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Synthesis of a magnetite nanoadsorbent was reported in the study. In this regard, poly(amidoamine) (PAMAM) dendrimer (with generation 10)-functionalized Fe3O4@SiO2/APTES ((3-aminopropyl) triethoxysilane) was prepared, modified by benzaldehyde (BZ), and characterized by fourier-transfer-infrared (FTIR), vibrating-sample-magnetometer (VSM), field-emission-scanning-electron-microscope (FE-SEM), X-Ray-diffraction (XRD), thermal-gravimetric-analysis (TGA), and elemental analysis. The nanoadsorbent with VSM value of 35.3 emu/g was used to investigate adsorption of Pb(II) ions from aqueous solutions and this process relied on the solution pH, lead concentration, nanoadsorbent dose, contact time, and temperature. The results revealed the maximum adsorption efficiency of 97.56% in pH = 6, initial lead concentration = 160 mg L−1, adsorbent dose of 15 mg, contact time = 60 min, and temperature = 45 °C. The adsorption isotherm and kinetic models of Pb(II) removal followed the Freundlich model and pseudo-second-order, respectively. The adsorption was endothermic and spontaneous, which was exhibited by the thermodynamic parameters. This research suggests that the nanoadsorbent can be considered for the other metal ions removal from wastewater treatment. [ABSTRACT FROM AUTHOR]

The potential of untreated biosorbent prepared from Geranium plant waste for the adsorption of methylene blue from aqueous solution has been investigated. The effects of various experimental parameters such as biosorbent dose, contact time, concentration of dye, pH and temperature have been studied. The maximum adsorption is found at the time of 120 min and pH 7. Sorption increases with increasing temperature. Langmuir, Freundlich, Temkin and Jovanovic adsorption isotherm have been studied. R² value suggested better fitment of Freundlich adsorption isotherm. Adsorption of MB followed pseudo second order kinetics with R² value 0.9932. The calculated values of ΔH°, ΔS° and ΔG° are found to be 20.75 kJ/mol, 0.078 kJ/mol/K and -0.04682 kJ/mol, respectively. Adsorption processed with physical interaction, it is spontaneous and endothermic in nature. Application to real wastewater, regeneration of biosorbent, cost analysis and disposal of biosorbent have also been discussed. It is found that the prepared GPW biosorbent is stable and may be utilized repeatedly without losing its affinity up to five cycles. GPW is tested against commercial activated carbon (CAC) and it showed adsorption efficiency of 88% compared to 93% of CAC. [ABSTRACT FROM AUTHOR]

This research explores the feasibility of using date seeds (DS), an agricultural waste, for the adsorption of malachite green (MG) dye from synthesized wastewater. The characterization of the DS before and after adsorption was accomplished by FTIR, SEM, BET, and EDX measurements. Batch adsorption experiments were investigated for MG dye adsorption from aqueous solution onto the DS. The effect of different parameters such as solution pH, adsorbent dose, contact time, temperature, and the initial dye concentration were studied. The optimum pH, adsorbent dose, temperature, and contact time for the dye removal were found to be 5, 0.1 g, 25 °C, and 30 min, respectively. The equilibrium studies for the data with Langmuir, Freundlich, and Temkin isotherms showed that Freundlich isotherm is the best model to describe the adsorption of MG onto the DS particles which has a heterogeneous surface. It was found that the adsorption process follows a pseudo-second-order kinetic model which revealed that the intra-particle diffusion stage is the rate-controlling stage for the process. The thermodynamic parameters ΔG, ΔS, and ΔH suggest the possibility of chemisorption and physisorption simultaneously and indicate the exothermic and spontaneous characters of the adsorption of MG dye on DS with negative values of ΔH and ΔG. This study used agriculture waste (date seeds) which is proved to be an environmentally friendly and low-cost adsorbent. The date seeds were shown to be a promising adsorbent, demonstrating high surface area and well-developed porosity. The prepared adsorbent will have a great impact on wastewater treatment technology and possible applications at a large scale. Thus, widespread and great progress in this area can be expected in the future. [ABSTRACT FROM AUTHOR]

This study examines the thermodynamic and numerical analyses of a methane-fed solid oxide fuel cell (SOFC) over a temperature range varying between 873 K and 1273 K. These analyses were conducted to investigate and compare the performance of the SOFC under various operating conditions in detail. As part of the thermodynamic analysis, important parameters such as cell voltage, power density, exergy destruction, entropy generation, thermal efficiency, and exergy efficiency were calculated. These calculations were used to conduct energy and exergy analyses of the cell. According to the findings, an increase in operating temperature led to a significant improvement in performance. At the initial conditions where the SOFC operated at a temperature of 1073 K and a current density of 9000 A/m2, it was observed that when the temperature increased by 200 K while keeping the current density constant, the power density increased by a factor of 1.90 compared to the initial state, and the thermal efficiency increased by a factor of 1.45. Under a constant current density, the voltage and power density values were 1.0081 V, 1.0543 V, 2337.13 W/m2, and 2554.72 W/m2 at operating temperatures of 1073 K and 1273 K, respectively. Under a current density of 4500 A/m2, the entropy generation in the cell was determined to be 29.48 kW/K at 973 K and 23.68 kW/K at 1173 K operating temperatures. The maximum exergy efficiency of the SOFC was calculated to be 41.67% at a working temperature of 1273 K and a current density of 1500 A/m2. This study is anticipated to be highly significant, as it examines the impact of temperature variation on exergy analysis in SOFC, validating both numerical and theoretical results, thus providing a crucial roadmap for determining optimized operating conditions. [ABSTRACT FROM AUTHOR]

• A mathematical model for the lyophilization process is capable of addressing the heterogeneity of thermal characteristics of different vial suppliers, according to the design space concept. • The critical parameters for the primary drying stage, as predicted by the model, were experimentally tested using sucrose and sodium chloride solutions rendering lyophilized products of homogenous quality independently of the suppliers and the position of the vials on the lyophilizer shelf. Primary drying is the most critical stage of the freeze-drying process. This work aimed to establish a design space for this process by means of mathematical modeling of the primary drying stage, capable of addressing the thermal characteristics of distinct vial suppliers. Modeling of primary drying was implemented on Microsoft Excel using steady-state heat and mass transfer equations at two extreme conditions as assessed by risk analysis, to predict product temperature and primary-drying time. The heat transfer coefficients (K v) of four different vial suppliers were experimentally determined, both, at the center and edge of the freeze-dryer's shelf. Statistically significant differences (ANOVA p <0.05) were observed between suppliers throughout the assessed pressure range. Overall, the average K ve /K vc (edge/center) ratio was higher than 1.6 for all suppliers due to the radiation effect. A design space for the drying process was established using mathematical modeling taking into account the K v of the worst-case supplier, in the shelf edge. A primary drying cycle was carried out at a shelf temperature of -25 °C and a chamber pressure of 45 mTorr for 8 % sucrose and at -10 °C and 75 mTorr for 5 % NaCl. Freeze-dried products with good cosmetic appearance were obtained for the four vial suppliers both, in the shelf center and edge. The results show that it is possible to predict and establish the critical parameters for the primary drying stage, under a design space concept, considering the differences in the K v of vial suppliers without adverse consequences on the quality of the finished freeze-dried product. [ABSTRACT FROM AUTHOR]

There is an increasing demand for materials capable of withstanding ever-higher temperatures. However, because the difficulties associated with carrying out experimental investigations at very high temperatures are significant, the published information relating to the phase stability of potential refractory materials is, in many instances, still lacking. The work described in this paper attempts to rectify this deficit through the on-going development of a thermodynamic database for high-temperature materials based on carbides, nitrides, borides, and silicides. Because of technological requirements of high-temperature stability and strength, combined with lightness, these are the materials that come into question most frequently for high-temperature applications. In developing the present database, and to ensure reliability of its use, emphasis has been placed on the need to maintain the compatibility of data and modeling when assessing experimental data and estimating missing values. The methods used to achieve compatibility of published information are described and calculations of phase equilibria relevant to the industrial application of various refractory materials are presented. The similarity to, and the importance of the scientific background and published work of Ted Massalski for the work of the present author is stressed. [ABSTRACT FROM AUTHOR]

Perlite is an example of clayey type geologic mineral. Perlite is a cheap and abundant adsorbent and it can be used for versatile applications in food, pharmacy and chemistry industries. Perlite was chosen for the removal of penta chloro nitrobenzene (PCNB) pesticide. This pesticide is used for the control of fungi species in farming commonly. Adsorbent surface area and pore volumes were determined as 288.15 m2/g and 78.24 cm3/g (BET method). The characteristics of the adsorbent were furnished by evaluating the SEM and FTIR images. The adsorption equilibrium was reached in 80 min. Initial adsorbate concentration and pH of the medium were also investigated from this point of view. The experimental data were evaluated with proper isotherm models such as Langmuir, Freundlich and Halsey. Langmuir and Freundlich isotherms give the best results. Monolayer capacity was found as 238.095 mg/g. The kinetic mechanisms of the phenomon was analyzed by employing the pseudo first and second order models. Pseudo first order kinetic results were better than the second one with the higher regression coefficients and close experimental and calculated uptake values. Those values were found as 0.615 and 0.6587 mg/g for 1 μg/mL aqueous pesticide solution. Activation energy was found approximately 5094 J/mol which was shown a physisorption mechanism of the adsorption. Activation energy is also employed for interpreting the sticking probability factor. The thermodynamic of adsorption were also evaluated and found as −2.385 J/g at the room temperature. The negative Gibbs energy shows the feasibility and spontaneous nature of PCNB removal on perlite. [ABSTRACT FROM AUTHOR]

Arsenic (As) contamination of surface water has become a global concern, especially for the third world countries, and it is imperative to develop advanced materials and an effective treatment method to address the issue. In this paper, iron doped ZIF-8@MXene (Fe-ZIF-8@MXene) was prepared as a potential adsorbent to effectively and simultaneously remove As(III/V) from wastewater. To investigate this, Fe-ZIF-8@MXene was characterized before and after the removal of mixed As(III/V). The results of Fourier transform infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), specific surface area (BET) and point of zero charge (pHpzc) showed that Fe-ZIF-8@MXene was prepared successfully and kept a stable structure after As(III) and As(V) adsorption. The particle size of Fe-ZIF-8@MXene was in the range of 0.5 μm to 2.5 μm, where its BET was 531.7 m2/g. For both contaminants, adsorption was found to follow pseudo-second-order kinetics and was best-fitted by the Langmuir adsorption model with correlation coefficients (R2) of 0.998 and 0.997, for As(III) and As(V), respectively. The adsorbent was then applied to remove As from two actual water samples, giving maximum removal rates of 91.07% and 98.96% for As(III) and As(V), respectively. Finally, removal mechanisms for As(III/V) by Fe-ZIF-8@MXene were also explored. During the adsorption, multiple complexes were formed under the effect of its abundant surface functional groups involving multiple mechanisms, which included Van der Waals force, surface adsorption, chemical complexation and electrostatic interactions. In conclusion, this study demonstrated that Fe-ZIF-8@MXene was an advanced and reusable material for simultaneous removal of As(III/V) in wastewater. [ABSTRACT FROM AUTHOR]

In the current work, the thermodynamic properties of equiatomic and non-equiatomic Ni-Ti were estimated using Factsage Software for the “self-propagating high temperature synthesis (SHS) method. To calculate behind the pure substance model, the sublattice model was used. For the various ratios of the nickel in the B2 ordered phase and second intermetallics, the values of adiabatic temperature, Cp, Gibbs free energy, enthalpy of formation, products, and liquid-solid ratio were computed (Ni3Ti, Ti2Ni). These proporties play a crucial role in understanding the nature of propagating behavior since they affect the final product’s micro/macrostructure, mechanical characteristics, and stable or metastable phases. The results were compared with the literature. It was also discussed why the existing studies could not reach the theoretical adiabatic temperature and the effect of the ignition W wire on the sample was investigated with the experimental study.

This work reports on CaMgAl-layered double hydroxide (LDH) based red mud (RM) composite prepared via a co-precipitation method, characterized by transmission electron microscopy (TEM), powder X-ray diffraction patterns (XRD), field-emission scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), Brunauer-Emmett-Teller analysis (BET), and Fourier transform infrared spectra (FTIR) and subsequently used for elimination of ciprofloxacin (CIP) from an aqueous solution in batch mode experiments. Langmuir isotherm model provided a better fit of CIP adsorption onto CaMgAl/RM composites than a Freundlich isotherm model; indicating a monolayer adsorption phenomena. Pseudo-second-order kinetic models describe the kinetics of adsorption while the adsorption mechanisms were controlled by external mass transfer and intra-particle diffusion. Thermodynamic analysis indicated that the CIP adsorption onto CaMgAl-LDH/RM was exothermic and spontaneous in nature. The prepared adsorbent exhibited superior affinity towards CIP adsorption which yielded a maximum CIP adsorption capacity of up to 138 mg/g. The higher removal efficiency (89.45 %) was reached under the best conditions (pH 7, agitation speed 150 rpm, adsorbent dosage 0.5 g/100 ml, concentration of contaminant 70 ppm, and 90 min contact time). Moreover, the synthesized adsorbent can be recovered after six consecutive regeneration cycles with a minimal reduction in the adsorption ability of 31 %. In conclusion, this study demonstrated that the CaMgAl-LDH/RM composite could be a promising adsorbent for removing antibiotics from wastewater.

Methyl violet 6B (MV6B), found in wastewater, poses hazardous effects to aquatic ecosystems and human health; therefore, it must be removed immediately. In response, this study pioneered the development of a dye adsorbent by incorporating phenolated alkali lignin (PAL) into magnetite (Fe3O4), offering a solution for MV6B removal. Lignin was extracted from coconut husk through alkali extraction, chemically modified using phenolation, and integrated onto the magnetite surface. SEM and FTIR spectroscopy were used to characterize the adsorbent, and various parameters were optimized, along with evaluations of the adsorption kinetics and isotherm models, as well as the adsorbent’s reusability. PAL was successfully deposited onto the magnetite based on the characterization. The experimental results revealed that the optimal conditions for the removal of MV6B using PAL/Fe3O4 composite are pH 4, a temperature of 313 K, a dosage of 0.10 g PAL/Fe3O4 per 15 mL of MV6B, and a contact time of 150 minutes. MV6B’s equilibrium removal rate was 95.1%, with an adsorption capacity at equilibrium of 6.42 mg/g. The adsorption of MV6B followed a pseudo-second-order kinetic model and the Freundlich model isotherm. A thermodynamic study showed that the adsorption process was spontaneous and exothermic. PAL/Fe3O4 was highly reusable after three cycles without the need for desorption. Hence, this study has demonstrated that the PAL/ Fe3O4 adsorbent is practical, economical, and efficient for wastewater treatment.

Abstract The challenge of corrosion posed as a result of acidic sittings is considered as a major industrial concern, wherein ionic liquids serve as crucial in addressing the corrosive impacts on metals. In this study, five selected cyclic ammonium based ionic liquids were synthesized; IL-1MPyrBr, IL-1MPipBr, IL-2PyBr, IL-3MPyBr and IL-4MPyBr and their chemical structures were characterized using a variety of spectroscopic techniques (FT-IR, IH-NMR, 13C-NMR, Elemental analysis and thermal gravimetric analysis (TGA). Their corrosion inhibition efficiency was studied on carbon steel in 1 M HCl via different concentrations at 298 K using chemical and electrochemical parameters (PDP and EIS). DFT quantum parameters were computed, and the noted results were in complete compatible with the experimental. The synthesized ILs recorded excellent inhibition on the carbon steel corrosion in acidic media with increasing efficiency by increasing the inhibitor concentrations from 20 to 100 ppm. Different cations in the synthesized ILs affect the anti-corrosion effect and IL-3MPyBr showed the highest inhibition (ηR); 96.12% using the lowest concentration. Kinetic and thermodynamic considerations were studied and illustrated.

Nano-zirconium carbide precursor was prepared by hydrothermal method. Nanometer zirconium carbide powder was prepared by carbothermal reduction reaction. The Gibbs free energy and enthalpy change of carbothermic reduction of zirconia were calculated by thermodynamic method. The reaction temperature and reaction mechanism of nanometer zirconia were calculated. The energy and phase changes during the reaction were studied by thermogravimetry and X-ray diffraction. Microstructure observation showed that the precursor was composed of multiple zirconia structures wrapped by a layer of amorphous carbon. This unique structure effectively prevents the agglomeration of the powder and ensures the dispersion of the prepared zirconia. This structure also ensures the dispersion of zirconium carbide powder. Zirconium carbide powder has uniform size and particle size of about 50 nm. Gibbs free energy calculation results show that when the temperature reaches 1656.56 °C, zirconia reacts with C to form CO and ZrC. As the temperature rises, ZrO2 reacts with CO to form CO2 and ZrC. The results of TG-DSC experiments show that the carbothermal reduction reaction starts at about 1100 °C and reaches its peak at 1418 °C. XRD analysis confirmed that ZrC appeared when the temperature reached 1450 °C, and the transformation was basically complete when the temperature exceeded 1600 °C.

Purposes The Young’s moduli of nanomaterials are completely different from these of their bulk counterparts, and the size effect on Young’s modulus is greatly obvious. Moreover, the change trend of Young’s modulus with size is complicate. With size dropping, the Young’s moduli of some metallic nanomaterials increase, while they decrease for some semiconductor nanomaterials. However, the reason why size effect on the Young’s modulus of nanomaterials varies, is still unclear. Methods In this study, on the basis of the thermodynamic theory and cohesive energy of nanomaterials, a theoretical model for the size-dependent Young’s modulus of nanomaterials is deduced. In this model, the inherent relationship between atomic potential and the Young’s modulus is taken into account, and material coefficient that directly reflects the bond nature in a material is introduced. The established model can well explain the change trend of Young’s modulus with size for metallic and nonmetallic materials, and also discover the contributions of surface modulus and interior modulus for the Young’s modulus in a nanomaterial. Simultaneously, the physical mechanism of relationship of Young’s modulus with size or atomic bond is explained. Conclusions The predictions for the Young’s moduli of zero-dimensional nanoparticles, one-dimensional nanowires, and two-dimensional nanofilms are obtained by analyzing the established theoretical model in this study.

Geranyl acetate, a significant natural fragrance compound, is typically available only in minute quantities from plant sources. This study focuses on the biosynthesis of this compound through enzymatic esterification of geraniol with acetic acid, utilizing the environmentally benign and generally safe solvent, acetone. The optimization process initially involved key synthesis variables, including acetic acid and geraniol concentrations, temperature, and enzyme loading. Subsequently, a thermodynamic investigation of the biosynthesis was conducted alongside kinetic elucidation, providing insights into the mechanism of the lipase-mediated esterification, which was revealed to follow a Ping-Pong Bi-Bi mechanism with no apparent inhibition by either substrate. The reaction is endothermic, with calculated changes in enthalpy (ΔH), and entropy, (ΔS) at 66 kJ mol–1 and 217 J mol–1 K–1, respectively. The activation energy, Ea, was determined to be 28 kJ mol−1. Esterification was non-spontaneous below 30 °C but shifted to spontaneous at higher temperatures. These findings hold significance for the development of biocatalytic processes.

The ventilation design of mines is based on fluid dynamics. Air is the main fluid in mining ventilation. This fluid is analyzed by two models: incompressibility and compressibility. The air-fluid in the compressibility model is examined in two models of dry and wet air along with thermal analysis. This paper argues that a number of presented parameters in the common thermodynamic analysis of mine ventilation should be modified. Accordingly, issues of the Earth's true gravity acceleration, potential energy difference, the specific heat capacity of air at constant pressure and volume, enthalpy difference of air, the average volumetric mass of dry air, and the amount of output moisture are rechecked. Therefore, a new method is presented in this paper for correcting thermodynamic equations in mine ventilation design. The name of this method is the Complete Model of Wet Air Analysis (CMWAA method). The results of this paper show that the CMWAA method can accurately perform thermodynamic analysis of air-fluid in mine ventilation without requiring a specified evaporation rate in mine networks, with minimal iteration of calculations.

Abstract In this research, the adsorption of nickel (Ni), copper (Cu), cadmium (Cd), and zinc (Zn) from real sulfuric leaching solution with weakly acidic resins has been studied using response surface methodology (RSM). The adsorption process on two weakly acidic resins has been investigated as a function of pH, time, temperature, and resin dosage. The experimental results indicate that the amino phosphoric acid resin removed Ni, Cu, Cd, and Zn from an acidic solution very efficiently. Based on the central composite design (CCD) on the RSM, the statistical criteria of correlation coefficient (R2) values of Ni, Cu, Cd, and Zn are 0.9418, 0.9753, 0.9657, and 0.9189, respectively. The adsorption process followed the pseudo-second-order kinetic model and the thermodynamic calculations indicated the chemical interaction between the resin surface and the metal ions. Enthalpy values greater than zero indicate that the adsorption reaction of the metals is endothermic. The optimal adsorption process was carried out at time of 20 min, temperature of 30 0C, pH of 5, and resin dosage of 4 g/L. In these conditions, the adsorption capacity of nickel, copper, cadmium, and zinc were obtained 13.408, 7.087, 4.357, and 15.040 mg/g, respectively.

The composting and thermodynamic processes of crude oil (CO) degradation using the compost of goat manure origin (CGMO) and compost of palm oil mill effluent origin (CPOMEO) were studied. Microbial activity was investigated using the carbon dioxide (CO₂) evolution test. The physiochemical properties of the composts and that of the treated CO-contaminated soil (COCS) were also investigated. In particular, CGMO significantly improve CO degradation with the highest CO₂ evolution rate of 45 mg/g compared to the CPOMEO and the control. The CO degradation rates of 85.7 %, 71.4 %, and 14 % corresponded to the first-order CO degradation rate constants of 0.743 day−1, 0.689 day−1, and 0.136 day−1 for CGMO, CPOMEO, and control, respectively. The Fourier transforms infrared (FTIR) spectral pattern for both composts revealed adsorption bands that were identifiable with polysaccharides, potassium, and nitrogen, whereas the scanning electron microscope and energy dispersive spectrophotometry (SEMEDX) of CPOMEO indicated carbon and oxygen as the sole compositions. The negative ΔG and ΔH values indicated the spontaneity and exothermic nature of the CO composting process, respectively.

Abstract Burning fossil fuels releases toxic gases into the environment and has negative effects on it. In this study, Persian gum@Graphene oxide (Pg@GO) was synthesized and used as a novel adsorbent for CO2 capture. The characterization of materials was determined through XRD, FTIR, FE-SEM, and TGA analysis. The operating parameters including temperature, Pressure, and adsorbent weight were studied and optimized by response surface methodology via Box–Behnken design (RSM-BBD). The highest amount of CO2 adsorption capacity was 4.80 mmol/g, achieved at 300 K and 7.8 bar and 0.4 g of adsorbent weight. To identify the behavior and performance of the Pg@GO, various isotherm and kinetic models were used to fit with the highest correlation coefficient (R2) amounts of 0.955 and 0.986, respectively. The results proved that the adsorption of CO2 molecules on the adsorbent surface is heterogeneous. Based on thermodynamic results, as the value of ΔG° is − 8.169 at 300 K, the CO2 adsorption process is exothermic, and spontaneous.

Zeotropic mixtures offer a promising strategy for enhancing the thermodynamic efficiency and economic feasibility of ocean thermal energy conversion (OTEC) systems. This study investigates two binary mixtures containing R32: R32/R125 and R32/R134a. Through the development of comprehensive thermodynamic and economic models, the research examines the impact of mass fraction and evaporation temperature on the efficiency and cost-effectiveness of the OTEC system. The results indicate that, especially at high evaporation temperatures, the R32/R134a mixture—characterized by significant temperature glide—substantially increases the total energy production capacity of the OTEC system. Compared to pure R32, the OTEC with R32/R134a (mass fraction of R32 is 0.55) has a net output power increase of 9.87 kW and a reduction in LCOE of about 61.4 %. In addition, the advantages of R32/R125 mixtures over pure working fluids are not significant due to the small glide temperature. Ultimately, this investigation enhances the overall performance of OTEC systems, thereby supporting sustainable energy solutions for island communities.

This synthesis aimed to obtain a highly stable, biodegradable, biocompatible, and swellable superabsorbent hydrogel that is ecofriendly. A new method of preparation of hydrogel nanocomposite based on Castor plant leaves within swelling hydrogel networks is developed. Therefore, Sodium Alginate-g-Poly (Itaconic acid-co-Sodium 4-Styrenesulfonate)/Castor plant leaves, (SA-g-P(ITA-co-NaSS)/CPL) was prepared by free radical copolymerization using potassium persulfate (KPS) as an initiator and N,N-methylene bisacrylamide (MBA) as a cross-linker in aqueous solutions. Characterization of the prepared surface nanocomposite has been done by using Fourier-transform infrared spectroscopy (FTIR) shown all functional groups for the surface (SA-g-P(ITA-co-NaSS)/CPL), field emission scanning electron microscopy (FESEM) displayed a smooth, wrinkled nanocomposite surface versus the hydrogel's rough irregular surface. BG-loaded nanocomposite exhibited sheet-like morphology, irregular spherical shapes and nonhomogeneous distribution, transmission electron microscopy (TEM) confirmed CPL interaction with the nanocomposite matrix, evidenced by dark CPL regions, Energy dispersive X-Ray (EDX) analysis was performed to investigate the elemental composition of hydrogel nanocomposite, X-ray diffraction (XRD) pattern of the nanocomposite matrix and CPL is shown to disappear in the matrix of hydrogel., thermogravimetric analysis (TGA) to determine the thermal stability of synthesized nanocomposite, and represented a complete breakdown of the nanocomposite at 600–750 °C, and Brunauer− Emmett−Teller (BET) shows nanocomposite has a specific surface area and total pore volume of 0.019 cm3 g−1. The prepared surface has a highly effect onto Brilliant Green (BG) dye removal, exerted via the adsorbent through electrostatic interactions, and hydrogen bonds. Under the optimal conditions (Co = 700 mg. L−1, pH = 7, t = 1 h, wt. 0.05 g and T = 25 °C), the maximum adsorption efficiency of hydrogel nanocomposite to BG dye was 1260.34 mg. g−1. The higher uptake capacity resulting in efficiencies above 75–95 % across a broad spectrum of initial concentrations, pH of solution, and temperatures. Thus, after 1h of equilibrium time, it was used to obtain saturation of the adsorbate surface. Freundlich isotherm models and pseudo-second order kinetic models were found to be best in fitting the isotherm and kinetics data. Thermodynamic parameters show that the adsorption of BG dye onto nanocomposite (ΔG

The challenge of corrosion posed as a result of acidic sittings is considered as a major industrial concern, wherein ionic liquids serve as crucial in addressing the corrosive impacts on metals. In this study, five selected cyclic ammonium based ionic liquids were synthesized; IL-1MPyrBr, IL-1MPipBr, IL-2PyBr, IL-3MPyBr and IL-4MPyBr and their chemical structures were characterized using a variety of spectroscopic techniques (FT-IR, IH-NMR, 13C-NMR, Elemental analysis and thermal gravimetric analysis (TGA). Their corrosion inhibition efficiency was studied on carbon steel in 1 M HCl via different concentrations at 298 K using chemical and electrochemical parameters (PDP and EIS). DFT quantum parameters were computed, and the noted results were in complete compatible with the experimental. The synthesized ILs recorded excellent inhibition on the carbon steel corrosion in acidic media with increasing efficiency by increasing the inhibitor concentrations from 20 to 100 ppm. Different cations in the synthesized ILs affect the anti-corrosion effect and IL-3MPyBr showed the highest inhibition (ηR); 96.12% using the lowest concentration. Kinetic and thermodynamic considerations were studied and illustrated. [ABSTRACT FROM AUTHOR]

In this paper the photobiomodulation on isolated mitochondria of bovine liver is studied as a thermodynamic process of conversion of energy. This analysis is conducted by considering a particular set-up for the photobiomodulation experiments of interest. It allows, in particular, the computation of the electromagnetic field and the related energetic quantities in the stimulated organelles. The measurements of the excess of biochemical power density produced by the illuminated mitochondria are performed at regular time intervals after the experiments. The calculations and the measurements finally allow us to obtain the first results on the efficiency of the process of conversion of electromagnetic energy into excess of biochemical energy released by the isolated organelles. [ABSTRACT FROM AUTHOR]

7Li nuclear magnetic resonance (NMR) spectroscopy is an ideal tool to study hierarchically assembled helicates of the form Li[Li3L6Ti2]. Internally bound and external lithium ions can be well distinguished by solution‐ or solid‐state NMR spectroscopy and dimerization constants of the monomer/dimer equilibrium can be easily determined in solution. Averaged dimerization constants can be estimated in case of statistical mixtures of helicates formed from mixtures of ligands. [ABSTRACT FROM AUTHOR]

Nanoparticles of mixed n(Zr-Ce-Sm) oxide of crystalline size 11.7 nm are successfully synthesized by new green methods adopting Aloe vera gel as capping agent and evoking the principles of classical methods of homogenous precipitations. An active carbon is derived from stems of Artocarpus heterophyllus plant. The Artocarpus heterophyllus active carbon (AHAC), active carbon loaded with nanoparticles 'AHAC + n(Zr-Ce-Sm) oxide' and iron alginate beads doped with their admixture, 'AHAC + n(Zr-Ce-Sm) oxide-Fe.Ali', are investigated for their effectiveness for the simultaneous removal of lead and cadmium ions from water. Different extraction conditions are optimized for the maximum efficiency of the three sorbents by batch methods. The sorbents have shown good sorption nature for both the toxic ions at the pHs: 6.0 for active carbon, 6.5 for admixture and 7.0 for beads respectively at different equilibration times and dosages. The maximum adsorption capacities for Pb2+/Cd2+ ions are as follows: 15.0/20.0, 28.0/32.6, 34.0/44.3 mg/g for AHAC, admixture and beads respectively. The sorbents are characterized for various physicochemical parameters and structural aspects using XRD, FTIR, EDX and FESEM. The effects of co-ions on the simultaneous extraction are investigated. The mechanism of the adsorption process is analysed based on thermodynamic data and applicability of isotherms and kinetic models. Based on these, the mechanism of adsorption process involves the formation of a surface complex and/or ion-exchange between Pb2+/Cd2+ with the surface functional groups of adsorbents. The same is confirmed by IR investigations. The spent adsorbents can be regenerated and reused. The adsorbents developed are successfully used to treat the industrial waste water samples. The merit of this investigation is that the effective sorbents with high adsorption capacities are developed for the simultaneous remove of the highly toxic lead and cadmium ions from industrial wastewater. [ABSTRACT FROM AUTHOR]

The survey aimed to investigate the adsorption properties of cellulose-based materials derived from cereal by-products towards Ag+ ions in water solutions, and to shed light on the mechanism of adsorption. Cellulose was isolated from rice and einkorn husks using alkali and bleaching treatments. Untreated einkorn husks and commercial cellulose served as reference samples. Characterization techniques included XRD, FTIR, SEM, and low-temperature nitrogen adsorption, with surface elemental composition analyzed by XPS. The study examined how contact time, initial silver ion concentration, pH, and temperature affected adsorption. The adsorption process was modeled using pseudo-second-order and Langmuir models, and thermodynamic parameters were evaluated. All materials showed potential as effective Ag+ ion adsorbents, indicating their suitability for creating silver-modified catalytic materials. [ABSTRACT FROM AUTHOR]

Methyl violet 6B (MV6B), found in wastewater, poses hazardous effects to aquatic ecosystems and human health; therefore, it must be removed immediately. In response, this study pioneered the development of a dye adsorbent by incorporating phenolated alkali lignin (PAL) into magnetite (Fe3O4), offering a solution for MV6B removal. Lignin was extracted from coconut husk through alkali extraction, chemically modified using phenolation, and integrated onto the magnetite surface. SEM and FTIR spectroscopy were used to characterize the adsorbent, and various parameters were optimized, along with evaluations of the adsorption kinetics and isotherm models, as well as the adsorbent’s reusability. PAL was successfully deposited onto the magnetite based on the characterization. The experimental results revealed that the optimal conditions for the removal of MV6B using PAL/Fe3O4 composite are pH 4, a temperature of 313 K, a dosage of 0.10 g PAL/Fe3O4 per 15 mL of MV6B, and a contact time of 150 minutes. MV6B’s equilibrium removal rate was 95.1%, with an adsorption capacity at equilibrium of 6.42 mg/g. The adsorption of MV6B followed a pseudo-second-order kinetic model and the Freundlich model isotherm. A thermodynamic study showed that the adsorption process was spontaneous and exothermic. PAL/Fe3O4 was highly reusable after three cycles without the need for desorption. Hence, this study has demonstrated that the PAL/ Fe3O4 adsorbent is practical, economical, and efficient for wastewater treatment. [ABSTRACT FROM AUTHOR]

Favipiravir (FP) and ebselen (EB) belong to a diverse class of antiviral drugs known for their significant efficacy in treating various viral infections. Utilizing molecular dynamics (MD) simulations, machine learning, and van der Waals density functional theory, we accurately elucidate the binding properties of these antiviral drugs on a phosphorene single-layer. To further investigate these characteristics, this study employs four distinct machine learning models—Random Forest, Gradient Boosting, XGBoost, and CatBoost. The Hamiltonian of antiviral molecules within a monolayer of phosphorene is appropriately trained. The key aspect of utilizing machine learning (ML) in drug design revolves around training models that are efficient and precise in approximating density functional theory (DFT). Furthermore, the study employs SHAP (SHapley Additive exPlanations) to elucidate model predictions, providing insights into the contribution of each feature. To explore the interaction characteristics and thermodynamic properties of the hybrid drug, we employ molecular dynamics and DFT calculations in a vacuum interface. Our findings suggest that this functionalized 2D complex exhibits robust thermostability, indicating its potential as an effective and enabled entity. The observed variations in free energy at different surface charges and temperatures suggest the adsorption potential of FP and EB molecules from the surrounding environment. [ABSTRACT FROM AUTHOR]

One of the major environmental problems we have today is dye pollution, primarily caused by the textile industry. This pollution has detrimental effects on aquatic life, soil fertility, and human health. Many microbial biosorbents have been documented in the literature for the removal of a wide range of azo dyes commonly employed in the textile industry. However, Yarrowia lipolytica NBRC1658 is firstly used as both free and immobilized sorbents for the removal of Reactive yellow 18 (RY18), acid red 18 (AR18) and basic blue 41 (BB41) in this study. The effect of experimental conditions such as pH, biosorbent quantity, dye concentration, contact time, and temperature on dye removal capacity are examined. The research findings demonstrate that the adsorption capacity is higher in biomass compared to immobilized cells. The highest adsorption capacities are observed at pH 2 for RY18 and AR18, while pH 9 is optimal for BB41. Increasing the adsorbent dosage and initial concentration significantly improves the adsorption capacity. The Langmuir model best describes the adsorption process, indicating that the dye attaches to the biosorbent in a single layer, with a uniform biosorbent surface. The removal of the dye occurs through a chemical process on the biosorbent surface, as evidenced by the pseudo-second-order kinetic model. According to thermodynamic analysis, higher temperatures promote greater adsorption of dyes. Our study shows the effectiveness of Yarrowia lipolyica NBRC1658 as a biosorbent in the removal of a wide range of industrial dyes. [ABSTRACT FROM AUTHOR]

Copper smelters generate large amounts of copper smelting dust (CSD) that has a high recycling value because it contains about 20% copper. Waste acid can be used to leach CSD. Here, the effects of different temperatures, times and liquid–solid ratios on copper, iron and arsenic leaching rates were investigated. The optimal conditions were determined to be a temperature of 95°C, leaching time of 3 h, and liquid–solid ratio of 7:1. Under these condition, the leaching rate of copper reached 96.37%, and the copper ion concentration was 32.71 g/L. The leaching kinetics date revealed that the leaching of copper and iron was controlled by two different reaction models. The leaching of copper conformed to the Johnson–Mehl–Avrami (JMA) model and was diffusion controlled, and the reaction was rapid in the first 60 min. In contrast, leaching of iron was controlled by a chemical reaction. Copper and iron activation energies were 2.579 and 62.791 kJ/mol, respectively. These results show that CSD waste acid is can be used to dispose of arsenic‐containing hazardous waste in a green, sustainable, and ecologically method. [ABSTRACT FROM AUTHOR]

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The objective of this study is mainly to analyze the drying kinetic parameters, effective diffusivity, and thermodynamic performance indicators (energy, exergy, heat, and mass transfer coefficients) of tea under different drying conditions of different drying temperatures (DT) and thin layer thicknesses (TT). Experimental drying was conducted at drying temperatures of 70°C, 80°C, and 90°C with thin layer thicknesses of 10 mm, 15 mm, and 20 mm. The results show that a higher drying temperature and a lower thin layer thickness can increase evaporation moisture content and shorten drying time. By evaluating and comparing the fitting of five drying models adopted by the coefficient of determination (R2) and chi-square (χ2), it can be found that the logarithmic model is the best to describe drying behavior. The effective moisture diffusivity shows a positively correlated trend with the increase in DT and TT, with the value of activation energy ranging from 14.030 to 22.344 kJ mol-1 K-1. The specific moisture evaporation rate (SMER), energy efficiency, exergy efficiency, and sustainability index (SI) descend as the TT increases at all DT; the specific energy consumption (SEC) and improvement potential (IP) rate perform in an opposite manner, but the TT remains unchange. The conclusion drawn from the thermodynamic parameters is opposite to the aforementioned. As the TT increases, the heat and mass transfer coefficients show a significant decrease trend. In addition, the heat and mass transfer coefficients are given as functions of DT and TT, and further knowledge shows that the mass transfer coefficient is positively correlated with DT but the heat transfer coefficient is negatively correlated. In conclusion, this article provides new insights into the effects of drying characteristics, energy consumption characteristics and heat and mass transfer characteristics in the process of tea drying under different drying conditions, and provides certain theoretical reference bases for promoting the optimization of industrialized tea drying production machinery design and drying process optimization. [ABSTRACT FROM AUTHOR]

AbstractThe removal of Acid dyes (Acid Orange 52, AO-52 and Acid Red 87, AR-87) from aqueous solutions in a batch process using Magnetic modified corncob biomass (Corncob@Fe3O4) is reported. The effects of factors such as dyes concentrations, contact time, adsorbent dosage and temperature were investigated. The kinetics and equilibrium data were modeled appropriately while Response Surface Methodology (RSM), Artificial Neural Network (ANN) as well as multiple linear regression (MLR) based on Box–Behnkem design of experiment were used to model the combined effect of the factors. The thermodynamics parameters were obtained from van’t Hoff expression. Although all the kinetic models fitted the data, first order kinetic model best fitted the data with highest R2 and lowest Reduced Chi square (χ2). The monolayer adsorption capacities from Langmuir model are 47.85 and 22.48 mg/g for AO-52 and AR-87 respectively. The thermodynamic parameters obtained showed that the process is spontaneously feasible and entropy driven. Statistical evaluation showed that the process is well modeled in the order of ANN > RSM > MLR for AO-52 and MLR > ANN > RSM for AO-87. The study showed that magnetic modified corncob biomass is effective and competed favorably with other adsorbents for the adsorption of AO-52 and AO-87 dyes from aqueous solution. [ABSTRACT FROM AUTHOR]

The use of new synthetised materials as adsorbents for wastewater disposal is gaining importance due to their outstanding advantages. A Hydrotalcite-like compound Mg-Al-CO3 (HT2) with a molar ratio of Mg/Al = 2 was synthesised by the constant pH co-precipitation procedure and then characterised by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and volumetric analysis (BET). The adsorption capacity of the solid was estimated against a textile dye such as malachite green (MG). Approximately 98% MG (5.10−5M) was adsorbed onto 100 mg of Hydrotalcite in 60 min. The effect of MG concentration, the influences of pH, and contact time on adsorption, studied by a factor-by-factor approach, revealed that adsorption was influenced by all factors. A maximum adsorption of 98 ± 0.51% was achieved at 46 mg L−1 MG, 100 mg Hydrotalcite, 400 rpm in 60 min with a maximum adsorption capacity of 14 mg g−1. The nonlinear form of the kinetic and isothermal models was used to verify the experimental data. According to the error of the calculated values of R2 (Coefficient of determination), χ2 (Chi-square) and standard deviation (Δq (%)), it was found that the form of the second-order kinetic model and Langmuir isotherm model are the most suitable for the experimental data of HT2. However, thermodynamic studies and post adsorption characterisation data show that the adsorption of MG dye on Hydrotalcite is a spontaneous and endothermic physical process. [ABSTRACT FROM AUTHOR]

This study explored using deep eutectic solvents (DESs) to separate arbutin, a natural hydroquinone variant used in food and pharmaceuticals. While DESs are commonly used for natural product extraction, their potential for arbutin separation has not been studied until now. To address this gap, the authors selected a qualified aqueous biphasic system (ABS) composed of polypropylene glycol and DESs made with choline chloride and various carboxylic acids (lactic, acetic, and citric acid). To assess the effectiveness of the system, the partition coefficient and recovery of arbutin were determined as quantitative measures. The effects of different variables affecting the arbutin partitioning such as weight percentages of DES and polypropylene glycol, types of DES, and temperatures on the partitioning of arbutin were also investigated. Furthermore, thermodynamic transfer properties such as molar Gibbs energy, molar enthalpy, and molar entropy were calculated to analyze the effect of temperature on arbutin partitioning. The results indicated that increasing the weight percentages of polypropylene glycol and DESs resulted in higher partition coefficients of arbutin. The highest values of arbutin recovery (≈99.14%) and partition coefficient (≈166.22) were obtained using an ABS containing polypropylene glycol and DES-Lactic acid, suggesting the potential of this system for the separation of arbutin. [ABSTRACT FROM AUTHOR]

New cellulose-based hydrogels have been synthetically developed by a "one-step" procedure using cellulose, which was dissolved immediately in a NaOH/urea solution, and epichlorohydrin as a cross-linking agent. The ratios of cellulose and epichlorohydrin blend employed for the preparation of the hydrogel were 1:1, 1:2, 2:3, and 2:1. This polymerization process was investigated, and the obtained hydrogels were analyzed for their appearance, yield percentage, and water absorption capacity. Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), scanning electron microscope (SEM) analysis, and XRD were additionally explored in regard to the hydrogel samples. As the industry of textiles generates significant wastewater volumes that contain dangerous substances including dyes, in this study, we sought to utilize the hydrogel samples for the absorption of Safranin O which may be found in wastewater. The hydrogel showed an interesting ability to adsorb and remove Safranin O (SF) dye of up to 224 mg/g. Thermodynamically, the biosorption process was found to be exothermic (∆H < 0) and spontaneous (∆G < 0). The equilibrium results for SF removal by the biosorbent fits the Langmuir model well, indicating that the biosorption of SF which occurs in a monolayer was manifested primarily through the electrostatic driving force pathway. Response surface methodology calculations showed a maximum SF biosorption efficiency of 93.15% under optimal biosorption conditions: pH 6, biosorbent dose of 0.1 g, initial SF concentration of 10 mg L−1, and 90 min adsorption time at 25°C. Regeneration data further indicated that G2 could effectively be reused for up to three cycles, losing only 10% of the initial SF removal efficiency. Finally, it was concluded that the hydrogel (G2) could be used as a cost-effective, environmentally friendly, and recyclable biosorbent to remove SF dye from water. [ABSTRACT FROM AUTHOR]

In this study the waste (protein-polysaccharide complexes (PPC)) after integral processing of brown algae Laminaria digitata and Saccharina latissima was used as novel biosorbent for dyes (methyl orange and methylene blue) removal. The effect of different concentrations (10–250 mg/L), contact time (5–120 min), temperature (27–47 °C), and pH (2–10) on adsorption efficacy were evaluated. The highest sorption capacities were obtained under optimal temperature/pH conditions: 37 °C and pH 6 (methyl orange) and pH 10 (methylene blue). Adsorption of cationic methylene blue is significantly higher than of anionic methyl orange which indicates negative surface charge of the adsorbent. The experimental adsorption data followed the pseudo-first- and pseudo-second-order kinetics and were best represented by the Langmuir and Sips models. Thermodynamically, the adsorption process is endothermic (low concentrations) and exothermic (high concentrations). The possible mechanism of adsorption is complex and includes chemical (through binding with the − OH, − COOH, − NH2 groups) as well as physical interaction of dyes with the capillary-porous and fibrous surface of PPC. The obtained results highlight the potential of the studied protein-polysaccharide complexes as biosorbents. [ABSTRACT FROM AUTHOR]

Recently, it was shown that the power-Maxwell (PM) theory could remove the singularity of the electric field (B. Eslam Panah, Europhys. Lett. 134, 20005 (2021)). Motivated by a great interest in three-dimensional black holes and a surge of success in studying massive gravity from both the cosmological and astrophysical points of view, we investigate three-dimensional black hole solutions in de Rham, Gabadadze, and Tolley massive theory of gravity in the presence of PM electrodynamics. First, we extract exact three-dimensional solutions in this theory of gravity. Then we study the geometrical properties of these solutions. Calculating conserved and thermodynamic quantities, we check the validity of the first law of thermodynamics for these black holes. We also examine the stability of these black holes in the context of the canonical ensemble. We continue calculating this kind of black hole's optical features, such as the photon orbit radius, the energy emission rate, and the deflection angle. Considering these optical quantities, finally, we analyze the effective role of the parameters of models on them. [ABSTRACT FROM AUTHOR]

Summary: D‐limonene is an important flavouring ingredient with a wide range of applications. However, its high volatility and low stability have severely impacted its application in the food industry. To address these limitations, temperature‐flavour release control system is expected to be established to reduce the loss of D‐limonene during processing and storage, as well as to control its release by temperature. The aim of the current study is to construct an oleogel system to encapsulate D‐limonene using carnauba wax as a gelling agent and palm oils (POs) as the base oil. POs with 24 °C, 38 °C, 42 °C, 48 °C, and 52 °C melting points were selected to systematically investigate the effects of the base oil melting point on the crystal morphology, interactions, physicochemical properties, microstructure, and D‐limonene release of the oleogels. The enthalpy of melting, enthalpy of crystallisation, hardness, stickiness, and gel strength increased in oleogels prepared using POs with a higher melting point. In addition, the oil‐binding capacity (OBC) (>95%) of the oleogels increased with the base oil melting point, while the fat crystal distribution became more homogeneous and denser. Based on the influence that extraction temperature has on the concentration of released D‐limonene (a lower concentration of aroma was released from high‐melting‐point POs oleogels at low temperatures (<1.9 mg mL−1), whereas the control group released >2.5 mg mL−1), suitable POs can be selected to achieve the release or retention of the aroma. These results demonstrate that a temperature‐responsive flavour delivery system can be prepared with different PO melting points. The molecular dynamics of flavour release revealed that storage temperature and fat crystalline state impact the cumulative release rate of D‐limonene. [ABSTRACT FROM AUTHOR]