A novel high-energetic and good-sensitive cocrystal composed of CL-20 and TATB by a rapid solvent/non-solvent method

Xu, Haifeng; Duan, Xiaohui; Li, Hongzhen; Pei, Chonghua

doi:10.1039/c5ra17578j

Cited by 86 publications

(63 citation statements)

References 54 publications

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“…The spectrum shows that there is no measurable change in the position of absorption bands and new bands formation in this chemical structure. The results are in good agreement with that of commercially pure TATB [37,38]. …”

Section: Reaction Mechanismssupporting

confidence: 80%

Investigations on Chemical, Thermal Decomposition Behavior, Kinetics, Reaction Mechanism and Thermodynamic Properties of Aged TATB

Singh¹,

Kaur²,

Sarkar³

et al. 2018

Cent. Eur. J. Energ. Mater.

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1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is a kind of insensitive high explosive that can be used as an energetic material in nuclear weapon and space applications. In this work, we have studied the effect of aging on the properties of TATB from a 20 year old lot that had been in direct contact with casing and natural environment conditions. The kinetics was studied using the temperature at the maximum reaction rate (peak) and isoconversional methods from TGA and DTA data obtained at five heating rates under a nitrogen atmosphere. The properties investigated for thermal stability indicate that there is no change in the properties during prolonged exposure in natural environment conditions. The activation energy calculated by the Kissinger method was 179.9 kJ·mol −1 by DTG and the 176.9 kJ·mol −1 by DTA. The experimental results of kinetic analysis obtained by isoconversional methods are in good agreement and very close to each other. In the analysis of reaction mechanisms, the reaction models could be probably best described by a surface contraction mechanism using the Coats-Redfern and Criado methods. The thermodynamic parameters such as Gibbs free energy, enthalpy and entropy of activation were also investigated. The self-accelerating decomposition temperature (TSADT) and critical temperature for thermal explosion (Tb) were also calculated.

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Section: Reaction Mechanismssupporting

confidence: 80%

Investigations on Chemical, Thermal Decomposition Behavior, Kinetics, Reaction Mechanism and Thermodynamic Properties of Aged TATB

Singh¹,

Kaur²,

Sarkar³

et al. 2018

Cent. Eur. J. Energ. Mater.

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“…This compound also shows remarkable insensitivity towards external stimuli with the theoretical performance level exceeding that of the currently used powerful military explosives such as RDX, HMX, CL‐20 etc . Researchers from USA reported the synthesis of powerful energetic materials such as CL‐20 . The sensitivity characteristic properties and cost of CL‐20 limits the use of CL‐20 in explosives and propellant formulations unless it is used in combination with the binders such as hydroxyl terminated polybutadiene (HTPB).…”

Section: Introductionmentioning

confidence: 99%

TGA, DSC and DFT Studies of TKX‐50, ABTOX and Their Key Precursors

et al. 2018

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TKX‐50 (Dihydroxylammonium 5,5’‐bistetrazolate‐1,1’‐dioxide) and ABTOX (Diammonium salt of 5,5’‐bistetrazole‐1,1′‐diolate) being simple and cheap to prepare from commonly available chemicals, are emerging as promising energetic materials along with the advantages like required thermal insensitivity, low toxicity and safe handling. In order to synthesize such powerful materials with utmost care, it is essential to know about the precursors and reaction intermediates involved. Therefore, the detailed thermal analyses of various precursors such as glyoxime (I), dichloroglyoxime (II), diazidoglyoxime (III) and bistetrazoledihydroxide (IV) and final products viz., TKX‐50 (V) and ABTOX (VI) were carried out using differential scanning calorimetric and thermal gravimetric analysis experiments. The relative trend of band gap values calculated from the difference of HOMO and LUMO is well correlated with the decomposition temperatures (Tmax) values at a heating rate of 10 °C min−1 indicating the relative thermal stability of I–VI. The impact and friction sensitivity of ABTOX and TKX‐50 indicated that these compounds are safer than the currently known powerful explosives such as CL‐20. The calculated density impulse of TKX‐50 in rocket propellant formulations was found to be 499 g m−2 s−1 which is similar as that of HMX (494 g m−2 s−1). The theoretical performance prediction of TKX‐50 as the potential ingredient in gun propellant formulations indicated that the TKX‐50 could yield higher force constant (1471 J K−1) in comparison to currently known explosive such as RDX (1412 J K−1).

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“…Negativne karakteristike BTF-a se ogledaju u slaboj tečljivosti (fluidnosti), niskoj kristalnoj gustini i izraženoj osjetljivosti u idnosu na CL-20. Hemijska struktura BTF-a je prikazana na slici 8 [66]. Ispitivanje termičkog razlaganja kokristala CL-20/BTF su vršena simulacijom termičkog raspada kokristala korištenjem modela polja reakcionih sila (ReaxFF/lg reaction force field).…”

Section: Slika 7 Međumolekulske Interakcije Između Susjednih Molekulunclassified

Co-crystal explosives-explosives improved characteristics

Mićin¹

2017

J. eng. process. manag.

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Ključne riječi:eksplozivi, kokristalni eksplozivi. IzvodEksplozivne materije predstavljaju značajnu grupu jedinjenja posmatrano sa stanovišta proizvodnje, skladištenja, transporta i upotrebe. Istraživanje i razvoj sekundarnih eksploziva u prethodnom vremenskom periodu je intenzivirano sa ciljem dobijanja eksplozivnih jedinjena poboljšanih fizičkih, hemijskih i eksplozivnih karakteristika. Jedan od pravaca razvoja predstavljaju istraživanja u oblasti kokristala. U ovom radu su prikazani literaturni rezultati dosadašnjih istraživanja kokristala savremenih konvencionalnih eksploziva. Predstavljene su kokristalna jedinjenja CL-20, oktogena (HMX), TKX-50, trotila (TNT) i pojedinih eksplozivnih jedinjenja koji se upotrebljavaju u manjem obimu. Analiza rezultata ispitivanja kristalnih struktura, intermolekularnih interakcija, mehaničke osjetljivosti, termičke dekompozicije, reakcionih mehanizama stvranja produkata i eksplozivnih karakteristika ukazuju na poboljšana svojstva kokristalnih eksploziva u odnosu na komponente koje ga sačinjavaju. 1.UVODMaterijali koji posjeduju visok nivo hemijske energije unutar molekulskih struktura, koja se procesima gorenja ili eksplozije oslobađa u vidu velike količine gasova sa veoma visokim temperaturama i pritiscima predstavljaju klasu jedinjenja pod nazivom energetski materijali (eksplozivi, goriva,pirotehničke materije) [1,2]. Pojam eksploziv označava hemijsko jedinjenje ili homogenu smjesu hemijskih jedinjenja koje za veoma kratko vrijeme može da razvije veliku količinu gasova visokih temperatura [3], odnosno hemijski spojevi ili smjese koje detoniraju usled djelovanja vanjskog impulsa [4]. Eksplozivne materije mogu se okarakterisati i kao jedinjenja ili smjese koje su relativno stabilni i sposobni da pod dejstvom spoljnih uticaja vrlo brzo pređu u stabilnije stanje, pri čemu se oslobađa velika količina toplote i gasova sabijenih pod visokim pritiskom, a koji su u stanju da u procesu eksplozije, u vrlo kratkom vremenu ostvare razorne efekte nad okolinom [5]. U skladu sa zahtijevima, istraživanje i razvoj savremenih energetskih materijala, ima za cilj dobijanje materija željenih karakteristika u zavisnosti od njihove primjene. Veomo široko područje upotrebe sekundarnih eksploziva u privredne, vojne i industrijske svrhe svrstava ih u jedinjenja od naročitog značaja. Imajući u vidu proces proizvodnje, skladištenja, transporta, manipulacije i primjene, značajne karakteristike sekundarnih eksploziva podrazumjevaju termičku, hemijsku i mehaničku stabilnost, gustinu, bilans kiseonika, specifičnu toplotu i temperaturu eksplozije (sagorjevanja), specifičnu gasnu zapreminu, specifični pritisak, specifični i totalni impuls, brzinu sagorjevanja i detonacije [3]. Istraživanja u pravcu razvoja sekundarnih eksploziva poboljšanih karakteristika su vršena sa ciljem smanjenja osjetljivosti i istovremeno zadržavanjem ili povećanjem eksplozivnih karakteristika u odnosu na konvencionalne eksplozive kao i sa aspekta zaštite životne sredine [6,7,8,9,10]. U savremene konvencionalne sekundarne eksplozive,...

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A novel high-energetic and good-sensitive cocrystal composed of CL-20 and TATB by a rapid solvent/non-solvent method

Abstract: In this work, through a rapid nucleation solvent/non-solvent process, a novel CL-20/TATB cocrystal explosive has been successfully prepared with a detonation performance superior to HMX and an impact sensitivity almost the same as HMX.

Cited by 86 publications

References 54 publications

Investigations on Chemical, Thermal Decomposition Behavior, Kinetics, Reaction Mechanism and Thermodynamic Properties of Aged TATB

Investigations on Chemical, Thermal Decomposition Behavior, Kinetics, Reaction Mechanism and Thermodynamic Properties of Aged TATB

TGA, DSC and DFT Studies of TKX‐50, ABTOX and Their Key Precursors

Co-crystal explosives-explosives improved characteristics

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