Search Results (204)

In this article, the mechanism of relaxation polarization currents occurring at a constant temperature (isothermal process) in crystals with ionic-molecular chemical bonds (CIMBs) in an alternating electric field was investigated. Methods of the quasi-classical kinetic theory of dielectric relaxation, based on solutions of the nonlinear system of Fokker–Planck and Poisson equations (for the blocking electrode model) and perturbation theory (by expanding into an infinite series in powers of a dimensionless small parameter) were used. Generalized nonlinear mathematical expressions for calculating the complex amplitudes of relaxation modes of the volume-charge distribution of the main charge carriers (ions, protons, water molecules, etc.) were obtained. On this basis, formulas for the current density of relaxation polarization (for transient processes in a dielectric) in the k-th approximation of perturbation theory were constructed. The isothermal polarization currents are investigated in detail in the first four approximations (k = 1, 2, 3, 4) of perturbation theory. These expressions will be applied in the future to compare the results of theory and experiment, in analytical studies of the kinetics of isothermal ion-relaxation (in crystals with hydrogen bonds (HBC), proton-relaxation) polarization and in calculating the parameters of relaxers (molecular characteristics of charge carriers and crystal lattice parameters) in a wide range of field parameters (0.1–1000 MV/m) and temperatures (1–1550 K). Asymptotic (far from transient processes) recurrent formulas are constructed for complex amplitudes of relaxation modes and for the polarization current density in an arbitrary approximation k of perturbation theory with a multiplicity r by the polarizing field (a multiple of the fundamental frequency of the field). The high degree of reliability of the theoretical results obtained is justified by the complete agreement of the equations of the mathematical model for transient and stationary processes in the system with a harmonic external disturbance. This work is of a theoretical nature and is focused on the construction and analysis of nonlinear properties of a physical and mathematical model of isothermal ion-relaxation polarization in CIMB crystals under various parameters of electrical and temperature effects. The theoretical foundations for research (construction of equations and working formulas, algorithms, and computer programs for numerical calculations) of nonlinear kinetic phenomena during thermally stimulated relaxation polarization have been laid. This allows, with a higher degree of resolution of measuring instruments, to reveal the physical mechanisms of dielectric relaxation and conductivity and to calculate the parameters of a wide class of relaxators in dielectrics in a wide experimental temperature range (25–550 K). Full article

Mine effluents represent a serious environmental problem on a global scale. Therefore, the effective treatment of this water is a serious issue in the scientific field. The adsorption process seems to be one of the attractive methods, especially due to the simplicity of design, affordability or high efficiency. The latest scientific knowledge has shown that the use of waste and natural adsorbents is economical and effective. This study aimed to evaluate the efficiency of the adsorption process of natural and waste materials—zeolite, bentonite and fly ash—under the influence of temperature and modification of these adsorbents. The novelty of this study resides in an adjustment of the modification method of adsorbents compared to previous research: thermal–alkaline treatment versus hydrothermal one. Another novelty is the use of modified fly ash from biomass combustion as an adsorbent in comparison with the previously used fly ash from coal combustion. The modification of the adsorbents made the adsorption process more effective at all experimental concentrations. The characterisation of adsorbent samples was performed using X-ray diffraction (XRD). The parameters of the adsorption isotherms, Langmuir, Freundlich and Temkin, were estimated by nonlinear regression analysis. The adsorption capacity of Cu (II) of fly ash was comparable to natural adsorbents. Adsorption processes were better described by pseudo-second-order kinetics. At the end of this study, the suitability of using the adsorbents to reduce the concentration of Cu (II) in neutral mine effluents was observed in the following order at 30 °C: unmodified fly ash > modified bentonite > unmodified zeolite. At the temperatures of 20 °C and 10 °C, the same trend of the suitability of adsorbents use was confirmed: modified bentonite > modified zeolite > modified fly ash. The practical applicability of this study lies in the expansion of knowledge in the field of adsorption processes and in the improvement of waste management efficiency of heating plants not only in Slovakia, but also globally. Full article

In the present article, we study a nonlinear mathematical model for the steady-state non-isothermal flow of a dilute solution of flexible polymer chains between two infinite horizontal plates. Both plates are assumed to be at rest and impermeable, while the flow is driven by a constant pressure gradient. The fluid rheology model used is FENE-P type. The flow energy dissipation (mechanical-to-thermal energy conversion) is taken into account by using the Rayleigh function in the heat transfer equation. On the channel walls, we use one-parameter Navier’s conditions, which include a wide class of flow regimes at solid boundaries: from no-slip to perfect slip. Moreover, we consider the case of threshold-type slip boundary conditions, which state the slipping occurs only when the magnitude of the shear stresses overcomes a certain threshold value. Closed-form exact solutions to the corresponding boundary value problems are obtained. These solutions represent explicit formulas for the calculation of the velocity field, the temperature distribution, the pressure, the extra stresses, and the configuration tensor. The results of the work favor better understanding and more accurate description of complex dynamics and energy transfer processes in FENE-P fluid flows. Full article

Predicting oil film thickness at ball–raceway contacts under elastohydrodynamic lubrication (EHL) conditions remains a complex tribological challenge. This complexity arises from dynamic variations in contact load, rotational speed, hydrodynamic effects, and the nonlinear load–deformation characteristics of the contacting surfaces. This study presents a numerical investigation of oil film thickness variations corresponding lubricant properties in rolling bearings using a 5-degree-of-freedom (5-DoF) shaft–bearing model. The model incorporates isothermal EHL and a rigid shaft supported by a pair of angular contact ball bearings. The governing nonlinear equations of motion are solved iteratively via a quasi-static approach, coupling oil film thickness and contact force calculations. Results indicate that oil film thickness increases proportionally with both lubricant viscosity and shaft speed. A twofold increase in shaft speed results in approximately 57% enhancement in film thickness. Similarly, increasing viscosity elevates film thickness proportionally, while the pressure–viscosity coefficient significantly enhances film formation. Notably, the outer raceway exhibits a 13% thicker film than the inner raceway, owing to its higher surface conformity. Furthermore, low-speed operation under heavy loads induces mixed lubrication regimes, compromising film integrity. Results provides insight for lubricant selection and bearing design to mitigate starvation in industrial applications. Full article

Accurate prediction of soil phosphorus (P) adsorption capacity is essential for efficient fertilizer management and environmental protection. Traditional isotherm models, such as the Langmuir equation, have been widely used to quantify P sorption, but they do not adequately capture the nonlinear and multivariate nature of soil systems. This study evaluates the performance of a multi-output XGBoost regression model trained on laboratory-measured P adsorption data from 147 soils, representing a wide range of textures, pH levels, and CaCO₃ contents. The model was developed to simultaneously predict P adsorption at five different equilibrium concentrations (1, 2, 4, 6, and 10 mg/L). SHAP analysis and causal discovery via DirectLiNGAM revealed that initial Olsen P concentration and sand content are the primary factors reducing P adsorption. The multi-output XGBoost model was compared against classical Langmuir isotherms using an extended dataset of 10,389 soil samples. The extended dataset was binned into four groups based on Olsen P concentrations and four groups based on sand content. This binning was based on the identification of these variables as highly influential by the XGBoost model, and on their demonstrated causal relationship with soil P sorption capacity through causal inference analysis. The XGBoost model outperformed the Langmuir model in capturing the effect of Olsen P and sand content, as it predicted a 12.6% drop in P adsorption in the very high Olsen P group and a 19.2% drop in the very high sand content groups, which are substantially higher than the reductions estimated by Langmuir isotherms. These results demonstrate that machine learning models, trained on well-designed experimental data, offer a superior alternative to classical isotherms for modeling P sorption dynamics. Full article

The global scarcity of freshwater, driven by population growth and the unequal distribution of water resources, has intensified the need for alternative water supply technologies. Among the most promising solutions, adsorption-based atmospheric water harvesting (AWH) systems offer the ability to extract water vapor directly from ambient air, even under low-humidity conditions. This review presents a comprehensive overview of the thermodynamic principles and material characteristics governing these systems, with particular emphasis on adsorption isotherms and their role in predicting and optimizing system performance. A generalized theoretical framework is proposed to assess the energy efficiency of thermally driven AWH devices, based on key material parameters. Recent developments in sorbent materials, especially metal–organic frameworks (MOFs) and advanced zeolites, are examined for their high-water uptake, regeneration efficiency, and potential for operation under real climatic conditions. The Dubinin–Astakhov and modified Langmuir isotherm models are reviewed for their effectiveness in describing nonlinear sorption behaviors critical to performance modeling. In addition, component-level design strategies for adsorption-based AWH systems are discussed. The integration of solar energy is also discussed, highlighting recent prototypes and design strategies that have achieved water yields ranging from 0.1 to 2.5 L m⁻²/day and specific productivities up to 2.8 L kg⁻¹ using MOF-801 at 20% RH. Despite notable progress, challenges remain, including limited productivity in non-optimized setups, thermal losses, long-term material stability, and scalability. This review concludes by identifying future directions for material development, system integration, and modeling approaches to advance the practical deployment of efficient and scalable AWH technologies. Full article

The sorption process is most commonly described by Langmuir isotherms, which can be calculated from either a non-linear form or various linear forms. Despite the fact that the non-linear model is now preferred, articles using linear models continue to be submitted to journals. On the basis of 68 isotherms, it was found that the linear Hanes–Woolf model (the most commonly used) gives the most similar q_m and K_L values to the non-linear model. The largest differences were obtained by determining the isotherm from the non-linear and linear forms of the Lineweaver–Burk model (this is the model often used by researchers). The evaluation of isotherms should not be performed solely on the basis of the coefficient of determination R², which was intended for linear equations. Statistical measures such as the mean relative error, sum of squares of errors, chi-square statistic, sum of absolute errors, hybrid fractional error function, mean squared error were analysed. On the basis of the coefficient of determination, the Hanes–Woolf linear model was found to best describe the actual results, and on the basis of the other statistical measures, the isotherm determined from the non-linear form was found to be the best fit for the study. Full article

Cylindrical roller bearings are widely used in industrial machinery, automotive systems, and aerospace applications, where their reliability directly affects the performance and safety of mechanical systems. The fatigue life of cylindrical roller bearings is significantly affected by their elastohydrodynamic lubrication condition, with variations potentially reaching multiple times. However, conventional quasi-static models often neglect lubrication effects. This study establishes a quasi-static analysis model for cylindrical roller bearings that incorporates the effects of elastohydrodynamic lubrication by integrating elastohydrodynamic lubrication theory with the Lundberg–Palmgren life model. The isothermal line contact elastohydrodynamic lubrication equations are solved using the multigrid method, and the contact load distribution is determined through nonlinear iterative techniques to calculate bearing fatigue life. Taking the N324 support bearing on the main shaft of an SFW250-8/850 horizontal hydro-generator as an example, the influences of radial load, inner race speed, and lubricant viscosity on fatigue life are comparatively analyzed. Experimental validation is conducted under both light-load and heavy-load operating conditions. The results demonstrate that elastohydrodynamic lubrication markedly increases contact loads, leading to a reduced predicted fatigue life compared with that of the De Mul model (which ignores lubrication). The proposed lubrication-integrated model achieves an average deviation of 5.3% from the experimental data, representing a 16.1% improvement in prediction accuracy over the De Mul model. Additionally, increased rotational speed and lubricant viscosity accelerate fatigue life degradation. Full article

In this study, natural kaolin was modified with hexadecyltrimethylammonium bromide (HDTMA-Br) at two levels corresponding to 50% and 90% of its cation exchange capacity. The resulting materials, designated as HKR-50 and HKR-90, were used as adsorbents for the mycotoxins ochratoxin A (OCHRA) and zearalenone (ZEN). The characterization of the HKRs with several methods (X-ray diffraction, DRIFT spectroscopy, thermal analysis (DTA/TG), SEM, zeta potential measurements, and the determination of the point of zero charge and textural properties) confirmed the presence of surfactant ions on the organokaolinites’ surfaces. The adsorption of ZEN and OCHRA by HKRs followed nonlinear adsorption isotherms, suggesting a complex adsorption mechanism. The adsorption capacities of ZEN and OCHRA were similar for HKR-50 and HKR-90 at pH 3, with higher adsorption observed for ZEN (~13.0 mg/g for HKR-50 and HKR-90 for ZEN and ~8.0 mg/g for HKR-50 and HKR-90 for OCHRA). At pH 7, the adsorption of ZEN and OCHRA was lower than at pH 3, especially for OCHRA, but slightly increased with increased amounts of surfactant on the kaolinite surface (8.5 mg/g for HKR-50 and 10.8 mg/g for HKR-90 for ZEN and 2.6 mg/g for HKR-50 and 4.1 mg/g for HKR-90 for OCHRA). Special attention was paid to the safety assessment of the natural kaolin and HKR-90, and toxicological tests confirmed the safety of both materials, as no adverse effects were observed in rats. Full article

Background/Objectives: Mesoporous silica materials, particularly KIT-6, offer promising features, such as large surface area, tunable pore structures, and biocompatibility, making them ideal candidates for advanced drug delivery systems. The aims of this study were to develop and evaluate an innovative modified-release platform for metformin hydrochloride (MTF), using KIT-6 mesoporous silica as a matrix, to enhance oral antidiabetic therapy. Methods: KIT-6 was synthesized using an ultrasound-assisted sol-gel method and subsequently loaded with MTF via adsorption from alkaline aqueous solutions at two concentrations (1 and 3 mg/mL). The structural and morphological characteristics of the matrices—before and after drug loading—were assessed using SEM-EDX, TEM, and nitrogen adsorption–desorption isotherms (the BET method). In vitro drug release profiles were recorded in simulated gastric and intestinal fluids over 12 h. Kinetic modeling was performed using seven classical models, and a multifractal theoretical framework was used to further interpret the complex release behavior. Results: The loading efficiency increased with increasing drug concentration but nonlinearly, reaching 56.43 mg/g for 1 mg/mL and 131.69 mg/g for 3 mg/mL. BET analysis confirmed significant reductions in the surface area and pore volume upon MTF incorporation. In vitro dissolution showed a biphasic release: a fast initial phase in an acidic medium followed by sustained release at a neutral pH. The Korsmeyer–Peppas and Weibull models best described the release profiles, indicating a predominantly diffusion-controlled mechanism. The multifractal model supported the experimental findings, capturing nonlinear dynamics, memory effects, and soliton-like transport behavior across resolution scales. Conclusions: The study confirms the potential of KIT-6 as a reliable and efficient carrier for the modified oral delivery of metformin. The combination of experimental and multifractal modeling provides a deeper understanding of drug release mechanisms in mesoporous systems and offers a predictive tool for future drug delivery design. This integrated approach can be extended to other active pharmaceutical ingredients with complex release requirements. Full article

The incorporation of advanced smart materials, such as shape memory alloys (SMAs), in civil engineering presents significant challenges, particularly in modeling their complex behavior. Traditional numerical SMA models often require material parameters that are difficult to estimate and validate. The objective of this paper is to introduce an equation-based approach to modeling the superelastic behavior of SMAs based on rheological models. The proposed phenomenological model accurately captures SMA superelasticity under isothermal conditions, with each material parameter directly correlated to data from standard mechanical experiments. Four modifications to the baseline rheological model are proposed, highlighting their impact on superelastic characteristics. The resulting constitutive relationships are expressed as non-linear ordinary differential equations, making them compatible with commercial finite element method (FEM) software through user-defined subroutines. The practical application of this modeling approach is demonstrated through the strengthening of a historical masonry wall subjected to seismic activity. Comparative analysis shows that ties incorporating SMA segments outperform traditional steel ties by reducing the potential damage and enhancing the structural performance. Additionally, the energy dissipation during the SMA phase transformation improves the damping of vibrations, further contributing to the stability of the structure. This study underscores the potential of SMA-based solutions in seismic retrofitting and highlights the advantages of equation-based modeling for practical engineering applications. Full article

Waste and chemicals generated from industry have been a major source of pollution and a prominent threat to human health via the food chain; hence, an efficient and durable material that can be used to detoxify polluted soil and water bodies is necessary to attain ecosystem equity and security. This study hypothesized that biochar (BC) made from poultry manure (PM) through pyrolysis and fortification with iron (Fe–BC) can be used to remove methyl orange dye from aqueous solution. Furthermore, this study evaluated the effect of solution pH on the sorption of methyl orange through batch sorption studies. The similarity in the modeled data and experimental data was measured by the standard error of estimate, whereas sorption isotherms were examined using nonlinear forms of different sorption equations. With the use of Langmuir models, a maximum sorption capacity of 136.25 mg·g⁻¹ and 98.23 mg·g⁻¹ was recorded for Fe–BC and BC, respectively. Fe–BC possessed a higher adsorption ability in comparison to BC. The pseudo-second-order best described the sorption kinetics of both adsorbents at R² = 0.9973 and 0.9999, indicating a strong interaction between MO and Fe–BC. Furthermore, the efficiency with which MO was removed by the absorbent was highest at lower pH (pH = 4). It is therefore concluded that Fe–BC can be used as an effective and environmentally friendly material for detoxification of wastewater; however, further research on the application and usage of biochar modified techniques for enhancing adsorption efficacy on a large scale should be encouraged. Full article

The present study aims to prepare a composite via pyrolysis, based on sodium alginate (SA) and a natural clay collected from the eastern region of Morocco, specifically the OUJDA area (C.O.R), for use in the disposal process of emerging pharmaceuticals. The strategy of rapid microwave heating followed by nitrogen calcination at 500 °C was successfully applied to produce the pyrolyzed carbonaceous materials. The removal of paracetamol (PCT) by adsorption on the carbonaceous clay (ca-C.O.R) composite was investigated to determine the effect of operating parameters (initial contaminant concentration, contact time, pH, and temperature) on the efficiency of PCT removal. The nanocomposite was analyzed using various techniques, including the nitrogen gas adsorption–desorption isothermal curve, X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. Three models were used to describe the kinetic adsorption, and it was found that the experimental kinetic data fit well with a pseudo-second-order kinetic model with a coefficient of determination R² close to one, a nonlinear chi-square value close to zero, and a reduced root mean square error RMSE (R² → 1, X² → 0 and lower RMSE). The adsorption was best described by the Sips isotherm. The ca-C.O.R composite achieved a PCT removal efficiency of 91% and a maximum adsorption capacity of 122 mg·g⁻¹ improving on the performance of previous work. Furthermore, the variation in enthalpy (∆H°), Gibbs free energy (∆G°), and entropy (∆S°) indicated that the adsorption is exothermic in nature. The composite has shown promising efficiency for the adsorption of PCT as a model of emergent pollutant from aqueous solutions, making it a viable option for industrial wastewater treatment. Using Density Functional Theory (DFT) along with the 6-31G (d) basis set, the geometric structure of the molecule was determined, and the properties were estimated by analyzing its boundary molecular orbitals. The adsorption energy of PCT on MMT and ca-C.O.R studied using the Monte Carlo (MC) simulation method was −120.3 and −292.5 (kcal·mol⁻¹), respectively, which shows the potential of the two adsorbents for the emerging product. Full article

This study investigates the potential of biochar derived from agricultural residues—corn cob and wheat straw—for removing polycyclic aromatic hydrocarbons (PAHs) from aqueous systems. Biochars were produced via pyrolysis at 700 °C and characterized using BET, SEM, EDS, FTIR, and pXRD to evaluate physicochemical properties. Adsorption experiments with naphthalene, fluorene, fluoranthene, and pyrene revealed high adsorption affinities (Log Kd = 4.35–5.69 L/kg), with Freundlich isotherm modeling indicating nonlinear behavior (n = 0.732–0.923), suggesting a combination of pore filling and chemical interactions such as π-π stacking and hydrogen bonding. Corn-cob biochar, rich in lignin, exhibited a higher surface area (111 m²/g) and greater affinity for fluorene, while wheat-straw biochar, with a higher oxygen content and more functional groups, performed better for naphthalene and pyrene. FTIR and pXRD confirmed aromatic and graphitic structures facilitating PAH interactions. These results underscore the importance of feedstock selection and pyrolysis conditions in tailoring biochar properties for specific pollutants. While both biochars compare favorably with conventional adsorbents like activated carbon, further research on long-term stability in complex matrices is needed. Overall, the findings support the development of cost-effective, scalable, and eco-friendly biochar-based technologies for water remediation. Full article

Cupressus funebris forests grow relatively fast and have a strong natural regeneration ability, showing great potential in carbon sequestration. Global warming has already had a significant impact on its distribution pattern. This study used the Maximum Entropy Model (MaxEnt) and the distribution data of Cupressus funebris communities to explore the contraction and expansion of the adaptive distribution of Cupressus funebris. The research results are as follows: The contemporary adaptive distribution area of Cupressus funebris is mainly located in the southern region of China, and the area of the adaptive distribution accounts for approximately 7.15% of the total land area. The main driving variables affecting the distribution of Cupressus funebris are annual precipitation, the minimum temperature of the coldest month, isothermality, temperature seasonality, carbonate content, and altitude. Among them, climate plays a dominant role in the distribution of this community. Under different carbon emission scenarios in the future, the adaptive distribution areas show an expansion trend, but most of the highly adaptive areas are shrinking and the changes are relatively significant. In the high emission pathway, the distribution area continues to expand in the north while gradually contracting in the southern regions. The community distribution shows a trend of migrating to higher latitudes and altitudes in northern regions, and there are significant non-linear characteristics in altitude migration under the scenario of intensified carbon emissions. This study provides theoretical guidance for the protection and management of Cupressus funebris forests and helps to improve the carbon sequestration capacity of the communities in the context of carbon neutrality. Full article