided by the molecular weight of a desired ionic liquid as well as the contribution of specific cations and anions. For 72 ionic molecular systems as a training set, the root mean square (rms) deviations of predictions for these models relative to experiment are 11 J and 6 J, respectively. The reliability of the models has also been tested for a further three ionic compounds containing complex structures, which give rms deviations of 12 J and 6 J, respectively, with respect to the measured data. The results of the current study indicate that the accuracy of this novel method for the prediction of the impact sensitivity of quaternary ammonium-based energetic ionic liquids is not necessarily enhanced by greater complexity.
Źródło:
Central European Journal of Energetic Materials; 2017, 14, 3; 520-533
1733-7178
Pojawia się w:
Central European Journal of Energetic Materials
Dostawca treści:
Biblioteka Nauki
Artykuł

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