First-Principles Investigation of Graphene and Fe2O3 Catalytic Activity for Decomposition of Ammonium Perchlorate DOI
Fan Yang, Jiayun Pei, Haiyan Zhao

et al.

Langmuir, Journal Year: 2022, Volume and Issue: 38(12), P. 3844 - 3851

Published: March 17, 2022

The employment of catalysts is an effective way to improve ammonium perchlorate (AP) decomposition performance during the combustion composite solid propellants. Understanding micromechanism at atomic level, which hard be observed by experiments, can help attain more excellent properties AP. In this study, first-principles simulations based on density functional theory were used explore effect graphene catalyst and iron oxide (Fe2O3) AP decomposition. Considering transfer a H atom decomposition, most stable adsorption sites for aforementioned found: top C surface with energy -0.378 eV Fe Fe2O3 -1.596 eV. On basis results, our transition state calculations indicate that, in comparison control groups, reduce activation barrier ∼19 ∼37%, respectively, promote process surface. Our provide explaining catalytic activity nanocomposites guide experimental applications reactions.

Language: Английский

Thermal decomposition of energetic materials using TG-FTIR and TG-MS: a state-of-the-art review DOI

Abdenacer Benhammada,

Djalal Trache

Applied Spectroscopy Reviews, Journal Year: 2019, Volume and Issue: 55(8), P. 724 - 777

Published: Oct. 23, 2019

Energetic materials have been widely investigated experimentally and theoretically for decades, but there are still many unanswered questions concerning their thermal decomposition mechanisms that play a key role in the overall reaction processes. Hyphenated analytical techniques of analysis, such as thermogravimetry coupled either with infrared (TG-FTIR) or mass spectroscopies (TG-MS) revealed to be efficient methods studying mechanisms. These allow exploration evolved gases during decomposition, which let trace back chemical allows better control behavior various energetic formulations. In this overview, classification, characterization properties material introduced. Next, advances application two hyphenated (TG-FTIR TG-MS) along appropriate examples discussed. offer remarkable improvements by enhancing amount authentic information obtained reproducibility compared conventional techniques. This first review article dedicated solely TG on-line an IR MS spectrometer, means heater transfer line, will certainly help researchers easily understand well development new applications.

Language: Английский

Citations

160
A Promising Energetic Polymer from Posidonia oceanica Brown Algae: Synthesis, Characterization, and Kinetic Modeling DOI
Ahmed Fouzi Tarchoun, Djalal Trache,

Thomas M. Klapötke

et al.

Macromolecular Chemistry and Physics, Journal Year: 2019, Volume and Issue: 220(22)

Published: Oct. 21, 2019

Abstract In this study, microcrystalline cellulose nitrate (MCCN) as energetic polymer is successfully obtained from Posidonia oceanica brown algae (POBA). Fourier transform infrared spectroscopy (FTIR) results show alterations in the intensities of some absorption bands, suggesting a significant difference chemical structure between and emergent MCCN samples. X‐ray diffraction (XRD) measurements indicate that MCCNs are more crystalline than conventional nitrocellulose (NC). According to scanning electron microscopy (SEM), both NC reveal compact rough surface. Differential calorimetry (DSC) displays thermal degradation shifts lower temperatures compared respective NCs. Furthermore, comparison with samples, samples exhibit high density, nitrogen content, low viscosity‐average molecular weight, good stability. On other hand, kinetic modeling based on DSC data carried out by isoconversional integral methods determine Arrhenius parameters decomposition mechanisms. It found present activation energies NCs decrease ≈6%. Finally, work opens new pathway prepare POBA, it expected have applications several areas such propellants, binders, gas generators.

Language: Английский

Citations

100
Palm oil-based bio-PCM for energy efficient building applications: Multipurpose thermal investigation and life cycle assessment DOI
Claudia Fabiani, Anna Laura Pisello, Marco Barbanera

et al.

Journal of Energy Storage, Journal Year: 2020, Volume and Issue: 28, P. 101129 - 101129

Published: Jan. 20, 2020

Language: Английский

Citations

89
Catalytic Effect of Green CuO Nanoparticles on the Thermal Decomposition Kinetics of Ammonium Perchlorate DOI

Abdenacer Benhammada,

Djalal Trache, Salim Chelouche

et al.

Zeitschrift für anorganische und allgemeine Chemie, Journal Year: 2020, Volume and Issue: 647(4), P. 312 - 325

Published: Sept. 25, 2020

In the present work, a green synthesis of copper oxide nanoparticles (CuO NPs) has been performed through precipitation method using three different precursors and sylvestrys leaf extract as capping agent. Morphology structure obtained CuO NPs were confirmed by X‐ray diffraction (XRD), ultraviolet‐visible (UV/Vis), Fourier transform infrared (FT‐IR) Raman spectroscopy, well scanning electron microscopy (SEM). Moreover, their thermal behavior catalytic performance studied thermogravimetry (TG) differential calorimetry (DSC). Four isoconversional kinetic methods have applied to DSC data at heating rates in order determine triplets. The results showed that introduction noticeably lowered decomposition temperature 91.7, 89.9, 83.0 °C, increased exothermic enthalpy 1053, 832, 962 J · g –1 for AP‐CuO‐S, AP‐CuO‐N, AP‐CuO‐Cl, respectively. Furthermore, found reduce activation energy AP decomposition. Besides that, ammonium perchlorate decomposes following reaction models g(α), depending on stage addition NPs. These indicate further synthesized are promising ballistic modifiers composite solid propellants.

Language: Английский

Citations

72
Towards investigating the characteristics and thermal kinetic behavior of emergent nanostructured nitrocellulose prepared using various sulfonitric media DOI
Ahmed Fouzi Tarchoun,

Zakaria Bekkar Djelloul Sayah,

Djalal Trache

et al.

Journal of nanostructure in chemistry, Journal Year: 2022, Volume and Issue: 12(5), P. 963 - 977

Published: Jan. 18, 2022

Language: Английский

Citations

39
Theoretical and experimental study on the effect of nitrogen content on the thermal characteristics of nitrocellulose under low heating rates DOI
Hua Chai,

Qiangling Duan,

Lin Jiang

et al.

Cellulose, Journal Year: 2018, Volume and Issue: 26(2), P. 763 - 776

Published: Oct. 31, 2018

Language: Английский

Citations

61
Thermostable Energetic Coordination Polymers Based on Functionalized GO and Their Catalytic Effects on the Decomposition of AP and RDX DOI

Sabrina Hanafi,

Djalal Trache, Wei He

et al.

The Journal of Physical Chemistry C, Journal Year: 2020, Volume and Issue: 124(9), P. 5182 - 5195

Published: Feb. 11, 2020

In this study, new highly energetic coordination polymers (ECPs) were successfully prepared by a facile chemical modification method based on functionalized graphene oxide (GO) sheets. Simple cross-linked GO layers with triaminoguanidine ligand (T) may further be bonded crystals containing T and transition metal ions (T–M) using cobalt, zinc, silver, or iron as centers, generating 2D-layered hybrid ECPs crystals. Successful functionalization of the was confirmed SEM, exhibiting very small (<400 nm). The thermal decomposition different T–M complexes, without GO–T, assessed simultaneous differential scanning calorimetry thermogravimetric analysis. It has been revealed that reaction GO–T leads to production thermostable ECPs. Furthermore, incorporation 10% improved stability Raman spectroscopy demonstrates both D G bands these have shifted. bonding is also FTIR XRD analyses. catalytic effect designed GO–T–M–T composites ammonium perchlorate (AP) 1,3,5-trinitro-1,3,5-triazinane (RDX) investigated. results those strong AP, it even stabilize RDX before its thermolysis.

Language: Английский

Citations

61
Bio-inspired Cu-alginate to smartly enhance safety performance and the thermal decomposition of ammonium perchlorate DOI
Yuewen Lu, Jin Chen, Ruihao Wang

et al.

Applied Surface Science, Journal Year: 2018, Volume and Issue: 470, P. 269 - 275

Published: Nov. 14, 2018

Language: Английский

Citations

60
Thermal decomposition and combustion characteristics of Al/AP/HTPB propellant DOI

Jifei Yuan,

Jianzhong Liu,

Yunan Zhou

et al.

Journal of Thermal Analysis and Calorimetry, Journal Year: 2020, Volume and Issue: 143(6), P. 3935 - 3944

Published: Feb. 5, 2020

Language: Английский

Citations

60
Synthesis, Characterization, and Thermal Decomposition Kinetics of Nitrogen-Rich Energetic Biopolymers from Aminated Giant Reed Cellulosic Fibers DOI
Ahmed Fouzi Tarchoun, Djalal Trache,

Thomas M. Klapötke

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2020, Volume and Issue: 59(52), P. 22677 - 22689

Published: Dec. 16, 2020

This research focuses on the exploration of giant reed (Arundo donax L., AD) as a viable and underutilized sustainable resource for development energetic nitrogen-rich dense biopolymers based surface amino functionalization nitration extracted native cellulose microcrystals (ANCN ACMCN). Their physicochemical features, molecular structure, crystallinity, thermal behavior were examined compared to those nitrates (NCN CMCN) produced from same bioresource. The obtained results demonstrated that these newly manufactured cellulosic materials present excellent performance reduced mechanical sensitivities with respect traditional NCN emergent CMCN. Furthermore, nonisothermal decomposition kinetics studied using isoconversional integral approaches revealed developed ANCN ACMCN displayed good stability an autocatalytic mechanism slightly lower Arrhenius parameters than common NCN. Therefore, this study provides efficient process develop new promising insensitive macromolecules valuable alternative AD feedstock potential applications in solid propellant formulations.

Language: Английский

Citations

56