Synthesis and Characterization of a New Co-Crystal Explosive with High Energy and Good Sensitivity

Gao, Han; Jiang, Wei; Liu, Jie; Hao, Gazi; Xiao, Lei; Ke, Xiang; Chen, Teng

doi:10.1080/07370652.2017.1290712

Cited by 18 publications

(21 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…From the present investigation and the results obtained, it is envisaged that the formation of EECC with ϵ‐CL‐20 and RDX in the ration of 1 : 1 takes place with 100 times the weight tried earlier and is confirmed on the basis of spectral and other analytical techniques. The phase change from ϵ→α is also observed during the formation of EECC and it is supported by the XRD and FTIR results.…”

Section: Resultssupporting

confidence: 75%

See 1 more Smart Citation

Studies and Theoretical Optimization of CL‐20 : RDX Cocrystal

Viswanath

Shanigaram

Vijayadarshan

et al. 2019

Propellants Explo Pyrotec

View full text Add to dashboard Cite

CL-20 among other nitramines is highly energetic along with the high positive heat of formation, and is a green energetic material employed as solid propellant [1][2][3]. However, it suffers basically from mechanical sensitivity and cost of synthesis. Cocrystallization of CL-20 with other suitable HEMs and LEMs is considered as the best crystal engineering technique to reduce its sensitivity [2,[4][5][6] as it masks crystal defects which in turn are responsible for mechanical sensitivity. The present investigation reports on the scale up process for the synthesis of Energy-Energy Cocrystallization (EECC) of ɛ-CL-20 and RDX and focus on the process to optimize the structure and energetics of thus formed cocrystal (CRCC) through DFT study. In our study CL-20 and RDX are taken in 1 : 1 molar ratio as sug-gested by . We claim successful scale up of cocrystallization to the earlier report [4] employing a more user friendly solvent (acetone) in the present study and the cocrystal formed was through ultra centrifugation. During the course of the cocrystal formation a phase transition from ɛto α took place. The Trauzl lead block tests on CRCC support the better performance of the synthesised EECC. Introducing shock tube test as the parameter to claim the strength of HEMs enhances the comparability [8]. The present report envisages and collaborates the synthesised CRCC through the theoretical study in arriving at the spatial conformation leading to optimization in structure and energy of the synthesized EECC.Keywords: Low sensitive High Energy Material (LSHEM) · Cocrystallization · Secondary bonding · Theoretical structure optimization · Gaussian [a] J.

show abstract

Section: Resultssupporting

confidence: 75%

“…Though Han Gao et al. have reported the synthesis of CL‐20 and RDX cocrystal, an approach for scale up and theoretical optimization supports its applicability further. Change in the solvent employed in the earlier report embraces the solvent effect on cocrystallization and CL‐20 phase transition.…”

Section: Introductionmentioning

confidence: 99%

Studies and Theoretical Optimization of CL‐20 : RDX Cocrystal

Viswanath

Shanigaram

Vijayadarshan

et al. 2019

Propellants Explo Pyrotec

View full text Add to dashboard Cite

show abstract

“…Liu et al confirmed that the crystal morphologies have a significant impact on the sensitivity by culturing the plate and rod crystals of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) grown in water/acetic acid and water/ethanol solvents, respectively 30 . Similar results were observed for the morphologies of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) and cocrystals of CL-20 and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) 31 . Improving the crystal quality of the explosive (controlling the crystal morphology, eliminating crystal defects, etc.)…”

supporting

confidence: 80%

Crystal Morphology Prediction and Anisotropic Evolution of 1,1-Diamino-2,2-dinitroethylene (FOX-7) by Temperature Tuning

Song

Zhao²,

Xu³

et al. 2020

Sci Rep

View full text Add to dashboard Cite

Temperature-induced morphological changes are one of the strategies for designing crystal shapes, but the role of temperature in enhancing or inhibiting crystal growth is not well understood yet. To meet the requirements of high density and low sensitivity, we need to control the crystal morphology of the energetic materials. We studied the crystal morphology of 1,1-diamino-2,2-dinitroethylene (FOX-7) in dimethyl sulfoxide/water mixed solvent by using the modified Hartman-Perdok theorem. Molecular dynamics simulations were used to determine the interaction of FOX-7 and solvents. The results showed that the crystal shape of FOX-7 is hexagonal, the (101) face is the largest exposed face and is adjacent to six crystal faces at 354 K. As the temperature goes down, the area of the (001) face is significantly reduced. The crystal morphology of FOX-7 at 324 K has a smaller aspect ratio of 4.72, and this temperature is suitable for tuning the morphology from slender hexagon into diamond. The prediction results are in remarkable agreement with the experiments. Moreover, we predicted the evolution path of FOX-7 morphology by Gibbs-Curie-Wulff theorem and explained the variation of crystal shape caused by different external conditions in the actual crystallization process. Crystallization as a green separation process is characterized by low energy consumption and high efficiency 1-3. The growth shape that a crystal obtains in the course of its formation is also highly sensitive to growth conditions, and reflects the growth mechanism, as does the surface morphology 4-7. Therefore, the growth shapes make it possible to judge the formation conditions and to correct the growth parameters in experiment. Based on the periodic bond chain (PBC) theory, Hartman and Perdok stated that the growth rate of a face is lower if fewer chains of strong bonds cross this face 8,9. This is the well-known Hartman-Perdok theorem (H-P theorem). The equilibrium crystal morphology can be determined by calculating the attachment energy. Gibbs stated that the polyhedral features of the crystal shape reduce the total surface energy. Curie defined that the normal growth rate of the crystal face is in proportion to the surface free energy 10. Wulff further proved that the distance from the crystal center to crystal face is proportional to the specific surface free energy in equilibrium 11. This relationship is also called the Gibbs-Curie-Wulff theorem 12,13. The prediction and regulation of crystal morphology is essential in the fields of pharmaceuticals 14,15 , catalysis 16,17 , functional ceramics 18 , thin film materials 19 , energetic materials 20,21 , etc. For example, the crystal morphologies influence the sensitivity of the energetic materials. In the formation of a drug product, crystals with high aspect ratio shapes are troublesome in the subsequent processing steps. In the field of catalysis, it is efficient for the catalyst to expose more active crystal face. Anisotropic morphologies, especially the large aspect ratio of one-dimensional needl...

show abstract

“…2,4,6,8,10,12-Hexanitrohexaazaisowurtzitane, a polycyclic nitramine, commonly referred to as CL-20, is often found in these energetic-energetic co-crystals. CL-20 is currently the most powerful commercially available explosive, making it a major focus of cocrystallization efforts [1,[3][4][5][6][7][8][9][10][11][12][13][14][15]. CL-20 is of great interest for applications ranging from explosives to propellants; however, it is limited by its mechanical and thermal sensitivity to detonation [1,4,16].…”

Section: Introductionmentioning

confidence: 99%

“…Cocrystallization efforts in the energetics field have largely been placed towards finding adequate co-formers for CL-20. Several CL-20 based co-crystals have been reported with TNT, HMX, NQ, TATB, and most recently RDX coformers [1,4,6,8,12,15]. Although some of these co-crystals can be confirmed as true co-crystals via single crystal x-ray diffraction, most require the evaluation of other characterization techniques, such as morphological observations, various forms of spectroscopy, and powder x-ray diffraction (PXRD) to support claims of true co-crystal formation [16].…”

Section: Introductionmentioning

confidence: 99%

Evaluation of a CL‐20/TATB Energetic Co‐crystal

Chapman

Groven

2019

Propellants Explo Pyrotec

View full text Add to dashboard Cite

Exploration of novel energetic‐energetic co‐crystals has greatly increased in recent years as the need for energetic materials with improved detonation performance and reduced sensitivity continues to grow. In 2015 a CL‐20/TATB co‐crystal was reported and touted sensitivity and detonation properties that would make it a potential replacement for the industry standard HMX. The confirmation, reproducibility, and characterization of energetic materials are still a widely debated topic especially when the material of interest has exceptional properties. In this work, CL‐20/TATB co‐crystals are attempted via solvent‐nonsolvent (S/NS) cocrystallization to assess the formation of a true co‐crystal. The prepared crystals were characterized via scanning electron microscopy (SEM), powder x‐ray diffraction (PXRD), fourier transform infrared spectroscopy (FTIR), raman spectroscopy, thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). This work reproduced S/NS cocrystallization similar to that reported in 2015, provides a solubility and thermodynamic explanation behind CL‐20/TATB cocrystallization, and assesses the future viability of CL‐20/TATB crystals.

show abstract

Synthesis and Characterization of a New Co-Crystal Explosive with High Energy and Good Sensitivity

Cited by 18 publications

References 27 publications

Studies and Theoretical Optimization of CL‐20 : RDX Cocrystal

Studies and Theoretical Optimization of CL‐20 : RDX Cocrystal

Crystal Morphology Prediction and Anisotropic Evolution of 1,1-Diamino-2,2-dinitroethylene (FOX-7) by Temperature Tuning

Evaluation of a CL‐20/TATB Energetic Co‐crystal

Contact Info

Product

Resources

About