Decomposition Mechanism Research Articles

Conformal Li2O2 Growth and Decomposition Within 3D Lithiophilic Nanocages of Metal–Organic Frameworks for High‐Performance Li─O2 Batteries

AbstractLi─O2 batteries (LOBs) have the largest theoretical capacity among current batteries, but the irreversible growth and decomposition of Li2O2 products in positive electrodes cause dramatic degradation of their capacities over charging–discharging cycles. Herein, a metal–organic framework is reported with bipyridinic N linkers attached to graphene (bpyN‐MOF/g) as a positive electrode material to overcome the challenge. The bpyN‐MOF/g promotes conformal Li2O2 growth during discharging, while allowing Li2O2 decomposition at a low overpotential (0.487 V vs Li+/Li at 200 mA gc−1) during charging process, outperforming the Pt/C‐based electrode (0.857 V). Moreover, 3D‐tomography and density functional theory calculations consistently support the Li2O2 growth and decomposition mechanism inside bpyN‐MOF/g. Furthermore, bpyN‐MOF/g//Li LOBs achieve an exceptional discharge capacity (17 275 mAh gc−1 at 100 mA gc−1) and steady cycling for 270 cycles at 1000 mAh gc−1 under 2000 mA gc−1. Additionally, high gravimetric capacity at low mass loadings (0.27–0.44 mg cm−2) and stable cycle operation at a high areal current density (0.5 mA cm−2) open new opportunities for various practical applications.

Update of the present decomposition mechanisms of ammonia: A combined ReaxFF, DFT and chemkin study

Ammonia, a promising carbon-free fuel, offers significant potential for reducing carbon emissions. The decomposition of NH3 is crucial for improving NH3 combustion, yet its mechanisms remain unclear. This study uses ReaxFF simulations, density functional theory (DFT), and Chemkin calculations to explore NH3 decomposition and refine the Konnov mechanism. Our results show that the NH3 to N2 conversion is highly temperature-dependent. At high temperatures, the pathway is NH3→NH2→N2H4→N2H2→N2. As temperature decreases, the N2H pathway becomes more significant, shifting the reaction to NH3→NH4→NH2→N2H→N2 pathway. Additionally, temperature affects H dissociation: at lower temperatures, NH3 to NH2 follows NH3→NH4→NH2, while the NH4 pathway's influence diminishes with rising temperatures. The updated Konnov mechanism improves NH3 decomposition prediction accuracy by about 72.79% and enhances predictions of decomposition rates and intermediate formations (NH, NH2, NH4). This research advances the understanding of NH3 decomposition mechanisms and is vital for optimizing burners for efficient and stable NH3 combustion.

Borehole Stability of Natural Gas Hydrate Reservoirs

Abstract The decomposition of natural gas hydrate (NGH) due to long-term drilling may decrease the strength of reservoirs and increase the borehole failure risk. Meanwhile, the creep properties of NGH reservoirs also may give rise to engineering problems including borehole shrinkage and jamming of drilling tools in the late stage of drilling, which seriously impairs the drilling safety. A thermal-fluid-solid multi-field coupling model considering the decomposition kinetics of NGH and creep properties of reservoirs was established to explore the influence mechanism of NGH decomposition and creep properties of hydrate-bearing sediments on mechanical behaviors of boreholes. In addition, influences of drilling parameters and geomechanical properties of reservoirs on borehole stability in the drilling process of NGH reservoirs were analyzed. Research results show that creep properties of NGH deposits causes homogenization of stress distribution in different directions of NGH reservoirs around boreholes, transition of plastic zones around boreholes to a round shape, and possibly overall borehole collapse. As the horizontal geostress becomes more inhomogeneous, the borehole instability risk increases; the higher the initial pore pressure of formation is, the lower the effective geostress and the lower the borehole instability risk. The research results can provide theoretical support for safe drilling of NGH reservoirs in South China Sea and promote the early commercial exploitation of NGH resources in China.

Ammonium perchlorate catalyzed with novel n-Al modified on ZIF-67 with silane coupling agent: Superior catalytic activity, advanced decomposition kinetics and mechanisms

Ammonium perchlorate (AP) is commonly utilized as an oxidizer in composite solid propellants (CSPs), and the thermal decomposition of AP has a significant impact on the combustion behaviour of CSPs. Aluminum nanoparticles (n-Al) as a prospective metal fuel have received a lot of interest, however properly extracting energy from n-Al remains a great challenge. Native oxide layer limits the energetic performance of n-Al by impeding sufficient combustion and slowing down mass/heat transport. Development of the high energy storage based on metastable intermolecular composite (MIC) is always a desirable way. This group of hybrid materials uses zeolitic imidazole framework (ZIF) as the precursors of the metal oxides as the oxidizers in conventional nanothermite. Coating n-Al on the surface of ZIF-67 with a silane coupling agent to erase or disturb the oxide layer on the n-Al surface improves n-Al combustion. n-Al@ZIF-67 was synthesized and integrated into AP matrix. The catalytic activity of n-Al@ZIF-67 on AP decomposition was assessed via DSC and TGA/DTG. Whereas n-Al@ZIF-67/AP nanocomposite demonstrated decomposition enthalpy of 2350 J/g; pure AP demonstrated 836 J/g, ZIF-67/AP demonstrated 1680 J/g, and n-Al/AP demonstrated 1170 J/g. While Al@ZIF-67/AP nanocomposite demonstrated one decomposition temperature at 327 oC; pure AP decompose at two decomposition stages at 298 oC, and 453 oC. n-Al@ZIF-67/AP showed a violent reaction with high intensity of flame, and micro-explosion occurred due to rapidly disrupted oxide layer that covered Al core. Decomposition kinetics was investigated. n-Al@ZIF-67/AP demonstrated apparent activation energy of 125.3 ± 1.23 kJ/mol compared with 173.16 ± 1.95 kJ/mol for pure AP. Co3O4 NPs as the combustion product from ZIF-67 can expose active surface sites; the ability of adsorption of released NH3 gas, which inhibition AP from decomposition, offering efficient combustion. This work provides a new strategy for advanced CSPs by introducing ZIF-67 to construct bifunctional properties for AP decomposition, and n-Al combustion.

HKNAS: Classification of Hyperspectral Imagery Based on Hyper Kernel Neural Architecture Search.

Recent neural architecture search (NAS)-based approaches have made great progress in the hyperspectral image (HSI) classification tasks. However, the architectures are usually optimized independently of the network weights, increasing searching time, and restricting model performances. To tackle these issues, in this article, different from previous methods that extra define structural parameters, we propose to directly generate structural parameters by utilizing the specifically designed hyper kernels, ingeniously converting the original complex dual optimization problem into easily implemented one-tier optimizations, and greatly shrinking searching costs. Then, we develop a hierarchical multimodule search space whose candidate operations only contain convolutions, and these operations can be integrated into unified kernels. Using the above searching strategy and searching space, we obtain three kinds of networks to separately conduct pixel-level or image-level classifications with 1-D or 3-D convolutions. In addition, by combining the proposed hyper kernel searching scheme with the 3-D convolution decomposition mechanism, we obtain diverse architectures to simulate 3-D convolutions, greatly improving network flexibilities. A series of quantitative and qualitative experiments on six public datasets demonstrate that the proposed methods achieve state-of-the-art results compared with other advanced NAS-based HSI classification approaches.

Study on thermal decomposition and enrichment quality of coal from Mogoin gol deposit in Mongolia

The main purpose of this study is to investigate the thermal stability and the mechanism of thermal decomposition of Mogoin gol coal, the possibility of liquefaction by pyrolysis and thermolysis, and the possibility of enriching by heavy liquids to reduce the mineral content of coal and improve its quality. Under this purpose, The Mogoin gol coal was characterized by proximate and ultimate analysis, thermogravimetry, and investigated its thermal decomposition (thermolysis and pyrolysis). Thermogravimetric analysis was performed using Japanese HITACHI TG/DTA7300 instrument and pyrolysis investigation was carried out at different heating temperatures 200–700 °C with constant heating rate 20 °C/min for 80 min. On the basis of proximate and elemental analysis results, it has been indicated that the Mogoin gol coal is high-rank coking coal. The pyrolysis of Mogoin gol coal was studied by SNOL furnace at different heating temperatures and obtained from pyrolysis products such as hard residue, tar, pyrolytic water, and gas. From pyrolysis, the yield of pyrolysis tar (6.28%) was highest at 700 °C. The experiment of thermal decomposition (thermolysis) was carried out in air closed autoclave at 350–450 °C and using hydrogen donor solvent (tetraline) with different mass ratios of coal and solvent (1:1.75; 1:1.5). In the thermolysis experiment, the yield of liquid product is highest with the coal: solvent ratio of 1:1.5 at 450 °C.

Mechanochemical removal and recovery of fluorine from hazardous fluorine-containing solid waste: Experiments and mechanisms

Large amounts of hazardous fluorine-containing solid waste (HFSW) are produced globally each year. Recycling HFSW not only conserves valuable F resources but also serves as a crucial step towards environmental sustainability. This work proposed an efficient and green approach for F removal and recovery from the HFSW using a mechanochemical method. The results showed that MgF2 component in the HFSW can be almost completely converted to NaF and Mg(OH)2 by the mechanochemical force with NaOH as co-grinding agent. A possible NaOH mechanochemical decomposition and conversion mechanism of MgF2 is also proposed based on thermodynamics, XRD, TEM and DFT calculations. By optimizing the mechanochemical conditions, such as NaOH concentration of 35 mol/L, ball-to-material ratio of 10:1 g/g, liquid-solid-ratio of 1.8 mL/g, mechanical activation speed of 600 rpm, and mechanical activation time of 150 min, 99.51 % of F in the HFSW can be leached. Finally, 98.69 % purity of NaF product was recovered from the as-obtained F-containing leachate through N235 extraction and evaporative crystallization. The results of this work are expected to provide a promising solution for F removal and recovery from HFSW.

Structure, properties, and decomposition in biological systems of a new nitrosyl iron complex with 2-methoxythiophenolyls, promising for the treatment of cardiovascular diseases

A new promising binuclear tetranitrosyl iron complex with 2-methoxythiophenolyl of the composition [Fe2(C7H7OS)2(NO)4] (complex 1), which acts on the therapeutic targets of cardiovascular diseases, guanylate and adenylate cyclase, has been synthesized. X-ray diffraction data show the presence of two isoforms of complex 1; according to quantum chemical calculations, the structure of only the trans isomer is stable in solutions.The processes of transformation of complex 1 in DMSO, in aqueous solutions, as well as in the presence of bovine serum albumin, reduced glutathione, and mucin were studied. DMSO promotes the decomposition of the original complex 1 into mononuclear products. In biological systems, the mechanisms of decomposition of the complex 1 differ from aqueous solutions. In albumin solution, a gradual formation of a high-molecular-weight dinitrosyl complex is observed, obtained by coordinating the [Fe(NO)2]+ fragment with the amino acid groups of the protein. In the presence of mucin, an EPR signal from stable mononitrosyl products is observed. The introduction of glutathione into the system of the complex 1 leads to the replacement of one initial thioligand with glutathione. In the model systems under study, a more efficient and prolonged generation of NO groups is observed compared to a buffer solution.The obtained data on the influence of the environment on the properties of the complex 1 in combination with a study of their effect on enzymes allow us to recommend it for further study as a potential drug with vasodilator, antianginal, and hypotensive properties.

Temperature and pressure effects on the decomposition mechanisms of 2,6-diamino-3,5-dinitropyrazine-1-oxide crystal: ab initio molecular dynamics study.

The decomposition process of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) crystal at high temperatures (2500 and 3390K) and detonation pressure of 33.4 GPa coupled with temperatures were studied by ab initio molecular dynamics simulations. The results show that the initial decomposition mechanism of LLM-105 is the same under different conditions. The product analysis indicates that high temperature is conducive to the formation of N2 and CO2, but inhibited the formation of H2O. It is found that the formation mechanism of H2O is the same under different conditions, which involves the reaction between OH radical and H radical. Although the detailed processes of the formation of N2 are different, they all involve the reaction between nitrogen-containing fragments, and its core is the formation of intermediates with R1-NN-R2 structure. The core of the formation of CO2 under different conditions is to form the intermediate R1-CO-R2 with carbonyl structure, and then generate the fragment with -OCO- structure, and finally generate CO2. This research may provide new insights into the initiation and subsequent decomposition mechanisms of energetic materials under extreme conditions. The LLM-105 supercell was constructed using the Materials Studio 7.0 package. AIMD simulations were performed in the CASTEP package. AIMD simulations adopted NVT and NPT ensemble, and the temperature was controlled by Nosé thermostat, while the pressure was controlled by Andersen barostat. Besides, DFT calculations were carried out at the B3LYP/6-311 + G(d,p) level using the Gaussian 09 package.

Lignin-Based Visible Light-Triggered Nitric Oxide Nanogenerator for Antibacterial Applications.

Nitric oxide (NO) has received growing attention as an effective antibacterial agent with broad-spectrum activity and a low risk of resistance. However, it remains challenging to develop effective, controllable, and biocompatible NO-releasing materials. Here, we report a novel NO nanogenerator (AL-BNN6-PEG) self-assembled by lignin, a UV-absorbing and hydrophobic NO donor (N,N'-disec-butyl-N,N'-dinitroso-1,4-phenylenediamine, BNN6), and PEG-DSPE2000. It was discovered that upon visible light irradiation (450-460 nm), BNN6 can be decomposed by lignin within micellar nanoparticles via a photoinduced electron transfer mechanism in the aqueous medium. Lignin not only served as a sustainable carrier, enhancing the water dispersity of BNN6, but also acted as a biocompatible photosensitizer, triggering BNN6 decomposition with the concomitant release of NO. As a result, the micellar nanoparticles displayed superior antibacterial effects against Gram-negative and Gram-positive bacteria upon visible light illumination. Moreover, MTT assay revealed the negligible cytotoxic effect of the micellar nanoparticles to the mouse fibroblast cells (L929). This research provides more insight into the BNN6 decomposition mechanism and demonstrates a straightforward, effective, and biocompatible strategy for controlled NO-mediated antibacterial applications.

Synthesis and Characterization of 3,4-Bis[3(2-azidoethoxy)furazan-4-yl]furoxan (DAeTF): A Novel Low-Melting Insensitive Energetic Material.

The synthesis and characterization of low-melting-point insensitive energetic materials are crucial due to their increasing applications in melt-cast explosives. In this work, a furazan-derived energetic compound, 3,4-bis[3(2-azidoethoxy)furazan-4-yl]furoxan (DAeTF), exhibiting insensitive and high-energy characteristics, is rationally designed and synthesized. The structure of DAeTF is characterized by nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, elemental analysis, mass spectrometry, and single-crystal X-ray diffraction. The thermal properties of DAeTF are investigated using differential scanning calorimetry, in situ FTIR spectroscopy and thermogravimetric-differential scanning calorimetry-Fourier transform infrared-mass spectrometry and thermal decomposition mechanism was elucidated in combination with bond energy calculations. The detonation performance of DAeTF is predicted by the EXPLO5 program. The results indicate that DAeTF has thermal stability (Td = 251.7 °C), high energy level (D = 7270 m/s) and significant insensitivity (IS = 60 J). Additionally, its relatively low melting point (Tm = 60.5 °C) facilitates processing and loading. These characteristics indicate that DAeTF is a promising candidate as an insensitive melt-cast explosive in future applications.

Phase-Field Simulation of Spinodal Decomposition in U-50Zr Metallic Nuclear Fuel.

During the γ phase-δ phase transition, U-50Zr fuel experiences spinodal decomposition, which has a significant effect on fuel properties. However, little is known about the spinodal decomposition of U-50Zr. The spinodal decomposition behavior in U-50Zr is studied in this research using the phase-field approach. The mechanism of spinodal decomposition from a thermodynamic perspective is studied, and the effects of temperature and grain boundary (GB) on spinodal decomposition are analyzed. It is found that the concentration of U atoms in the U-rich phase formed during spinodal decomposition is as high as 90%. The U-rich phase first appears at the GB position, and precipitation phases appear inside the grain later. Ostwald ripening occurs when larger precipitation phases on the GB absorb isolated smaller precipitation phases inside the grain. The coarsening rate of precipitation phases and the time it takes for spinodal decomposition to achieve equilibrium are both influenced by temperature.

Thermal stability of MDM and oxidative decomposition mechanism under the condition of air infiltration: A combined experimental, ReaxFF-MD and DFT study

When siloxanes are used as the working fluids of organic Rankine cycle systems, there is a possibility of air infiltration due to the large vacuum present in the condenser. To address this issue, experimental and simulation studies were conducted on the thermal stability and pyrolysis product characteristics of octamethyltrisiloxane (MDM) in the presence of air. The results indicated that air significantly promotes the decomposition of MDM at the temperatures above 250 °C. Air was helpful in increasing the formation of CH2O, CO, and CO2, and also enhanced polymerization of decomposition product of siloxane, leading to higher yields of MD2M, MD3M, MD4M, D3, D4, and D5. By combining reactive force field molecular dynamics (ReaxFF-MD) simulations with density functional theory (DFT) calculations, the microscopic mechanisms of MDM's oxidative decomposition by O2 in air and H2O under humid conditions were elucidated. O2 can easily combine with unsaturated Si atoms to form Si-O bonds, combine with CH3 radicals to form C-O bonds, and undergoes hydrogen extraction reactions to initiate decomposition. H2O mainly undergoes initial decomposition through CH3 radical hydrogenation and binding with unsaturated Si atoms. The generated O2H, O, and OH radicals tend to bind with Si atoms in molecules and radicals, facilitating polymerization reactions.

Comparison of the pyrolysis behavior of PC, ABS and PC/ABS

Three types of plastics—polycarbonate (PC), acrylonitrile-butadiene-styrene (ABS), and PC/ABS blend—were studied in this work. Kinetic analyses were performed using the Flynn-Wall-Ozawa (FWO) and Kissinger–Akahira–Sunose (KAS) methods. The evolved volatiles during the pyrolysis of each material were analyzed, and the pyrolysis behavior was proposed using in-situ tools such as thermogravimetric analyzer-Fourier transform infrared spectroscopic (TG-FTIR) and gas chromatographic separation and mass spectrometry detection (Py-GC/MS). The three samples were also pyrolysed in a fixed bed reactor to elucidate the impact of secondary reaction. For PC, the activation energy increases as the reaction progresses. PC primarily generated CO2 and oxygenated compounds. For ABS, the activation energy experienced a slight decrease once the depolymerization reaction initiates, while a reversed trend can be observed at higher conversion rates. ABS pyrolysis mainly produced nitrogen-containing compounds and mono-aromatics. In the case of PC/ABS blend, a distinctive two-stage decomposition mechanism was observed. The interaction between PC and ABS in the blend promoted the formation of N/O-containing compounds. Additionally, this interaction enhanced the production of lighter phenols at the expense of bisphenol A, while ABS was not affected markedly. Stronger re-condensation and cracking reactions in the fixed bed system, facilitated the formation of poly-aromatics and lighter phenols (p-cresol and 4-ethylphenol) at the expense of bisphenol A during the pyrolysis of PC. In contrast, styrene from ABS decomposition was weakly affected by the secondary reaction. The intensified secondary reactions occurring the sample bed of the fixed bed experiments can also enhance the interaction between volatiles from ABS and PC, forming more heterocyclic N-compounds.

Single overall ‘H-shaped’ multifunctional compound achieves fire safety, durability, enhanced strength, and smoke suppression of cotton fabrics

Challenges currently faced by phosphorus-based flame retardants for cotton fabrics include reduced fabric strength after treatment, high smoke release during combustion, formaldehyde release from commercial phosphorus-based flame retardants and poor flame retardant durability after treatment. In the present work, a P/N/B synergistic flame retardant TBST is synthesized using phosphoric acid, cyanuric acid, boric acid, pentaerythritol, etc. The phosphorus‑nitrogen‑boron atomic ratio is 2:3:1, and it is successfully prepared on cotton fabric to prepare TBST/Cotton. When the weight gain rate is 29.8 %, the LOI value is 41.6 ± 0.3 %, indicating that TBST/Cotton has excellent flame retardant performance. At the same time, in the vertical flame test, the length of residual carbon is 5.6 cm. In addition, the THR and HRR are reduced by 58.4 % and 91.9 % respectively compared to Cotton, indicating that TBST/Cotton has excellent combustion performance. In addition, compared to the residual carbon content of Cotton at 710 °C, the residual carbon content of TBST/Cotton in nitrogen increased by 27.79 %. For a 30 % increase in weight, the increase in longitudinal mechanical strength is 23.1 %. Inferred the decomposition mechanism and flame retardant mechanism of TBST/Cotton. TBST/Cotton has the advantages of good flame retardant durability and enhanced mechanical properties, and the reinforcement mechanism of TBST has been speculated.

Heat- and shock-induced pyrolysis of crystalline and amorphous TNT revealed by ReaxFF-lg simulations

The decomposition mechanisms of crystalline and amorphous TNT were studied through ReaxFF-lg simulations under the heat-loaded and shock-loaded. Their differences were elucidated from the initial decay reactions, activation energy, products and the clusters. Results showed that the heat-induced pyrolysis of two systems differed slight, but the shock-induced pyrolysis differed large. The decomposition reactions of amorphous and crystalline models are similar, but the nitro oxidation of TNT is only found in amorphous. Dimerization and intermolecular H-transfer were found at the constant temperature and MSST simulations, and intermolecular O-transfer were only found at the constant temperature simulations. For MSST simulation, products in crystalline formed later than in amorphous, and the number of clusters in crystalline is much larger than in amorphous, which indicating crystalline TNT would be induced early through shock wave. These findings could help to increase the understanding for the thermolysis behavior and safety of crystalline and amorphous energetic materials.

Odorless Probiotic Chicken of Eco-Smart Poultry Coop

The smell of chicken waste has become a serious problem in Malaysia. Flies and an unpleasant odor from poultry coop plague the locals. To decrease the disagreeable odor of chicken manure, the approach used in this study is charcoal as an adsorption method to adsorb an ammonia gas. The sawdust is used as a drying agent for the chicken waste to ensure it produces no smell, and it also contains EM (Effective Microorganisms) as a decomposition mechanism for the bacteria in the chicken waste. The research result obtained positive results based on the number of flies, the odor examined through human surveys, the difference between probiotic and normal chicken waste, and the difference in fat content identified in probiotic chicken. It has been demonstrated by studies that while using wood dust and charcoal can aid in eliminating the odor of chicken droppings, processing chicken droppings with an EM solution is crucial before the droppings start to smell bad. Implementing an automatic system to manage chicken feed and drink is a recommended approach to ensure the project's success. This will ensure that the chickens obtain the proper amount of food and drink at the time specified. Given that chickens are highly susceptible to extreme heat or cold, the following recommendation is to monitor the cage's temperature and humidity levels. The ammonia odor associated with poultry farming affects not only the environment but also people. People who live close to the area where chickens are raised will feel uncomfortable because of this issue. The probiotic approach is the problem-solving strategy, according to the research. The chickens' digestive tract will be aided using EM solution as a drink and meal, resulting in less offensive chicken faeces.

Seaweed burial mitigated the release of organic carbon and nutrients by regulating microbial activity

Seaweed debris is susceptible to being buried in sediments due to natural environmental changes and human activities. So far, the effect of buried seaweeds on the environment and its decomposition mechanism remains unclear. This study simulated the decomposition of seaweed Gracilariopsis lemaneiformis for 180 days with different burial depths (0 cm and 10 cm) and burial weights (10 g and 20 g). Our findings revealed that compared with Gracilariopsis decomposition on the sediment surface, the seaweed buried in sediment slowed down the release of N, P, and dissolved organic carbon (DOC) by enhancing the activity of diverse anaerobic microbes (i.e. Draconibacterium, Desulfuromusa, Sediminispirochaeta), which were associated with organic matter decomposition. The enhanced burial quantity of Gracilariopsis resulted in a 3.28 % increase in sediment OC and enriched the humification degree of DOC in seawater. These results highlight the role of seaweed burial in enhancing OC sequestration in marine environments.

Mechanical Properties and Thermal Decomposition Mechanism of Glycidyl Azide Polyol Energetic Thermoplastic Elastomer Binder with RDX Composite.

To improve the reinforcement effect between a binder and high solid filler in a propellant formula, grafting the bonding group into the binder to form a neutral polymeric is a practically novel approach to improving the interface properties of the propellant. In this work, a glycidyl azide polyol energetic thermoplastic elastomer binder with a -CN bonding group (GAP-ETPE) was synthesized, and the mechanical and thermal decomposition mechanism of GAP-ETPE with Hexogeon (RDX) model propellants were studied. The stress-strain results indicated that the tensile strength and strain of GAP-ETPE/RDX model propellants were 6.43 MPa and 32.1%, respectively. DMA data showed that the storage modulus (E') of the GAP-ETPE/RDX model propellants could increase the glass transition temperature (Tg) values, those were shifted to higher temperature with the increase in filler RDX percentages. TG/DTG showed the four decomposition stages of the decomposition process of the GAP-ETPE/RDX model propellants, and the thermal decomposition equation was constructed. These efforts provide a novel method to improve GAP-ETPE/RDX propellants mechanical property, and the thermal decomposition behavior of GAP-ETPE/RDX propellants also provided technical support for the study of propellant combustion characteristics.

Mechanism for airborne ozone decomposition on X-MIL-53(Fe) (X = H, NH2, NO2)

Ground−level ozone (O3) pollution poses a significant threat to both ecosystem sustainability and human health. The catalytic decomposition of O3 presents as a promising technology to address the issues of O3 pollution. This study undertook the synthesis of various functionalized metal−organic framework (MOF) catalysts (i.e., X-MIL-53(Fe) (X = H, NH2, NO3)) to delve into the influence of ligand functional groups on skeletal structure and catalytic efficacy, particularly focusing on unraveling the mechanism of O3 catalytic decomposition under humid conditions. NH2-MIL-53(Fe) catalyst achieved complete O3 decomposition under ambient temperature and high humidity conditions (RH=75 %), exhibiting a reaction rates (mol·m−2·s−1) 129 and 10.5 times greater than that of MIL-53(Fe) and NO2-MIL-53(Fe). The NH2 group promotes electron flow within the backbone towards the hydroxyl group (OH) linked to Fe atom. In humid O3, H2O molecules augment the interaction between O3 and NH2-MIL-53(Fe), and OH is converted to·O2− after deprotonation, promoting O3 decomposition. Additionally, leveraging three−dimensional (3D) printing technology, a monolithic catalyst for O3 decomposition was prepared for application. This study not only advances understanding of the mechanisms underlying O3 decomposition but also offers practical solutions for addressing O3 pollution at humid conditions.