Enthalpy Research Articles

Advancing hydrogen storage predictions in metal-organic frameworks: A comparative study of LightGBM and random forest models with data enhancement

The escalating consumption of fossil fuels has given rise to a substantial upsurge in greenhouse gas concentrations and global temperatures, which, in turn, has triggered severe climate-related consequences. The critical imperative to reduce CO2 emissions and combat global warming has spurred extensive investigations into clean energy alternatives, with hydrogen emerging as a compelling zero-emission energy source. As a pivotal component of clean energy strategies, hydrogen requires designing compact, lightweight, and efficient storage systems. This study focuses on the development and evaluation of machine learning models for predicting the efficiency of Metal-Organic Frameworks (MOFs) in hydrogen storage, a key aspect of advancing clean energy technologies. MOFs, a class of nanoporous materials, show remarkable potential for hydrogen storage due to their high surface area and porosity. However, selecting the most suitable MOF for this application from a vast array of possible structures is a daunting task. In this context, machine learning algorithms offer an efficient alternative for predicting MOF suitability by considering their structural and chemical properties. We used ensemble learning methods, specifically Light Gradient Boosting Machine (LightGBM) and Random Forest (RF), to predict hydrogen uptake of MOFs based on a dataset of 219 experimentally tested samples. Two modeling scenarios were considered: one using the entire dataset, and the other involving strategic data pre-processing, including outlier removal and feature engineering. The results demonstrate that the measures taken to refine the dataset significantly enhance the predictive performance of the developed models, reducing prediction errors and improving overall goodness of fit. Specifically, the Mean Absolute Error (MAE) values for both the LightGBM and random forest models were reduced from 0.48 and 0.94, respectively, to 0.16 for both models, and the coefficients of determination (R2) increased substantially from 0.84 and 0.72 to 0.95, in both cases. Moreover, feature importance analysis unveiled that pressure-related features make the most significant contributions to the formation of tree ensembles during the model training process. A parametric sensitivity analysis was conducted revealing that H2 uptake in MOFs is most sensitive to changes in adsorption enthalpy, followed by surface area and temperature, while showing lower sensitivity to variations in pressure, consistent with established literature. These results underscore the pivotal role of data enhancement methods in refining machine learning models and can be instrumental in accelerating the development and optimization of MOF materials for clean energy applications.

Decadal Thermal Variability of the Upper Southern Ocean: Zonal Asymmetry

Abstract As the major sink of anthropogenic heat, the Southern Ocean has shown quasi-symmetric, deep-reaching warming since the mid-twentieth century. In comparison, the shorter-term heat storage pattern of the Southern Ocean is more complex and has notable impacts on regional climate and marine ecosystems. By analyzing observational datasets and climate model simulations, this study reveals that the Southern Ocean exhibits prominent decadal (>8 years) variability extending to ∼700-m depth and is characterized by out-of-phase changes in the Pacific and Atlantic–Indian Ocean sectors. Changes in the Pacific sector are larger in magnitude than those in the Atlantic–Indian Ocean sectors and dominate the total heat storage of the Southern Ocean on decadal time scales. Instead of heat uptake through surface heat fluxes, these asymmetric variations arise primarily from wind-driven heat redistribution. Pacemaker and preindustrial simulations of the Community Earth System Model version 1 (CESM1) suggest that these variations in Southern Ocean winds arise primarily from natural variability of the tropical Pacific, as represented by the interdecadal Pacific oscillation (IPO). Through atmospheric teleconnection, the positive phase of the IPO gives rise to higher-than-normal sea level pressure and anticyclonic wind anomalies in the 50°–70°S band of the Pacific sector. These winds lead to warming of 0–700 m by driving the convergence of warm water. The opposite processes, involving cyclonic winds and upper-layer divergence, occur in the Atlantic–Indian Ocean sector. These findings aid our understanding of the time-varying heat storage of the Southern Ocean and provide useful implications on initialized decadal climate prediction.

Phase change material microcapsules doped with phosphorus-based flame retardant filled titanium dioxide nanotubes for enhancing the energy storage and temperature regulation performance of buildings

Solar energy is not only a green alternative to fossil energy but also a candidate for future mainstream energy sources. To improve the efficiency and application range of solar energy, we investigated tris (1-chloro-2-propyl) phosphate (TCPP) modified titanium dioxide nanotubes (TNTs) doped phase change material microcapsules (p-t-MPCMs) to enhance the temperature regulation and flame retardancy of epoxy resin (EP) coatings. Transmission electron microscopy (TEM) and Fourier transform infrared (FTIR) spectroscopy determined the successful preparation of p-TNTs and p-t-MPCMs. Moreover, it was confirmed that the p-t-MPCMs had great thermal stability and reliability by the thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The p-t-MPCMs increased residual mass by 12.2 % at 600 ℃ while correcting the initial melting temperature of MPCMs by 1.0 ℃. Based on the principle of oxygen consumption, the heat release rate (HRR) of EP coatings containing the p-t-MPCMs (p-t-MPCM/EP) was reduced from 665.92 kW/m2 to 443.78 kW/m2, resulting in a total heat release reduction (THR) of 17.73 % tested by a conical calorimeter. Then the results of the miniature chamber model demonstrated that p-t-MPCM/EP had outstanding temperature control ability. In summary, the p-t-MPCMs expressed great potential in regulating building temperature timely and improving the fire safety of EP coatings.

Preparation and characterization of cementitious materials from dedioxinized and dechlorinated municipal solid waste incineration fly ash and blast furnace slag

To address the resource utilization issue of MSWI fly ash, a method has been proposed to prepare cementitious materials using harmlessly processed MSWI fly ash (HPFA). After washing and thermal treatment, The physicochemical properties of HPFA were characterized using QXRD, ICP, XRF, and GC-MS. Cementitious materials were prepared using HPFA, gypsum and blast furnace slag (BFS) as raw materials, Through XRD, TG, FTIR, TEM, and SEM-EDS methods, the hydration and hardening characteristics were investigated, and the leaching of heavy metals from solidified materials in simulated surface water and landfill environments was evaluated using ICP-MS. The results indicate that the harmless treatment can effectively reduce the chloride content and dioxins in MSWI FA but still contains heavy metals. The addition of HPFA (10%-50%) can enhance the compressive strength of cementitious materials, accelerate the exothermic process of cement hydration, and increase the total heat release of hydration, implying an improvement in the degree of hydration of the system.HPFA could effectively promote the hydration of gypsum and BFS, resulting in the higher formation of ettringite and C-(A)-S-H（C/S=1，Al/Si=0.3）.The formation of C(Mg/Fe)-(A)-S-H suggests that the Fe-Mg solid solution phase in HPFA may have participated in the hydration reaction. The increased stability of highly cross-linked (Q4) silicate tetrahedral structure with time implies that the material may have good durability. The leaching amount of heavy metals met the standards of Class I surface water in GB3838–2002 and GB5085.3–2007 which implies that the material has environmental safety. This study innovatively provides a preparation path for harmless MSWI fly ash and cementitious material ratios, reveals the hydration mechanism of HPFA in cementitious materials, evaluates the solidification ability of heavy metals, and provides important ideas for the resource utilization of MSWI fly ash.

Improving Adsorption Efficiency of Recycled Activated Carbon from Household Water Purifiers through Sonication

Objectives:This study evaluated the potential of recycled activated carbon from household water purifiers as an adsorbent for removing methylene blue. It aimed to achieve resource recycling and dyeing wastewater treatment through the sonication modification of recycled activated carbon.Methods:After sieving recycled activated carbon from water purifiers to a particle size of 75-150μm, the material, in this paper referred to as PCB-S, was processed using sonication to enhance its adsorption capacity. The characteristics of PCB-S were analyzed using SEM, XRD and BET analysis. To evaluate its efficacy, adsorption experiments were carried out varying the following parameters: PCB-S dosage (0.05-0.6gL-1), pH (2.0-10.0), initial concentration of methylene blue (100mgL-1), reaction time (1440 min), and temperature (298 K). The data from these experiments were analyzed using first and second-order kinetic models to understand the reaction kinetics, and the adsorption efficiency was further compared using Langmuir and Freundlich isotherm models. Finally, the thermodynamic properties of the adsorption process between PCB-S and methylene blue were studied to determine its endothermic nature and spontaneity.Results and Discussion:The analysis of the surface characteristics of PCB and PCB-S revealed that sonication significantly altered the pore structure of the activated carbon, leading to increases in both the specific surface area and pore volume. XRD analysis, indicated that sonication had no impact on the crystalline or amorphous structure of the activated carbon. PCB-S demonstrated superior porosity and adsorption capabilities compared to PCB. With a dosage of 0.6gL-1, PCB-S was able to remove 65% of methylene blue from the solution. The adsorption kinetics were best described by a pseudo-second-order kinetic model, with the Langmuir adsorption isotherm fitting the data most accurately. The Gibbs free energy (-1.90~-1.32kJ mol-1) and enthalpy change (7.44 kJ mol-1) confirmed that the adsorption reaction was endothermic.Conclusion:This study confirmed that recycled activated carbon from water purifiers exhibits excellent effectiveness as a dye removal adsorbent when subjected to sonication treatment. Therefore, the possibility of utilizing recycled household water purifier filters as adsorbents is expected to contribute to reducing waste disposal costs by promoting resource recycling.

Facile Characterization of Isothermal Crystallization and Microphase Separation Kinetics of Polyamide 6 (PA6)‐Based Thermoplastic Elastomers

AbstractThe facile characterization of isothermal microphase separation kinetics in polyamide 6 (PA6)‐based thermoplastic elastomers (TPAE‐6) has long posed a challenge for the development of suitable melt spinning processes. In this study, this challenge is addressed through differential scanning calorimetry (DSC) measurements. It is assumed that the enthalpy changes of TPAE‐6 during the isothermal process are a linear superposition of enthalpy changes associated with microphase separation and crystallization of PA6 in hard phases, resembling that of TPAE‐6 without soft segments (TPAE‐6‐0). The study reveals that, as the concentration of soft segments in TPAE‐6 increases, the accelerated dynamics of phase separation become stronger than the dilution of soft segments to PA6 segments during isothermal process, resulting in an increase in the microphase separation rate of TPAE‐6. Furthermore, despite microphase separation, the overall crystallization rate of TPAE‐6 decreases with rising isothermal temperature and varies with increasing soft segment content at different temperatures. Additionally, the crystallization mode of TPAE‐6 follows two‐dimensional, three‐dimensional, or a combination of both crystal growth mechanisms, accompanied by a heterogeneous nucleation mechanism.

Self-assembly of choline-based surface-active ionic liquids and concentration-dependent enhancement in the enzymatic activity of cellulase in aqueous medium.

The micellization of choline-based anionic surface-active ionic liquids (SAILs) having lauroyl sarcosinate [Sar]-, dodecylsulfate [DS]-, and deoxycholate [Doc]- as counter-ions was investigated in an aqueous medium. Density functional theory (DFT) was employed to investigate the net interactional energy (Enet), extent of non-covalent interactions, and band gap of the choline-based SAILs. The critical micelle concentration (cmc) along with various parameters related to the surface adsorption, counter-ion binding (β), and polarity of the cores of the micelles were deduced employing surface tension measurements, conductometric titrations and fluorescence spectroscopy, respectively. A dynamic light scattering (DLS) system equipped with zeta-potential measurement set-up and small-angle neutron scattering (SANS) were used to predict the size, zeta-potential, and morphology, respectively, of the formed micelles. Thermodynamic parameters such as standard Gibb's free energy and standard enthalpy change of micellization were calculated using isothermal titration calorimetry (ITC). Upon comparing with sodium salt analogues, it was established that the micellization was predominantly governed by the extent of hydration of [Cho]+, the head groups of the respective anions, and the degree of counter-ion binding (β). Considering the concentration dependence of the enzyme-SAIL interactions, aqueous solutions of the synthesized SAILs at two different concentrations (below and above the cmc) were utilized as the medium for testing the enzymatic activity of cellulase. The activity of cellulase was found to be ∼7- to ∼13-fold higher compared to that observed in buffers in monomeric solutions of the SAILs and followed the order: [Cho][Sar] > [Cho][DS] > [Cho][Doc]. In the micellar solution, a ∼4- to 5-fold increase in enzymatic activity was observed.

Mott-Schottky Construction Boosted Plasmon Thermal and Electronic Effects on the Ag/CoV-LDH Nanohybrids for Highly-Efficient Water Oxidation.

Mott-Schottky construction and plasmon excitation represent two highly-efficient and closely-linked coping strategies to the high energy loss of oxygen evolution reaction (OER), but the combined effect has rarely been investigated. Herein, with Ag nanoparticles as electronic structure regulator and plasmon exciter, Ag/CoV-LDH@G nanohybrids (NHs) with Mott-Schottky heterojunction and notable plasmon effect are well-designed. Combining theoretical calculations with experiments, it is found that the Mott-Schottky construction modulates the Fermi level/energy band structure of CoV-LDH, which in turn leads to lowered d-band center (from -0.89 to -0.93), OER energy barrier (from 6.78 to 1.31eV), and preeminent plasmon thermal/electronic effects. The thermal effect can offset the endothermic enthalpy change of OER, promote the deprotonation of *OOH, and accelerate electron transfer kinetics. Whereas the electronic effect can increase the density of charge carriers (from 0.70×1020 to 1.64×1020 cm-3), lower the activation energy of OER (from 30.3 to 17.7kJ mol-1). Benefiting from these favorable factors, the Ag/CoV-LDH@G NHs show remarkable electrocatalytic performances, with an overpotential of 178 and 263mV to afford 10 and 100mA cm-2 for OER, respectively, and a low cell voltage of 1.42V to drive 10mA cm-2 for overall water splitting under near-infrared light irradiation.

Optimal design on fin-metal foam hybrid structure for melting and solidification phase change storage: An experimental and numerical study

A fin-metal foam composite structure is employed in the phase change energy storage coupled Organic Rankine Cycle system to enhance thermal performance. The 3-D numerical model is validated through an experimental system to analyze the impact of metal foam parameters and fluctuating heat source parameters (amplitude and half-period) on the system's storage-release process during heat source fluctuation. According to the Taguchi method, metal foam porosity significantly influences the total storage-release time. An increase in porosity leads to a continuous increase in the total storage-release time, while an increase in PPI and a decrease in heat source amplitude initially increase and then decrease the total storage-release time. Under constant metal foam PPI (10) and porosity (0.97), Case T (half period = 60 and amplitude = 1.0) demonstrates a 2.04 % increase in average heat transfer rate and a 1.78 % reduction in total storage-release time compared to Case 0 (constant heat source). The average heat release rate sees a 4.23 % increase, while total heat storage and heat release rise by 0.96 % and 1.87 %. The research has specific technical significance for the photothermal application of phase change energy storage technology to the variability and unpredictability of solar energy.

Pyrolysis of multilayered plastic packets to hydrocarbon fuel feedstock: Thermal degradation behaviour, kinetics and thermodynamic analysis, and semi-batch studies

This study examines the kinetics and batch pyrolysis behavior of multilayered waste milk packets to optimize their conversion into valuable products. Using thermogravimetric analysis at heating rates of 5, 10, 15, and 20 °C/min and employing the model fitting and model-free methods such as the Kissinger-Akahira-Sunose (KAS), Flynn-Wall-Ozawa (FWO), and Kissinger methods, the process was found to follow an F1 order-based mechanism with an activation energy of 304 kJ/mol and a pre-exponential factor of 2.60 × 1012 min.−1 The maximum weight loss (97.2 %) occurs at 5 °C/min. The average changes in free energy, enthalpy, and entropy are 814.939 kJ/mol, 135.698 kJ/mol, and −903.846 × 10−3 kJK−1mol−1 respectively. At 450 °C, the maximum pyrolytic oil yield reaches 66.92 %, with FTIR analysis confirming the presence of diverse hydrocarbon components such as alkanes, alkenes, cycloalkanes, aromatic hydrocarbons etc. in the oil. Kinetic triplet and thermodynamic parameter data, alongside physical and chemical analyses, suggest that the pyrolytic oil from multilayered waste milk packets could serve as a superior substitute for petrochemical fuel oil.

Trajectory Optimization and Multiple-Sliding-Surface Terminal Guidance in the Lifting Atmospheric Reentry

AbstractIn this paper, the problem of guiding a vehicle from the entry interface to the ground is addressed. The Space Shuttle Orbiter is assumed as the reference vehicle and its aerodynamics data are interpolated to properly simulate its dynamics. The transatmospheric guidance is based on an open-loop optimal strategy which minimizes the total heat input absorbed by the vehicle while satisfying all the constraints. Instead, the terminal phase guidance is achieved through a multiple-sliding-surface technique, which is able to drive the vehicle toward a specified landing point with desired heading angle and vertical velocity at touchdown, even in the presence of nonnominal initial conditions. The terminal guidance strategy is successfully tested through a Monte Carlo campaign, in the presence of stochastic winds and wide dispersions on the initial conditions at the terminal area energy management, in more critical scenarios with respect to the orbiter safety criteria.

Preparation and properties investigation of flame‐retardant rigid polyurethane foam composites based on alkylphosphate oligomer

AbstractIn this work, FR‐PNX, an alkylphosphate oligomer was introduced into rigid polyurethane foam (RPUF) to fabricate FR‐PNX/RPUF composites. The flame retardancy, thermal stability, and combustion properties of composites were investigated by limiting oxygen index (LOI), thermogravimetric (TG), microcalorimetry (MCC), scanning electron microscopy (SEM), et al. The flame retardancy tests demonstrated that the incorporation of 50 phr of FR‐PNX yielded composites that the highest LOI of 23.6 vol% and achieved a V‐0 rating in the UL‐94 test. TG results indicated that FR‐PNX promoted the decomposition of FR‐RPUF in the process, but enhanced the high‐temperature stability of the composites. MCC analyses revealed that the addition of FR‐PNX suppressed the heat release during combustion, and FR‐PNX50/RPUF exhibited the lowest total heat release of 17.3 MJ/m2, a 35% reduction compared to the pure sample. Moreover, the peak heat release rate was decreased to 83.1 W/g, representing a 46.9% reduction compared to pure RPUF. SEM and Raman analyses of the char residue demonstrated that the incorporation of FR‐PNX facilitated the formation of a dense and continuous char layer in the FR‐RPUF, with increased graphitization degree of the char layer, thereby enhancing the composite's fire resistance through the development of a more stable fire barrier.

Removal of the bemacid blue E-TL using granular activated carbon from abundant biomass: adsorption isotherm, thermodynamic and kinetic studies

In this work, we were interested in the adsorption of an acid dye, Bemacid Blue E-TL by granular activated carbon based on olive stones. To shed light on the adsorption process, batch experiments were performed to study the effect of operating parameters on the adsorption process such as equilibrium time, GAC dose, pH, initial dye concentration, and temperature. The experimental results showed that the adsorption of the dye Bemacid Blue E-TL by GAC based on olive stones depends on the equilibrium time at 8 hours, the pH is 2 of the solution and the dose is 5 g.L-1. To explain the adsorption equilibrium, the experimental values were examined by Langmuir, Freundlich, and Temkin models. The equilibrium is perfectly described by the Langmuir model whose correlation coefficient is higher than 0.99. The maximum retained quantity of the Bemacid Blue E-TL is 55.6 mg.g-1. Different kinetic models such as pseudo-first order, pseudo-second order, and the intraparticle diffusion equation were used to evaluate the adsorption kinetics. The results of the kinetic modeling showed that the pseudo-second order fitted the data well, with a high coefficient of determination (R2 > 0.99) and intra-particle diffusion is not the only rate-limiting step. The thermodynamic parameter values enthalpy (ΔH°), entropy (ΔS°), and energy change (ΔG°) show that the adsorption processes are endothermic and spontaneous. The various results obtained are promising and encouraging to consider a more comprehensive study with the objective of showing that the adsorbent chosen for this study is effective and could be used as a low-cost adsorbent for acid dye removal.

Solubility measurement, thermodynamic modeling, and molecular dynamic simulation of glycylglycine in five binary solvents

Glycylglycine (Gly–Gly) is a crucial biochemical reagent widely used in cosmetics, food additives, and medicine. Using the equilibrium method, the solubility data of Gly–Gly in four binary solvents (ethanol/isopropanol/ethanediol/acetone + water) were investigated at temperatures over a range of 288.15–328.15 K under 101.3 kPa, as well as in the binary solvent of acetic acid + water from 293.15 to 333.15 K. The solubility data were correlated by Apelblat-Jouyban Acree, Van’t Hoff-Jouyban Acree, and CNIBS/Redlich-Kister models. Additionally, the radial distribution function was obtained through molecular dynamic simulation. It presented the unusual dissolution behavior of Gly–Gly in acetic acid and water mixture. The apparent thermodynamic properties, including standard enthalpy, Gibbs free energy, and entropy change of dissolution, were obtained accordingly. This article could help the industrial crystallization of Gly–Gly.

A novel flame retardant epoxy thermoset based on renewable honokiol and furfuryl alcohol

In this study, honokiol epoxy resin was directly functionalized by bio-based material honokiol, which was combined with furfuryl alcohol-derived flame retardant by Diels-Alder reaction to prepare bio-based epoxy cross-linking system. After curing with 4,4′-diaminodiphenyl methane, HE1/FP0.5/DDM (121.37 °C) offered higher glass transition temperature than EP/DDM (91.75 °C). Meanwhile, the HE1/FP0.5/DDM exhibited excellent thermal stability and flame retardancy compared to EP/DDM. The char residue of HE1/FP0.5/DDM was obviously increased from 12.8% (EP/DDM) to 35.6% at 700 °C. Notably, the HE1/FP0.5/DDM achieved a limiting oxygen index value of 37.4% and UL-94 V-0 rating. Cone calorimeter demonstrated that the peak heat release rate, total heat release and fire growth rate of HE1/FP0.5/DDM were 400.29 kW/m2, 33.45 MJ/m2 and 4.40 kW/m2·s, reduced by 57.47%, 63.39% and 41.1% compared with EP/DDM, respectively. The satisfactory flame retardancy and smoke suppression were attributed to the flame-retardant function of FP in the condensed and gas phases. Thus, this work not only provided a simple but also eco-friendly approach to achieve flame retardant thermosets from honokiol to replace bisphenol A epoxy.

Tailoring Spinel with Perovskite: Sr Substitution in the Perovskite Phase of CoFe2O4–LaCoO3 Nanocomposite for Oxygen Evolution and Methanol Oxidation in Alkaline Medium

CoFe2O4–La1−xSrxCoO3 (x = 0.2, 0.6, 0.8) composites have been synthesized using a two‐step, low‐temperature wet chemical approach that combines coprecipitation and sol–gel techniques. The composite materials have been physicochemically analyzed using Fourier‐transform infrared spectroscopy, X‐ray diffraction, and scanning electron microscope. The electrocatalytic properties of the composite materials have been assessed in terms of their performance in oxygen evolution reaction (OER) and methanol oxidation reaction (MOR) in alkaline medium. Cyclic voltammetry has been used for analyzing the redox behavior of the materials in 1 M KOH solution. The electrocatalytic activity of the materials has been assessed using anodic polarization curves on Ni substrate and the CoFe2O4–La0.2Sr0.8CoO3 film electrode demonstrates excellent activity, with current densities of 11.1 mA cm−2 for OER and 47.4 mA cm−2 for MOR at 650 mV. Also, the CoFe2O4–La0.2Sr0.8CoO3 film electrode has the maximum specific activity of 1.1 × 103 mA cm−2 g−1 at 650 mV toward OER. The electrodes’ stability has been assessed through chronoamperometric experiments and additional insight into the enhancement of electrocatalytic activity gained through the electrochemical surface area estimations using electrochemical impedance spectroscopy. From chronoamperometric experiment, it has been observed that the CoFe2O4–La0.2Sr0.8CoO3 film electrode attains stability within 114 s with a current density of 108.7 mA cm−2. Furthermore, the thermodynamic parameters, including the standard enthalpy of activation (ΔH°#), standard entropy of activation (ΔS°#), and standard electrochemical energy of activation (), have been estimated by anodic polarization curve recorded in KOH as well as KOH with CH3OH solutions at various temperatures.

Diaminodiphenylmethane modified zirconium phosphate: A new strategy for trace addition to improve flame retardancy, smoke inhibition, and compatibility of epoxy resins

AbstractHigh‐efficient flame retardants (ZrP‐DDM) were synthesized successfully via ion‐exchange method, using diaminodiphenylmethane (DDM) modified layered zirconium phosphate (α‐ZrP). Trace addition of ZrP‐DDM in epoxy resins (EP) can enhance the flame‐retardant, smoke‐inhibition, mechanical, and thermal stability properties of EP composites. As shown in the results, ZrP‐DDM exhibits a better synergistic effect than α‐ZrP, and the EP composites containing 0.5 wt% ZrP‐DDM (EP/0.5ZrP‐DDM) show excellent flame‐retardant and smoke‐inhibition properties. Especially, EP/0.5ZrP‐DDM possesses a limiting oxygen index (LOI) of 33.7% with UL94 V‐1 rating, while the EP composites containing 0.5 wt% ZrP (EP/0.5ZrP) has a LOI of 30.1% and fails to achieve the UL94 rating. Furthermore, the peak heat release rate (PHRR), total heat release rate (THR), and smoke density rating of EP/0.5ZrP‐DDM decrease by 10.2%, 3.7%, and 8.2% compared with EP/0.5ZrP. Based on condensed‐phase product analysis, EP/ZrP‐DDM sample provides a gas source for intumescent char layer, and produces a stable phosphorus‐rich crosslinking structures during combustion, thus decreasing the fire hazard of the composite material. Meanwhile, the introduction of ZrP‐DDM has a less impact on tensile strength of EP composites compared with α‐ZrP, suggesting the addition of ZrP‐DDM effectively enhances the compatibility with the EP matrix, thereby maintaining excellent mechanical properties of the EP matrix.

Combustion Characteristics, Kinetics and Thermodynamics of Peanut Shell for Its Bioenergy Valorization

To realize the utilization of peanut shell, this study investigates the combustion behavior, chemical kinetics and thermodynamic parameters of peanut shell using TGA under atmospheric air at the heating rates of 10, 20, and 30 K/min. Results indicate that increasing the heating rate leads to higher ignition, burnout, and peak temperatures, as observed in the TG/DTG curves shifting to the right. Analysis of combustion performance parameters suggest that higher heating rates can enhance combustion performances. Kinetic analysis using two model-free methods, KAS and FWO, shows that the activation energy (Eα) ranges from 93.30 to 109.65 kJ/mol for FWO and 89.72 to 103.88 kJ/mol for KAS. The data fit well with coefficient of determination values (R2) close to 1 and the mean squared error values (MSE) less than 0.006. Pre-exponential factors using FWO range from 2.19 × 106 to 8.08 × 107 s–1, and for KAS range from 9.72 × 105 to 2.25 × 107 s–1. Thermodynamic analysis indicates a low-energy barrier (≤±6 kJ/mol) between activation energy and enthalpy changes, suggesting easy reaction initiation. Furthermore, variations in enthalpy (ΔH), Gibbs free energy (ΔG), and entropy (ΔS) upon conversion (α) suggest that peanut shell combustion is endothermic and non-spontaneous, with the generation of more homogeneous or well-ordered products as combustion progresses. These findings offer a theoretical basis and data support for the further utilization of agricultural biomass.

Facile synthesis of anthranilic acid based dual functionalized novel hyper cross-linked polymer for promising CO2 capture and efficient Cr3+ adsorption

A novel hyper cross-linked polymer of 2-Aminobenzoic acid (HCP-AA) is synthesized for the adsorption of Cr3+ and CO2. The Brunauer–Emmett–Teller surface area of HCP-AA is 615 m2 g−1. HCP-AA of particle size 0.5 nm showed maximum adsorption of Cr3+ for lab prepared wastewater (93%) while it was 88% for real industrial wastewater. It is might be due to electrostatic interactions, cation-π interactions, lone pair interactions and cation exchange at pH 7; contact time of 8 min; adsorbent dose 0.8 g. The adsorption capacity was calculated 52.63 mg g−1 for chromium metal ions at optimum conditions. Freundlich isotherm studies R2 = 0.9273 value is the best fit and follows pseudo second order kinetic model (R2 = 0.979). The adsorption is found non-spontaneous and exothermic through thermodynamic calculations like Gibbs free energy (ΔG), enthalpy change (ΔH) and entropy change (ΔS) were 6.58 kJ mol−1, − 60.91 kJ mol−1 and − 45.79 kJ mol−1 K−1, respectively. The CO2 adsorption capacity of HCP-AA is 1.39 mmol/g with quantity of 31.1 cm3/g (6.1 wt%) at 273Kwhile at 298 K adsorption capacity is 1.12 mmol/g with quantity 25.2 cm3/g (5 wt%). Overall, study suggests that carboxyl (–COOH) and amino (–NH2) groups may be actively enhancing the adsorption capacity of HCP-AA for Cr3+ and CO2.

Interface engineering of multi-component core-shell flame retardant towards enhancing fire safety of thermoplastic polyurethane and mechanism investigation

Polymeric materials usually present substantial hazards to human health and the environment as a consequence of their flammability which leads to the emission of a great deal of heat and toxic fumes. To address this issue, it is imperative to urgently enhance the flame retardancy of polymer materials. This study focuses on the synthesis of a novel gel-silica/polydopamine double-layer microencapsulated cobalt ions (Co2+) modified ammonium polyphosphate (APP-Co@PDA@Si) and its utilization in thermoplastic polyurethane (TPU) composites. The resulting TPU composite, containing 10.0 wt% APP-Co@PDA@Si, exhibited excellent flame-retardant properties, i.e. achieving a limiting oxygen index of 30.0 % and the V-0 grade in the UL-94 test. Furthermore, peak heat release rate, total heat release, peak smoke production rate, and total smoke release of the TPU composite were decreased by 88.51 %, 66.06 %, 61.73 %, and 74.01 %, respectively, in comparison to those of pure TPU. The enhanced fire safety of the TPU composite was attributed to the synergistic effect among Co2+ catalytic carbonization, the free radicals capture effect of APP, and the flame-retardant functions of PDA and silane. This innovative strategy proposed in this work holds great promise for improving the fire-resistance of TPU.