Search Results (270)

The combined application of fibers and lightweight aggregates (LWAs) represents an effective approach to achieving high-strength, lightweight concrete. To enhance the predictability of the mechanical properties of fiber-reinforced lightweight aggregate concrete (LWAC), this study conducts an in-depth investigation into its hydration characteristics. In this study, high-strength LWAC was developed by incorporating low water absorption LWAs, various volume fractions of basalt fiber (BF) (0.1%, 0.2%, and 0.3%), and a ternary cementitious system consisting of 70% cement, 20% fly ash, and 10% silica fume. The hydration-related properties were evaluated through isothermal calorimetry test and high-temperature calcination test. The results indicate that incorporating 0.1–0.3% fibers into the cementitious system delays the early hydration process, with a reduced peak heat release rate and a delayed peak heat release time compared to the control group. However, fitting the cumulative heat release over a 72-h period using the Knudsen equation suggests that BF has a minor impact on the final degree of hydration, with the difference in maximum heat release not exceeding 3%. Additionally, the calculation model for the final degree of hydration in the ternary binding system was also revised based on the maximum heat release at different water-to-binder ratios. The results for chemically bound water content show that compared with the pre-wetted LWA group, under identical net water content conditions, the non-pre-wetted LWA group exhibits a significant reduction at three days, with a decrease of 28.8%; while under identical total water content conditions it shows maximum reduction at ninety days with a decrease of 5%. This indicates that pre-wetted LWAs help maintain an effective water-to-binder ratio and facilitate continuous advancement in long-term hydration reactions. Based on these results, influence coefficients related to LWAs for both final degree of hydration and hydration rate were integrated into calculation models for degrees of hydration. Ultimately, this study verified reliability of strength prediction models based on degrees of hydration. Full article

Atmospheric climate science lacks the capacity to integrate thermodynamics with the gravitational potential of air in a classical quantum theory. To what extent can we identify Carnot’s ideal heat engine cycle in reversible isothermal and isentropic phases between dual temperatures partitioning heat flow with coupled work processes in the atmosphere? Using statistical action mechanics to describe Carnot’s cycle, the maximum rate of work possible can be integrated for the working gases as equal to variations in the absolute Gibbs energy, estimated as sustaining field quanta consistent with Carnot’s definition of heat as caloric. His treatise of 1824 even gave equations expressing work potential as a function of differences in temperature and the logarithm of the change in density and volume. Second, Carnot’s mechanical principle of cooling caused by gas dilation or warming by compression can be applied to tropospheric heat–work cycles in anticyclones and cyclones. Third, the virial theorem of Lagrange and Clausius based on least action predicts a more accurate temperature gradient with altitude near 6.5–6.9 °C per km, requiring that the Gibbs rotational quantum energies of gas molecules exchange reversibly with gravitational potential. This predicts a diminished role for the radiative transfer of energy from the atmosphere to the surface, in contrast to the Trenberth global radiative budget of ≈330 watts per square metre as downwelling radiation. The spectral absorptivity of greenhouse gas for surface radiation into the troposphere enables thermal recycling, sustaining air masses in Lagrangian action. This obviates the current paradigm of cooling with altitude by adiabatic expansion. The virial-action theorem must also control non-reversible heat–work Carnot cycles, with turbulent friction raising the surface temperature. Dissipative surface warming raises the surface pressure by heating, sustaining the weight of the atmosphere to varying altitudes according to latitude and seasonal angles of insolation. New predictions for experimental testing are now emerging from this virial-action hypothesis for climate, linking vortical energy potential with convective and turbulent exchanges of work and heat, proposed as the efficient cause setting the thermal temperature of surface materials. Full article

Resin Transfer Molding (RTM) is a widely used composite manufacturing process where liquid resin is injected into a closed mold filled with a fibrous preform. By applying this process, large pieces with complex shapes can be produced on an industrial scale, presenting excellent properties and quality. A true physical phenomenon occurring in the RTM process, especially when using vegetable fibers, is related to the absorption of resin by the fiber during the infiltration process. The real effect is related to the slowdown in the advance of the fluid flow front, increasing the mold filling time. This phenomenon is little explored in the literature, especially for non-isothermal conditions. In this sense, this paper does a numerical study of the liquid injection process in a closed and heated mold. The proposed mathematical modeling considers the radial, three-dimensional, and transient flow, variable injection pressure, and fluid viscosity, including the effect of liquid fluid absorption by the reinforcement (fiber). Simulations were carried out using Computational Fluid Dynamic tools. The numerical results of the filling time were compared with experimental results, and a good approximation was obtained. Further, the pressure, temperature, velocity, and volumetric fraction fields, as well as the transient history of the fluid front position and injection fluid volumetric flow rate, are presented and analyzed. Full article

We studied the adsorption thermodynamics and mechanism behind the binding of nitric oxide (NO) in the interior surfaces and structural fragments of the high metal center density microporous Metal-Organic Framework (MOF) CPO-27-Cu, by gas sorption, at a series of temperatures. For the purpose of comparison, we also measured the corresponding CO₂ adsorption isotherms, and as a result, the isosteric heats of adsorption for the two studied adsorptives were derived, being in the range of 12–15 kJ/mol for NO at loadings up to 0.5 NO molecules per formula unit (f.u.) of the bare compound (C₄O₃HCu), and 23–25 kJ/mol CO₂ in the range 0–1 CO₂ per f.u. Microscopically, the mode of NO binding near the square pyramid Cu(II) centers was directly accessed with the use of in situ NO gas adsorption X-ray Absorption Spectroscopy (XAS). Additionally, during the vacuum/temperature activation of the material and consequent NO adsorption, the electronic state of the Cu-species was monitored by observing the corresponding X-ray Near Edge Spectra (XANES). Contrary to the previously anticipated chemisorption mechanism for NO binding at Cu(II) species, we found that at slightly elevated temperatures, under ambient, but also cryogenic conditions, only relatively weak physisorption takes place, with no evidence for a particular adsorption preference to the coordinatively unsaturated Cu-centers of the material. Full article

Understanding the binding interactions between protein-bound uremic toxins (PBUTs) and human serum albumin (HSA) is critical for advancing treatments for chronic kidney disease (CKD). While previous studies have suggested that putrescine, a diamine PBUT, exhibits moderate binding affinity to HSA, this study provides evidence of the contrary. Using isothermal titration calorimetry and saturation transfer difference nuclear magnetic resonance , we demonstrate that putrescine’s interaction with HSA is weak, non-specific, and thermodynamically negligible in the range of conditions studied. Unlike earlier studies relying on spectroscopy techniques such as UV–visible absorption and fluorescence, which may overestimate binding strength, the results presented here highlight the limitations of indirect methodologies and underscore the importance of more sensitive approaches for accurate energy characterization. Our findings suggest that putrescine only weakly interacts non-specifically with HSA and may bind more preferentially to other plasma proteins, contributing to its accumulation in CKD patients. Full article

This study reports the synthesis, structural characterization, adsorption studies, nanoscale interaction, and photocatalytic application of pure and Fe-doped ZnS quantum dots for the degradation of the antibiotic cefalexin in aqueous solution. Nanoparticles were synthesized via the microwave-assisted method, and Fe doping was introduced at a 1% molar ratio. HRTEM images confirmed quasi-spherical morphology and high crystallinity, with particle sizes averaging 2.4 nm (pure) and 3.5 nm (doped). XRD analysis showed a consistent cubic ZnS structure. UV-vis spectra showed strong absorption at 316 nm for both samples, and PL measurements revealed emission quenching upon Fe doping. Photocatalytic tests under UV light demonstrated significantly higher degradation rates of 10 ppm cefalexin with Fe-doped ZnS, reaching near-complete removal within 90 min. Adsorption experiments revealed higher affinity and adsorption capacity of Fe-doped ZnS toward cefalexin compared to pure ZnS, as demonstrated by the Freundlich isotherm analyses, contributing significantly to enhanced photocatalytic degradation performance. High-resolution QTOF LC-MS analysis confirmed the breakdown of the β-lactam and thiazolidine rings of cefalexin and the formation of low-mass degradation products, including fragments at m/z 122.0371, 116.0937, and 318.2241. These findings provide strong evidence for the structural destruction of the antibiotic and validate the enhanced photocatalytic performance of Fe-doped ZnS. Full article

The interaction between cucurbit[8]uril (Q[8]) and the guest 1-methyl-4-(4-(1-methylpyridin-1-ium-4-yl)benzamido)pyridin-1-ium (PB²⁺) has been thoroughly investigated. Multiple techniques were employed, including ¹H NMR spectroscopy, mass spectrometry, isothermal titration calorimetry (ITC), UV–vis absorption spectrophotometry, and quantum chemistry calculations. The experimental results and calculation analysis have clearly shown that in aqueous solution, the host Q[8] preferentially encapsulates the phenylpyridinium salt moiety of the PB²⁺ guest within its hydrophobic cavity, forming a 1:2 inclusion complex. Full article

Ru/TiO₂ catalysts are well known for their high activity in the hydrogenation of CO₂ to CH₄ (the Sabatier reaction). This activity is commonly attributed to strong metal–support interactions (SMSIs), associated with reducible oxide layers partly covering the Ru-metal particles. Moreover, isothermal rates of formation of CH₄ can be significantly enhanced by the exposure of Ru/TiO₂ to light of UV/visible wavelengths, even at relatively low intensities. In this study, we confirm the significant enhancement in the rate of formation of methane in the conversion of CO₂, e.g., at 200 °C from ~1.2 mol g_Ru⁻¹·h⁻¹ to ~1.8 mol g_Ru⁻¹·h⁻¹ by UV/Vis illumination of a hydrogen-treated Ru/TiO_x catalyst. The activation energy does not change upon illumination—the rate enhancement coincides with a temperature increase of approximately 10 °C in steady state (flow) conditions. In-situ DRIFT experiments, performed in batch mode, demonstrate that the Ru–CO absorption frequency is shifted and the intensity reduced by combined UV/Vis illumination in the temperature range of 200–350 °C, which is more significant than can be explained by temperature enhancement alone. Moreover, exposing the catalyst to either UV (predominantly exciting TiO₂) or visible illumination (exclusively exciting Ru) at small intensities leads to very similar effects on Ru–CO IR intensities, formed in situ by exposure to CO₂. This further confirms that the temperature increase is likely not the only explanation for the enhancement in the reaction rates. Rather, as corroborated by photophysical studies reported in the literature, we propose that illumination induces changes in the electron density of Ru partly covered by a thin layer of TiO_x, lowering the CO coverage, and thus enhancing the methane formation rate upon illumination. Full article

To elucidate the gas adsorption characteristics of medium-rank coal, this study collected samples from fresh mining faces in the Qinshui Basin. A series of experiments were conducted, including low-temperature carbon dioxide adsorption, low-temperature liquid nitrogen adsorption, mercury intrusion, and methane isothermal adsorption experiments, which clarify the pore structure characteristics of medium-rank coals, reveal the gas adsorption behavior in medium-rank coal, and identify the control mechanism. The results demonstrate that the modified Dubinin–Radushkevich (D-R) isothermal adsorption model accurately describes the gas adsorption in medium-rank coal, with fitting errors remaining below 1%. Comprehensive pore structure analysis reveals that the coal pore volume consists primarily of absorption pores (<2 nm), transitional pores (10–100 nm), and seepage pores (>100 nm), while the specific surface area is predominantly contributed by absorption pores (<2 nm). At low pressures, gas molecules form monolayer adsorption on absorption pore (<2 nm) and adsorption pore (2–10 nm) surfaces. With increasing pressure, multilayer adsorption dominates. As pore filling approaches the maximum capacity, the adsorption rate decreases progressively until reaching an equilibrium, at which point the adsorption capacity attains its saturation limit. The adsorption data of the gas in medium-rank coal can be explained by the improved D-R isothermal adsorption model. The priority of gas filling in pores is different, and the absorption pore is normally better than the adsorption pore. The results provide a new idea and understanding for the further study of the coalbed gas adsorption mechanism. Full article

In recent years, climate change has attracted the attention of the scientific community. These changes are attributed to human action, which is responsible for the emission of polluting gases, mainly through the burning of fossil fuels, deforestation, and industrial processes that are responsible for the greenhouse effect. Post-combustion CO₂ capture using solid adsorbents is a technology that is currently gaining prominence as an alternative and viable form of capture to other industrial processes used. Zeolites are adsorbents capable of capturing CO₂ selectively due to their properties such as textural properties, high surface area, and active sites. In this context, this work developed materials with a zeolite structure with an alternative low-cost silica source from beach sand, called MPI silica, to make the process eco-friendly. Crystallization time studies were carried out for materials containing MFI-type zeolites with MPI silica with a time of 15 h (ZM 15 h) and 3 days (SM 3 d), with relative crystallinities of 92.90% and 111.90%, respectively. The synthesized materials were characterized by several techniques such as X-ray diffraction (XRD), X-ray fluorescence (XRF), the textural analysis of N₂ adsorption/desorption isotherms, absorption spectroscopy in the infrared region with Fourier transform (FTIR), scanning electron microscopy (SEM), and thermal analysis. The evaluation of the experimental adsorption isotherms showed that the best results were for the zeolites synthesized in the basic medium, namely ZMP 3 d, ZM 10.5 h, and ZM 15 h, with capacities of 3.72, 3.10, and 3.22 mmol/g of CO₂, respectively, and in the hydrofluoric medium, namely SP 9 d, SM 3 d, and SM 6 d, with capacities of 3.94, 3.78, and 3.60 mmol/g of CO₂, respectively. The evaluation of the mathematical models indicated that the zeolites in the basic medium best fitted the Freündlich model, namely ZMP 3 d, ZM 10.5 h, and ZM 15 h, with capacities of 2.56, 1.68, and 1.87 mmol/g of CO₂, respectively. The zeolites in the hydrofluoric medium are adjusted to the Langmuir model (SP 9 d and SM 3 d) and Temkin model (SM 6 d), with capacities of 3.79, 2.23, and 2.11 mmol/g of CO₂, respectively. Full article

The occurrence of heavy metals in aquatic ecosystems is a serious environmental hazard, and their effective removal is imperative. In this regard, the feasibility of living microalga Chlorella vulgaris (C. vulgaris) to remove heavy metals (Ni, Pb, Zn, Cd, and Cu) is investigated by using 1, 5, and 10 ppm concentrations of single- and multiple-metal-treated (MT) cultures. Experiments were performed in controlled laboratory conditions, and metal removal analysis was performed through atomic absorption spectroscopy (AAS). The cultures were also examined by means of optical microscopy, UV-Vis spectrophotometry, and Fourier transform infrared (FTIR) spectroscopy to follow the cultures’ pigment content, cell population, and functional group changes during cultivation. The removal efficiency results of both single and multiple MT cultures were evaluated using the Langmuir isotherm model. The results indicate that C. vulgaris presents potential for heavy metal bioremediation, even towards multi-MT conditions, despite the influence of a competitive uptake in multi-MT cultures. In mono-MT cultures, the removal efficiency of C. vulgaris presents values of 65–99% on Day 3 and 72–99% on Day 7 of cultivation, while the results for the multi-MT cultures are 49–99% and 62–99% for Days 3 and 7 of cultivation, respectively. The research illustrates the potential for C. vulgaris as a promising biosorbent for heavy metal remediation along with its post-treatment use in applications supporting the green circular economy. Full article

The moisture content in a building material has a negative impact on its technical parameters. This problem applies in particular to highly porous materials, including those based on aerogel. This paper presents moisture tests on a new generation of alkali-activated materials (AAMs) with different aerogel contents. Silica aerogel particles were used as a partial replacement for the lightweight sintered fly ash-based aggregate at levels of 10, 20, and 30 vol%. The experiment included four formulations: R0 (without the addition of aerogel) and the recipes R1, R2, and R3, with an increasing content of this additive. The level at which moisture stabilizes in a material in contact with the environment of a given humidity and temperature depends on whether the equilibrium state is reached in the process of moisture absorption by a dry material or in the process of the drying out of a wet material. The equilibrium states achieved in these processes are described by sorption and desorption isotherms, determined at a given temperature, but at different levels of relative humidity. The SSS (saturation salt solution) method has been used for years to determine them. Unfortunately, measurements carried out using this method are difficult and highly time-consuming. For this reason, a more accurate and faster DVS (dynamic vapor sorption) method was used in this study of R0–R3 composites. The research program assumed 10 step changes in humidity in the sorption processes and 10 step changes in humidity in the desorption processes. As a result, the course of the sorption and desorption isotherms of each of the four composites was accurately reproduced, and the hysteresis scale was assessed, which was most evident in the cases of the R0 composite (made without the addition of aerogel) and R1 composite (made with the lowest aerogel content). Studies have shown that the increased addition of aerogel resulted in an increase in the amount of water absorbed. This was true for all ten relative humidity levels tested. As a result, the highest values in the entire hygroscopic range were observed in the course of the sorption isotherm determined for the R3 composite with the highest aerogel content, and the lowest values were for the sorption isotherm of the R0 composite without the addition of aerogel. Full article

Industrial textile wastewater containing both heavy metals and dyes has been massively produced. In this study, semi-interpenetrating polymer network structures of sodium alginate (SA)/polyvinyl alcohol (PVA)/κ-carrageenan (CG) aerogel beads were synthesized for their simultaneous reduction. The SA/PVA/CG aerogel beads were synthesized through a cost-effective and environmentally friendly method using naturally abundant biopolymers without toxic cross-linkers. The SA/PVA/CG aerogel beads were spheres with a size of 3.8 $\pm$ 0.1 mm, exhibiting total pore areas of 15.2 m²/g and porous structures (pore size distribution: 0.04–242.7 μm; porosity: 93.97%) with abundant hydrogen bonding, high water absorption capacity, and chemical resistance. The adsorption capacity and mechanisms of the SA/PVA/CG aerogel beads were investigated through kinetic and isotherm experiments for heavy metals (Cu(II), Pb(II)), cationic dye (methylene blue, MB), and anionic dye (acid blue 25, AB)) in both single and binary systems. The maximum adsorption capacities of the SA/PVA/CG aerogel beads based on the Langmuir model of Cu(II), Pb(II), and MB were 85.17, 265.98, and 1324.30 mg/g, respectively. Pb(II) showed higher adsorption affinity than Cu(II) based on ionic properties, such as electronegativity and hydration radius. The adsorption of Cu(II), Pb(II), and MB on the SA/PVA/CG aerogel beads was spontaneous, with heavy metals and MB exhibiting endothermic and exothermic natures, respectively. Full article

CO₂ capture by membrane gas absorption technology has been considered a promising alternative to mitigate or stabilize atmospheric CO₂ concentrations. The non-isothermal nature of the CO₂ absorption process in hollow fiber membrane contactors is a critical factor that significantly influences CO₂ removal performance. In the present study, a non-isothermal mathematical model and a two-dimensional computational simulation were carried out to evaluate the CO₂ separation by three typical absorbents in a polyvinylidene fluoride hollow fiber membrane contactor under non-wetting operation mode. The simulation results exhibited good matching with the published experimental data with the deviations in the range of lower than 5%, which validated the reliability of the developed numerical model. A significant temperature increase ranging from 2 to 15 K was observed along the length of the hollow fiber membrane contactor, which further facilitated the absorption and reaction process in this study. The results showed that potassium glycinate exhibited the highest absorption capacity, followed by monoethanolamine and 1-ethyl-3-methylimidazolium. In addition, the mass transfer could be enhanced by increasing the liquid flow rate, absorbent concentration, module length, and membrane porosity, while increasing the gas velocity and CO₂ inlet concentration were unfavorable for the CO₂ removal process. Full article

Emissions caused by polluting gases, such as carbon dioxide, are one of the main contributors to the generation of the greenhouse effect that leads to global warming, responsible for climate change. An alternative to mitigating these emissions is the use of adsorbents capable of capturing CO₂. Zeolites are considered one of the most effective adsorbents in gas adsorption and separation technologies due to their high specific area and pore size and, consequently, greater adsorption capacity when compared to other commonly used materials. Despite this, reagents used in syntheses as the source of silica often make obtaining these materials more expensive. Seeking to overcome this limitation, in this work, materials (for CO₂ capture) were developed with a zeolitic structure using a low-cost alternative source of silica from beach sand called MPI silica to make the synthesis process eco-friendly. The crystallization time of the materials was studied, obtaining an LTA zeolite with MPI silica in a period of 1 h (ZAM 1 h), with a relative crystallinity of 74.26%. The materials obtained were characterized using the techniques of X-ray diffraction (XRD), X-ray fluorescence (XRF), absorption spectroscopy in the infrared region with Fourier transform (FTIR), scanning electron microscopy (SEM), and thermal analysis. The evaluation of the experimental adsorption isotherms showed that the zeolite LTA Aerosil^®200 (standard zeolite) and MP had adsorption capacities of 5.25 mmol/g and 4.83 mmol/g of CO₂, respectively. The evaluation of mathematical models indicated that the LTA zeolites fit the Temkin model best and had the same trend, with calculated adsorption capacities of 3.97 mmol/g and 3.75 mmol/g, respectively. Full article