Increase In Activation Energy Research Articles

Eco-friendly corrosion inhibition of steel using phenolic compounds from Cynara syriaca

This study evaluates the corrosion inhibition performance of the n-butanol (n-BuOH) fraction derived from Cynara syriaca on mild steel in acidic environments. The n-BuOH fraction achieved up to 94 % inhibition at 500 ppm, as assessed through gravimetric analysis, potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS). Key phenolic compounds, including kaempferol, naringenin, myricetin, chlorogenic acid, and quercetin, were identified by UPLC-MS/MS. These compounds form stable flavonoid-metal complexes, as confirmed by UV–Vis spectroscopy. FT-IR and SEM-EDS analyses revealed the formation of protective coatings and interactions with the steel surface. Polarization curves indicate that the n-BuOH fraction acts as a mixed-type inhibitor, predominantly affecting the anodic reaction. The inhibition efficiency decreased from 93.89 % to 73.43 % with increasing temperatures. Thermodynamic analysis showed an increase in activation energy (Ea = 58.20 kJ/ mol) and a positive ΔH value of 56.17 kJ/mol, which can be attributed to the increased thickness of the double layer, enhancing the activation energy of the corrosion process. A Gibbs free energy (ΔG0ads) value of −25.48 kJ/mol confirms that the adsorption process is spontaneous and involves both physisorption and chemisorption. pKa analysis identified specific adsorption sites. This research underscores the potential of the n-BuOH fraction as a novel, eco-friendly corrosion inhibitor, offering valuable insights for sustainable corrosion control strategies.

Theoretical research of the NO and N2O reduction by char in oxy-fuel CFBC: Influence of H2O

Oxy-fuel CFBC has lower NOx emissions compared to air combustion, with the high H2O content affecting NO and N2O reduction. This study, using density functional theory and transition state theory, investigates the impact of H2O on the char model at the electronic level and its subsequent influence on NO and N2O reduction. Results reveal that H2O adsorbs onto the active site on char, forming hydroxyl groups and free H atoms. The unstable O atom in –OH group leads to benzene ring rearrangement in the char model, creating additional active sites. NO reduction follows two paths: producing CO(R1) or CO2(R2). For N2O reduction(R3), N2O reduction precedes benzene ring cracking, with CO2 production providing more active sites. In R1, CO formation limits reactive sites and increases activation energy, while R2 and R3 favor CO2 formation. Reaction pathways leading to CO2 formation show lower activation energies and higher pre-exponential factors for N2 release.

Light-Assisted Catalysis and the Dynamic Nature of Surface Species in the Reverse Water Gas Shift Reaction over Cu/γ-Al2O3.

The reverse water gas shift (RWGS) reaction converts CO2 and H2 into CO and water. We investigated Cu/γ-Al2O3 catalysts in both thermally driven and light-assisted RWGS reactions using visible light. When driven by combined visible light and thermal energy, the CO2 conversion rates were lower than in the dark. Light-assisted reactions showed an increase in the apparent activation energy from 68 to 87 kJ/mol, indicating that light disrupts the energetically favorable pathway active in the dark. A linear correlation between irradiance and decreasing reaction rate suggests a photon-driven phenomenon. In situ diffuse reflectance infrared Fourier transform spectroscopy and TD-DFT analyses revealed that catalyst illumination causes significant, partly irreversible surface dehydroxylation, highlighting the importance of OH groups in the most favorable RWGS pathway. This study offers a novel approach to manipulate surface species and control activity in the RWGS reaction.

A scientific report on heat transfer analysis due to generated and absorbed heat over an oscillatory stretching sheet: a finite difference-based study

A non-Newtonian liquid motion across a stretchable surface is relevant to various industrial applications, including extruding plastic sheets and stretching plastic films. In connection with this, the impact of endothermic and exothermic chemical reactions on the flow of rate-type liquid via an oscillatory stretching sheet in the presence of permeable media with the Maxwell liquid model is elucidated in the present study. Scientists and engineers may enhance the efficiency of chemical reactions or heat transmission by optimising system flow and investigating the effect of reactions on flow dynamics. The present study’s governing partial differential equations (PDEs) are transformed into their non-dimensional form using similarity variables. The resulting equations are numerically solved using the finite difference method (FDM). Outcomes disclose that the temperature profile declines as the activation energy and unsteadiness parameters increase. The influence of the Maxwell and unsteadiness parameters on the fluid’s velocity with respect to time is represented. The rise in the values of chemical reaction parameter upsurges the thermal profile. As the activation energy and unsteadiness parameters upsurge, the thermal profile declines. As the chemical reaction parameter and the ratio of oscillation frequency to stretching rate values rise, the concentration profile falls.

Soret and Dufour effects for unsteady flow with shapes and (Cu+Fe3O4)/(ethelene–glycol+methanol) between two stretchable rotating disks

The ongoing study looks at the multiple shapes of nanoparticles in an unsteady flow between two stretchable rotating disks. Unsteady flow of hybrid nanofluid takes place between the stretchable disks, using (ethelene–glycol+methanol) as the base fluid and (Cu+Fe3O4) as the hybrid nanofluid. This study uses three distinct forms of (Cu+Fe3O4) hybrid nanofluids: brick, blade, and cylinder. Using chosen similarity transmutations, corresponding mathematical expressions (partial differential equations) are transformed into nonlinear ordinary differential equations. The whole set of equations takes the shape of an ordinary differential equation depending on the boundary conditions, and the solution is numerically computed using the bvp4c MATLAB solver. The influence of multiple factors across the velocity field is illustrated graphically. To acquire tiny quantities of the unsteady factors S, the momentum boundary layer for all types of nanofluids becomes less and more conspicuous. We compared our findings to previous findings and discovered an intriguing pattern. The main discovery of this work is Dufour and Soret effect on the heat and concentration profile. The rise in the rotation and the unsteady parameter ends up with an increase in the tangential velocity. The temperature rises as the Brinkman number and heat source factors rise, and falls as the unsteady parameter S rises. The concentration falls as the Schmidt number and unsteady factor increase, but it increases as the activation energy increases.

A comprehensive investigation of the impact of carbon-supported metal complexes of triaminoguanidine on the characteristics of a double-base propellant

ABSTRACT In this study, triaminoguanidine complexes grafted onto activated carbon (AC-TAG-Fe and AC-TAG-Co) were designed and investigated for their catalytic effect on the thermolysis of a double base propellant consisting of nitrocellulose (NC) and diethylene glycol dinitrate (DEGDN). The successful synthesis of transition metal complexes with triaminoguanidine and their subsequent grafting onto activated carbon were confirmed using various analytical techniques, including Fourier Transform Infrared Spectroscopy, Raman Spectroscopy, X-ray Diffraction, and Scanning Electron Microscopy. Thermal characterization using Thermogravimetric Analysis and Differential Scanning Calorimetry provided valuable insights into the thermal properties and reactivity of the elaborated NC/DEGDN-based composites. Importantly, the addition of various additives resulted in notable improvements in both the enthalpy of reaction and density. Isoconversional kinetic studies revealed that the incorporation of TAG-Fe and TAG-Co complexes reduced the apparent activation energy of the NC/DEGDN composite from 137.4 kJ/mol to 135.4 kJ/mol and 114.8 kJ/mol, respectively, suggesting their catalytic effect. Furthermore, it is found that the addition of activated carbon (AC) resulted in an increase in activation energy to 154 kJ/mol, whereas grafting TAG-Fe and TAG-Co complexes onto AC as a catalytic support subsequently reduced activation energy to 119 kJ/mol and 112 kJ/mol, respectively. Overall, this research serves as a valuable reference for future studies focusing on investigating the catalytic combustion characteristics of double-base solid propellants.

Variable viscosity and activation energy aspects in convection heat transfer over gravity driven solar collector plate for thermal energy storage

Variable viscosity, activation energy and microgravity effects on Darcy nanofluid for the thermal performance improvement in thermal energy storage systems through stretching flat plate solar collector is the focus of this research. Thermal energy storage (TES) can be improved though solar collectors, phase change materials and photovoltaic cells using nanofluid in the base liquid. To increase the reaction rate in nanoparticles, the activation energy and solar radiations are used for the efficiency of TES. The viscosity of nanofluid improves the heat and mass transmission. Due to solar radiations, nanofluid plays prominent role in TES applications such as heat exchangers, electronic cooling devices and solar power generation through solar plate collector. Solar energy based mathematical model is developed to execute the frequency of oscillating heat transfer in TES numerically. Primitive and Stokes coefficients are used for feasible programming. Finite difference analysis is performed to display oscillatory thermal energy using Gaussian-elimination matrix scheme. Steady velocity, surface temperature and concentrations are plotted and utilized in oscillatory formula to perform oscillatory skin friction, oscillatory heat transfer and oscillatory mass transfer along π⁄4 angle. Fluid velocity enhances but temperature and concentration variation decreases as viscosity decreases. High amplitude in velocity, temperature and concentration is sketched as activation energy and microgravity increases. Steady heat and mass transmission enhances as thermophoretic and Brownian motion enhances. Amplitude and frequency of oscillations in heat transport, skin friction and mass transport enhances as Prandtl and Schmidt component enhances. In validation of results, the 0.00064% percentage error for heat transport and 0.00102% percentage error for mass transmission are deduced.

In-depth investigation of corrosion inhibition mechanism: Computational, electrochemical, and theoretical studies of vanillin meldrum’s acid on mild steel surface in 1 M HCl

Vanillin Meldrum’s acid (VanMA) was successfully synthesized and thoroughly examined using techniques like elemental analysis, FTIR, NMR, UV–Vis spectroscopies, and single crystal X-ray diffraction. It crystallizes in a triclinic crystal system under the P-1 space group. A quantitative analysis of the intermolecular interactions in the crystal structures was performed using Hirshfeld surface analysis, which reveals that H···H contacts are the most significant contributing 43.2 % and the O···H/H···O contacts contributing 36.2 % of the total Hirshfeld surfaces. VanMA proved effective as a corrosion inhibitor in 1 M HCl, demonstrating a 62.19 % inhibition efficiency at an optimal concentration of 0.1 mM. It creates a protective layer on mild steel surfaces, adhering to the Freundlich adsorption isotherm (R2 = 0.9983) and displaying a physical adsorption mechanism (−12.72 kJ/mol). The corrosion inhibition efficacy of VanMA (0.1 mM) decreases in 1 M HCl as the temperature increases from 303 to 383 K. A shift towards physisorption is indicated by the increase in activation energy (Ea) from 12.37 to 16.42 kJ/mol. VanMA’s adsorption efficacy reduces at higher temperatures, increasing surface exposure and corrosion rates, but increasing activation enthalpy (ΔH° = 31.32 kJ/mol) and ΔS° = −113.63 J mol−1 K−1). The diameter of the semicircle rose as the concentration of VanMA increased, indicating that VanMA adsorption is responsible for the mild steel surface’s greater resistance to corrosion with increasing Rct values from 224 to 641 Ω cm2 and decreasing capacitance double layer (Cdl) values from 4.480 × 10−5 to 1.560 × 10−5 μFcm2, confirming VanMA’s efficacy as a corrosion inhibitor at 65.05 %. The SEM-EDX and AFM images show the smoother mild steel surface at 0.1 mM VanMA. VanMA was verified as a mixed-type inhibitor by showing shifts of less than 85 mV with respect to the blank PDP. The inhibition efficiency (IE%) increased up to 77.89 % while the icorr values decreased to 1.1850 × 10−5 A/cm2 as the VanMA concentration rose. In XPS, the presence of VanMA was identified by the presence of FeO (713.60 eV) and CO (287.93 eV), which signifies the adsorption of VanMA onto mild steel by the O atom and the negatively charged O ion via a mixed adsorption. DFT and Mulliken population analysis deduced that the VanMA interacted with the mild steel through mixed adsorption. VanMA adsorbs almost parallel to the Fe (1 1 0) surface, forming a barrier that protects from corrosion, according to the MD modeling. While the significant negative adsorption energy (−309.490 kcal/mol) verifies the stability and spontaneity of the adsorption process.

Nearly Barrierless Polarization Switching Mechanisms in ZrO2 Having Perpendicular In-Plane Domain Walls.

The polarization switching mechanism in ferroelectric ZrO2 involves the nucleation and subsequent migration of nonpolar domain boundaries; however, the fundamental mechanism driving this process remains inadequately understood. The present study introduces a mechanism for nearly barrierless polarization switching in 180° domain walls, facilitated by a the half-unit-cell nonpolar phase between oppositely polarized domains. Based on density functional theory (DFT) calculations, two types of 180° domain walls are explored, featuring head-to-head and tail-to-tail polarization boundaries, with nonpolar orthorhombic Pbcm and tetragonal P42/nmc phases as the respective domain walls. The calculations reveal exceptionally low energy barriers of 17.5 and 10.1 meV for migrating these Pbcm and P42/nmc boundaries by half a unit cell through the domains. An evaluation of the impact of defects on domain wall motion is achieved by introducing 2% oxygen vacancies or 3% Si doping, which induces a significant increase in the barrier motion activation energy, suggesting that defects serve as barriers to polarization switching.

Steady and periodical heat-mass transfer behavior of mixed convection nanofluid with reduced gravity, radiation and activation energy effects

Significance of this study is to explore Arrhenius activation energy, microgravity, chemical reaction and porous medium effects on Darcy nanofluid over a stretching sheet with nonlinear thermal radiations. Purpose of this study is to enhance the lubrication efficiency, excessive heat reduction, surface roughness and tool wear in drilling, milling, grinding and cutting tools of machining procedures. Use of Brownian and thermophoretic nanoparticles in base liquid is very effective to reduce friction in tool-chip and tool-work interfaces, tool life ability and cooling ability through nanofluid minimum quantity lubrication in machining operations. A refined mathematical model is solved using dimensionless variables; oscillatory stokes conditions and primitive variables. The implicit form of finite difference method is applied for numerical results using Gaussian elimination approach. The numerical and physical outputs are secured using Gaussian elimination methodology in FORTRAN tool and TecPlot-360. Graphs are displayed by using numerical data in Tecplot-360 program. Impact of activation energy (AE), solar radiation (Rd), microgravity (RG), porosity (Ω), thermophoresis (NT), chemical reaction (Kr), Prandtl (Pr) and Schmidt factor (Sc) on oscillating frequency of heat and mass transport is depicted. Amplitude in fluid velocity, surface temperature and volume of concentration is enhanced as radiation, microgravity and activation energy increases. It is noted that the increasing amplitude in fluid velocity, temperature and fluid concentration is found with activation energy, radiation and buoyancy force effects. Steady behavior of skin friction and mass transport decreases as Darcy porous medium and reaction rate decreases. Frequency of oscillating skin friction and oscillating heat transfer increases as Schmidt and Prandtl coefficient increases. Fluctuations and amplitude in the frequency of heat and mass transport enhances as thermophoretic nanoparticle enhances.

Dependence of Thermally Activated Relaxation of Crystalline Stems on the Molecular Topology at Crystalline/Amorphous Interfaces in Polyethylene.

We investigate the relaxation dynamics of crystalline stems in relation to the molecular topology of the crystalline/amorphous interface, employing coarse-grained molecular dynamics. To efficiently generate model semicrystalline systems of linear polyethylene with a realistic interphase morphology, we simplified the Monte Carlo method by introducing molecular dynamics for faster relaxation. The structural properties of the generated systems are validated against experimental measurements, theoretical predictions, and existing simulation data. The models suggest that the probability distribution of loop-entry sites on the lamellar surface can be described by a power law in terms of the distance between the entry sites. By considering realistic interphase morphology, we are able to improve the prediction of the overall activation energy for the relaxation of crystalline stems, aligning it closely with experimental measurements. The largest model predicts that crystalline stems connected via large loops, i.e., those that exceed the entanglement length, and long tails are associated with increased activation energy; whereas stems connected to shorter tails show the lowest activation energy. These predictions can guide the future development of tougher semicrystalline polymers by providing insights into how amorphous chain morphology contributes to the activation energy and the relaxation dynamics of crystalline chains.

On the Electrochemical Properties of Poly(Vinylidene Fluoride)/Polythiophene Blends Doped with Lithium‐Based Salt

AbstractIn this study, polymer blends of polythiophene (PTH) and poly(vinylidene fluoride) (PVDF) are investigated by focusing on their structural and electrochemical characteristics. These blends displayed immiscibility confirmed through field emission scanning electron microscopy (FE‐SEM) and interaction assessments. PTH's role as a plasticizer is evident, diminishing crystallinity. A rise in PTH level led to a lower glass transition temperature and a higher melting point, suggesting reduced intermolecular forces and increased polymer chain flexibility. Conversely, a dispersed phase presence elevated the melting point, restricting chain movement and crystallization. The thermal properties of blends are enhanced by increased PTH content. Applying the Vogel–Tammann–Fulcher model to ionic conductivity measurements, it observed a direct relationship between temperature and free volume, impacting conductivity and ion transport numbers. Certain materials exhibit increased activation energies, indicating substantial thermodynamic barriers to local motion. Higher PTH content within the PVDF matrix notably increased the lithium ion transfer number from 0.22 to 0.71, a change tied to the C–S–C structure of polythiophene. However, elevated PTH levels also led to diminished negative charge transfer and ionic conductivity in the PTH‐PVDF blend compared to pure PVDF, likely due to an ionic conduction hindrance.

Carbon Nanoparticle Oxidation by NO2 and O2: Chemical Kinetics and Reaction Pathways.

Carbon nanoparticle interactions with gases are central to many environmental and technical processes, but the underlying reaction kinetics and mechanisms are not well understood. Here, we investigate the oxidation and gasification of carbon nanoparticles by NO2 and O2 under combustion exhaust conditions. We build on a comprehensive experimental data set and use a kinetic multilayer model (KM-GAP-CARBON) to trace the uptake and release of gas molecules alongside the temporal evolution of particle size and surface composition. The experimental results are captured by a model mechanism that involves different types of carbon atoms (edge/plane-like) and the formation of a reactive oxygen intermediate (activated CO complex) as the rate-limiting step. A transition between distinct chemical regimes driven by NO2 at lower temperatures and O2 at higher temperatures is reflected by an increase in the observable activation energy from 60 kJ/mol to 130 kJ/mol. We derive energy profiles for three alternative reaction pathways that involve uni- or bimolecular decomposition of reactive oxygen intermediates.

Analysis of differential scanning calorimetry data for aged plutonium.

Differential scanning calorimetry data for samples of a 52 year old plutonium alloy with 3.3 at. % Ga that were heated beyond the melting point is analyzed using transition state theory to find activation energies for the δ to ɛ and ɛ to liquid phase transitions. A Bayesian statistical method involving a Gaussian process model is used to find mean values and confidence intervals for the activation energies. The activation energy for the δ to ɛ phase transition increases by 3.3 ± 3.8% per decade, relative to the case when all age related plutonium lattice point defects have been removed through annealing. The corresponding increase in activation energy for the ɛ to liquid transition is shown to be 7.1 ± 1.8% per decade. It is postulated that the change in activation energy with age for both phase transitions is caused, in part, by the accumulation of the same type of lattice point defects associated with the observed increase in elastic bulk modulus over time.

Novel 2D/3D Heterojunction for UV Light‐Emitting Diodes Using Hexagonal Boron Nitride as Hole Injection Layer

The AlGaN materials system has been extensively studied in order to improve the efficiency of UV‐B and UV‐C light‐emitting diodes (LEDs). While progress has been made, significant challenges remain at shorter wavelengths. Most notably, increased Al composition for shorter‐wavelength operation results in increased activation energy of Mg dopants, resulting in low p‐doping. Although p‐doped h‐BN, with a bandgap of 5.9 eV, has been proposed as a potential replacement of p‐doped AlGaN, there have not been demonstrations of LEDs fabricated from p‐doped h‐BN/AlGaN heterostructures. Such unique heterostructures combine 2D p‐doped h‐BN materials with 3D AlGaN materials. Herein, fabrication and characterization of p‐doped h‐BN/AlGaN multiple quantum wells (MQWs)/n‐AlGaN LEDs, demonstrating emission of light at 290 nm corresponding to the AlGaN MQWs, with weaker emission at 262 nm corresponding to the AlGaN barrier, are reported. These results conclusively show hole injection through p‐doped h‐BN into AlGaN and provide a proof of concept that p‐doped h‐BN can be an alternative hole injection layer for UV LEDs.

Effects of aging on mechanical sensitivity threshold and thermal decomposition characteristic of RDX/HMX

In order to analyze the influences of storage aging on the safety of typical elemental explosives, the aged cyclotrimethylene trinitramine (RDX) and cyclotetramethylene tetranitramine (HMX) were prepared by isothermal aging tests. The reaction thresholds of aged RDX and HMX under any ignition probability were studied by Langlie-Optimal D method. The thermal decomposition characteristics of RDX and HMX after aging were analyzed by DSC and ARC. Experimental results showed that compared with unaged RDX and HMX, on the one hand, the critical impact energy and critical friction of RDX and HMX aged for 14, 28 and 56 days are significantly reduced at an explosion probability of 50%, 0.01% and 0.0001%, respectively. With the increase of aging time, the mechanical sensitivity of RDX and HMX increases obviously. On the other hand, the initial decomposition temperature of RDX and HMX after 56 days of aging decreases, the decomposition heat decreases, the activation energy increases, and the reaction difficulty increases.

Analysis of activation energy, chemical reaction, and variable density on magnetically driven heat transportation: Applications in nanofluid lubrication and machining

The importance of this investigation is to examine the heat and mass transportation of magneto nanofluid movement along a heated sheet with exponential temperature-dependent density, entropy optimization, thermal buoyancy, activation energy, and chemical reaction aspects. The influence of these factors in cutting tools by means of machining and nanofluid lubrication is a significant process in cutting zone, chip cleaning, lubricating, and cooling productivity in milling. The corresponding energy activation and chemical process are essential to understand the thermal behavior of nanofluid. The appropriate transformations are used to solve nonlinear partial differential equations within the framework of ordinary differential equations using stream functions and similarity variables. The Keller box method is employed to efficiently solve these equations computationally under the Newton–Raphson approach. Through tables and figures, the fluid velocity, temperature distribution, and concentration consequences are sketched using various controlling parameters. It is seen that the fluid temperature function increases with noticeable amplitude as the Eckert factor, variable density, chemical-reaction, and activation energy increase. It is found that the noticeable enhancement in heat and mass transportation is deduced for maximum Brownian motion and thermophoresis. This work is important in various applications such as cutting fluids, drilling, brake oil, engine oil, minimum quantity lubrication, enhanced oil recovery, and controlled friction between the tool-chip and tool-work during machining operations.

Effect of nano silicon nitride integration on the curing performance of DGEBA epoxy matrix at ambient temperature

Epoxy curing requires substantial thermal energy input and is constrained by the specimen’s scale, shape, and design, especially with autoclave processing. This challenge is addressed in the present study by incorporating Silicon Nitride (SiN) nanoparticles into an epoxy matrix to enhance curing efficiency at room temperature. High-resolution transmission electron microscopy (HR-TEM) demonstrated a uniform dispersion of nanofillers within the epoxy, indicating improved mechanical and thermal stress transfer between the matrix and the filler. The interphase thickness, determined to be 1.16 nm using Lipatov’s theory and differential scanning calorimetry (DSC) thermograms, suggests excellent matrix-filler interaction and a significant increase in cross-link density. Thermogravimetric analysis (TGA) revealed an increase in activation energy by 63 %, 101 %, and 113 % at heating rates of 10, 20, and 30 °C/min, respectively, indicating enhanced thermal stability of the nanocomposite. Additionally, the char yield increased by 7 %, 18 %, and 22 % at the same heating rates, signifying the formation of effective crosslinks, leading to a higher proportion of solid remnants rather than volatiles during degradation.

Solvent diffusion mechanism of gun propellant revealed through molecular dynamics simulation

Drying is an important operational unit in the preparation of nitrocellulose-based gun propellant, which affects the drying quality and drying rate of the product. The diffusion properties of solvents during the drying process determine the rate of internal solvent removal from the gun propellant, so the diffusion behaviors of ethanol and acetone in the gun propellant were investigated based on molecular dynamics simulations. Three models of single-, double- and triple-base gun propellant components were established, and the interactions between the solvent and the components of gun propellant were investigated by radial distribution function, hydrogen bonding and interaction energy calculations, and the free volumes, diffusion coefficients and the activation energies of the solvents were used to describe the solvent diffusion performances. The results showed that the interaction between ethanol and the components of the gun propellant was mainly hydrogen bonding, and the interaction between acetone and the components was mainly van der Waals forces. When the mass ratio of ethanol and acetone is 1:1, the interaction energy between ethanol and the components is greater due to the presence of strong hydrogen bonding, which resulted in a higher diffusion activation energy of ethanol. However, since the molecular volume of ethanol is higher than that of acetone, it makes the diffusion coefficient of ethanol larger. Compared with single-base gun propellant, after adding nitroglycerin and nitroguanidine, the free volume fraction decreases, the sum of the interaction energies between the solvent and the components in gun propellant increases, and the diffusion activation energy increases. Hence, this present work regarding the study of solvent diffusion mechanism of gun propellant can provide theoretically guiding suggestion to the actual drying process and manufacture of gun propellant.

Enhanced stability in Co0.8Ni0.2/NDMCS catalysts: Carbon nitride encapsulation for robust hydrogen generation

Catalytic hydrolysis of NaBH4 is a promising method for "on-demand" hydrogen generation, with cobalt catalysts playing a key role due to their high hydrogen generation rates. However, rapid cobalt dissolution and poor recycling hinder stable hydrogen production. This study presents a dual-mode stabilization technique using carbon nitride encapsulation to address these challenges. Co0.8Ni0.2 alloy nanoparticles (NPs) are confined within N-doped mesoporous carbon spheres (NDMCS) and encapsulated with a carbon nitride shell (∼ 5 nm thick). XPS results reveal strong non-classical metal-support interaction, increasing activation energy from 38.82 to 44.6 kJ mol−1, which controls cobalt's reactivity, leading to excellent recycling efficiency (90 % retention of initial rate, no change in particle size) in high-concentration reactants (2 %NaBH4 + 2 %NaOH). The retention rate drops to 26.8 % without this stabilization due to rapid metal dissolution. This stability of Co0.8Ni0.2 alloy in alkaline conditions has significant practical implications for hydrogen generation and other electrochemical applications.