Highly insensitive and thermostable energetic coordination nanomaterials based on functionalized graphene oxides

Yan, Qi‐Long; Cohen, A.; Petrutik, Natan; Shlomovich, Avital; Burstein, L.; Pang, Siping

doi:10.1039/c6ta03510h

Cited by 62 publications

(57 citation statements)

References 56 publications

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“…Consequently, according to the abovementioned structural optimization results, actual TAG molecules can be obtained. Based on the work of Yan et al, 6 graphene oxide was graed with TAG molecules to form GO-TAG molecules, and geometric optimization was performed. Then, we carried out isothermal-isobaric (NPT) MD simulation with a 0.25 fs time step to relax the internal stresses and to obtain the initial structures of TAG, GO and GO-TAG.…”

Section: Simulation Detailsmentioning

confidence: 99%

“…[3][4][5] To further enhance the catalytic activity of GO, graphene oxide functionalized with triaminoguanidine (GO-TAG) has been synthesized and has high catalytic activity. 6,7 TAG is an energetic, nitrogen-rich, ammable compound. 8 Energetic derivatives of TAG usually have high positive enthalpy, good thermal stability and a high nitrogen content.…”

Section: Introductionmentioning

confidence: 99%

“…These studies indicate that graphene has a good catalytic effect on EMs and can decrease their decomposition temperatures, which implies that graphene is important for improving the combustion performance of propellants. Yan et al 6 studied the synthesis and properties of GO-TAG-Cu(II)/ Cu(I). They used TAG as an energetic ligand to functionalize with GO and then coordinate with Cu ions.…”

Section: Introductionmentioning

confidence: 99%

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Study on the thermal decomposition mechanism of graphene oxide functionalized with triaminoguanidine (GO-TAG) by molecular reactive dynamics and experiments

Chong-min

Yan

et al. 2019

RSC Adv.

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Graphene oxide (GO) has a catalytic effect on the thermal decomposition of energetic materials above the melting point. To further enhance the catalytic activity of GO, it has been functionalized with the high nitrogen ligand triaminoguanidine (TAG). However, theoretical studies on the reactivity of functionalized GO (e.g., GO-TAG) have not been carried out. Therefore, the thermal decomposition of each TAG, GO and GO-TAG is studied by molecular dynamic simulations using a reactive force-field (ReaxFF) with experimental verification, and the results are reported herein. The results show that the GO nanolayer has a tendency to aggregate into a large carbon cluster during its degradation. The main decomposition products of TAG are NH 3 , N 2 and H 2 . For GO-TAG, the main decomposition products are H 2 O, NH 3 , N 2 and H 2 . GO has a significant acceleration effect on the decomposition process of TAG by decreasing the decomposition temperature of TAG. This phenomenon is in agreement with the experimental results.The initial decomposition of TAG is mainly caused by hydrogen transfer in the molecule. The edge carbon atoms of GO promote the decomposition of TAG molecules and reduce the decomposition activation energy of TAG by 15.4 kJ mol À1 . Therefore, TAG will quickly decompose due to the catalytic effect of GO. This process produces a "new" GO that catalyzes the decomposition of components such as TAG. At the same time, many free radicals (HN 2 , H 2 N and free H) are generated during the decomposition of TAG to catalyze the decomposition of other components, which in turn, enhance the catalytic capability of GO. † Electronic supplementary information (ESI) available. See

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Section: Simulation Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Study on the thermal decomposition mechanism of graphene oxide functionalized with triaminoguanidine (GO-TAG) by molecular reactive dynamics and experiments

Chong-min

Yan

et al. 2019

RSC Adv.

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“…Recently, functional carbon materials, such as activated charcoal (AC), graphite (G), graphene (GR), carbon nanotubes (CNTs), graphene oxide (GO), graphene nanosheets (GNs), have been extensively studied as additives to improve the burning, sensitivity and thermal performances of propellants and explosives [16][17][18][19]. Thanks to the high thermal conductivity and lubricating effect resulted from the layered structure [20], some functional carbon materials can provide great potential to reduce the friction sensitivity of UF-AP. Besides, 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is known as the most insensitive energetic material, which has been proved efficient to reduce the sensitivity of high explosives with slight energy loss [21].…”

Section: Introductionmentioning

confidence: 99%

Efficient Sensitivity Reducing and Hygroscopicity Preventing of Ultra‐Fine Ammonium Perchlorate for High Burning‐Rate Propellants

Yang

Gong

Ding

et al. 2017

Propellants Explo Pyrotec

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In this research, several inert materials, including some functional carbon materials, paraffin wax and the well‐known insensitive energetic material 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB) were selected to reduce the undesirable high sensitivity and hygroscopicity of ultra‐fine ammonium perchlorate (UF‐AP) via polymer modified coating. Structure, sensitivity, thermal and hygroscopicity performances of the UF‐AP based composites were systematically studied by scanning electron microscopy, sensitivity tests, thermal experiments, contact angle, and hygroscopicity analysis. The results showed that both the impact and friction sensitivity of UF‐AP can be remarkably reduced, respectively, with only a small amount of 2 % (in mass) desensitization agents. Meanwhile, improved thermal decomposition was gained, and the hygroscopicity can also be reduced to a large extent. Propellants containing 10 % coated UF‐AP in mass were processed and tested, the burning rate reached 45.7 mm s−1, 50 % higher compared with that of normal AP, with remarkably reduced impact sensitivity from 11.5 J to 29.6 J and friction sensitivity from 76 % to 28 %.

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“…The main function of a combustion catalyst is to tailor the burning rate and reduce the pressure exponent (n) of a solid propellant. In this context, lead(II) and copper(II) salts, including inorganic and organic compounds, have been widely investigated and are considered to be the most popular and efficient combustion catalysts for double-base (DB) and composite modified doublebase (CMDB) propellants [13][14][15][16][17][18][19]. Specifically, some inorganic metal oxides and organic carboxylic acid metal salts are the preferred choices in DB and CMDB propellants, and include lead oxide (PbO) [20], copper oxide (CuO) [21], lead carbonate (PbCO 3 ), phthalic acid lead salt (φ-Pb) and adipic acid copper salt (β-Cu) [22,23].…”

Section: Introductionmentioning

confidence: 99%

Unravelling the Effect of Anthraquinone Metal Salts as Wide-range Plateau Catalysts to Enhance the Combustion Properties of Solid Propellants

Wang¹,

Yan²,

An³

et al. 2018

Cent. Eur. J. Energ. Mater.

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Novel lead and copper salts based on anthraquinone, including 1,8-dihydroxyanthraquinone,1,4,5,8-tetrahydroxyanthraquinone and 1,8-dihydroxy-4,5-dinitroanthraquinone, were prepared and characterized by Fourier transform infrared spectroscopy (FTIR), elemental analysis (EA), and X-ray fluorescence (XRF). The catalytic effects of these compounds on the decomposition of nitrocellulose (NC) and on the combustion properties of double-base (DB) and composite modified double-base (CMDB) propellants were comprehensively investigated. The results demonstrated that the burning rate is significantly increased (by 200%) in the lower pressure range (2-6 MPa) as compared to the control systems without added anthraquinone-based salts. Concurrently, the pressure exponents (n) were obviously lower, exhibiting a "wide-range plateau" combustion phenomenon in the middle-pressure region. Specifically, for the DB propellants such a plateau region extended from 10 MPa to 16 MPa for n equal to 0.10, from 10 MPa to 18 MPa for n equal to 0.11 and from 8 MPa to 18 MPa when n is 0.05. In the case of RDX-CMDB propellants, the plateau was found to be in the range 6-18 MPa, with n in the range 0.16-0.27, depending on the type of catalyst, in contrast to the reference CMDB sample, which was characterized by n equal to 0.7 for the same pressure range.

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Highly insensitive and thermostable energetic coordination nanomaterials based on functionalized graphene oxides

Abstract: GO-based energetic coordination polymers are very insensitive to heat and impact due to the high capacity of energy dissipation of GO sheets (M = Cu2+, Ni2+, Co2+ and Fe2+).

Cited by 62 publications

References 56 publications

Study on the thermal decomposition mechanism of graphene oxide functionalized with triaminoguanidine (GO-TAG) by molecular reactive dynamics and experiments

Study on the thermal decomposition mechanism of graphene oxide functionalized with triaminoguanidine (GO-TAG) by molecular reactive dynamics and experiments

Efficient Sensitivity Reducing and Hygroscopicity Preventing of Ultra‐Fine Ammonium Perchlorate for High Burning‐Rate Propellants

Unravelling the Effect of Anthraquinone Metal Salts as Wide-range Plateau Catalysts to Enhance the Combustion Properties of Solid Propellants

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