Langmuir-Hinshelwood Kinetic Model Research Articles

An exhaustive exploration of Zn0.15Sn0.85(Se0.95S0.05)2 crystal-based photodetector and its potential application as a photocatalytic material

The research pioneers the exploration of synthesized quaternary Zn0.15Sn0.85(Se0.95S0.05)2 (ZSSS) crystals, demonstrating remarkable efficacy as optoelectronic switching devices and potent photocatalysts. The ZSSS photodetector recorded a stable photoresponse with remarkable rapid rise and decay times. The Langmuir-Hinshelwood kinetic model was used to look at the photocatalytic activity at different methylene blue concentrations. The researchers grew highly pure ZSSS crystals using the direct vapour transport (DVT) method. Field effect scanning electron microscopy (FESEM) and high-resolution transmission electron microscopy (HRTEM) images reveal the layer growth mechanism in the grown crystals. The structural analyses of the grown crystals were carried out using an X-ray diffraction (XRD) pattern and temperature-dependent Raman spectroscopy. The Lorentzian function was fitted to experimental data to carry out the temperature-dependent Raman analysis. The grown crystals exhibit a direct optical bandgap of 1.69 eV. The electrical analyses explain the semiconducting nature of the crystals.

Reaction mechanism and kinetics for Pt/C and Au/C catalyzed aqueous phase glycerol oxidation to various carboxylic acids

Fundamental understanding of heterogeneously catalytic aerobic oxidation of polyol is highly desirable for sustainable and efficient chemical synthesis. Herein, based on the purpose of exploring the selectivity of various carboxylic acids on Pt-Au catalysts with different ratios, we conducted a comprehensive investigation into the reaction pathways of glycerol oxidation over pristine Pt/C and Au/C catalysts via experiments, kinetics analysis and DFT calculations. Structural characterizations revealed that Pt/C exhibits a higher metallic state and more d electrons, thus tending to strongly adsorb OH– and promote oxygen activation. Conversely, the weak oxygen activation of Au/C could be attributed to fewer cationic high valence state and d electrons. Furthermore, the Langmuir-Hinshelwood kinetic model and DFT calculations indicate both catalysts exhibit obvious differences in product distribution. Specifically, Pt demonstrated higher selectivity towards lactic acid by facilitating dehydration of C-OH in glyceraldehyde and promoting timely desorption of lactic acid species. In contrast, Au displayed more glycolic acid products caused by strengthening oxidative cleavage of C-C bond in glyceric acid. Expanding to bimetallic catalysts, it was observed that catalysts with higher Au content exhibit enhanced selectivity towards the oxidation of glyceric acid to glycolic acid, while those with a higher Pt ratio demonstrate increased selectivity for the oxidation of glycerol to lactic acid. These findings provide valuable insights for guiding the design and optimization of this catalytic process to achieve targeted product generation.

Efficient photocatalytic reduction of Cr(VI) and degradation of tetracycline by Bi2Se3@ZnIn2S4 binary heterostructures enriched with sulfur vacancies: Mechanism and mineralization analysis

Constructing a sulfur-vacancy-enriched heterostructure offers advantages in enhancing photocatalytic performance due to the synergy between the vacancy’s electron-trapping and the internal electric field (IEF) features. In this study, a series of IEF-modulated type-I heterostructures containing sulfur vacancies-rich ZnIn2S4 (SV-ZIS) and Bi2Se3 (BSe) was rationally developed by hydrothermal and reduction methods. The optimized BSe@SV-ZIS catalyst shows an outstanding photocatalytic Cr(VI) reduction and tetracycline degradation rates, which are ∼ 2.1 and ∼ 1.5 times higher than that of pure SV-ZIS and BSe, respectively. Notably, the enhanced catalytic performance of binary samples could be linked to efficient absorption of the full spectrum of light, heterojunction formation and larger contact area to enhance the charge carriers movement at their interface and exceptional photo-stability. By assisting DRS, VB-XPS, and UPS analyses, details of the energy band position, charge carriers transport route, and preliminary photocatalytic mechanism were systematically explored. Furthermore, radical scavenging and electron paramagnetic resonance experiments were conducted to provide evidence of the participation of the reactive species during photocatalysis over BSe@SV-ZIS. Kinetic analysis revealed that the rate of photocatalytic process adheres to the Langmuir–Hinshelwood kinetic model. These results demonstrated that the heterostructuring approach holds significant potential as an effective avenue for developing photocatalysts that can harness both visible and NIR light, offering promising solutions to contemporary challenges in the realms of environmental decontamination and energy.

Facile green synthesis of a novel NiO and its catalytic effect on methylene blue photocatalytic reduction and sodium borohydride hydrolysis

NiO nanoparticles were synthesized from pine cone extract by green synthesis method, which is a simple, cost-effective, environmentally friendly and sustainable method. The particle size of NiO nanoparticles was determined to be in the range of 10–25 nm by X-diffraction differential and transmission electron microscope analysis, and the bandgap energy of NiO nanoparticles was determined to be 2.66 eV. The catalytic effect of NiO nanoparticles in both microwave-assisted sodium borohydride hydrolysis and photocatalytic reduction of methylene blue was examined and it was determined that they had a high catalytic effect in both applications. It was determined that the hydrogen production rate in sodium borohydride hydrolysis was 1135 mL/g/min. The activation energy of sodium borohydride hydrolysis is 29.69 kJ/mol and 29.59 kJ/mol for the nth-order and Langmuir Hinshelwood kinetic models, respectively. In the photocatalytic reduction of methylene blue with NaBH4, it was determined that the reduction did not occur in the absence of a catalyst, but in the presence of the catalyst, the reduction occurred 98% in 3 min. It was determined that NiO nanoparticles were used five times in the photocatalytic reduction of methylene blue and the reduction efficiency for the fifth time was 93%. It was determined that the photocatalytic reduction of methylene blue was pseudo-first order and the rate constant was 1.63 s−1. It was determined that NiO nanoparticles synthesized by the environmentally friendly green synthesis method can be used as catalysts for two different applications.

Internal dry reforming of methane in solid oxide fuel cells

In the context of global efforts to reduce greenhouse gas emissions and combat extreme global warming, the direct dry reforming of methane reaction in solid oxide fuel cells presents a promising avenue for clean energy production. This study delves into the influence of temperature, gas composition, and current density on the kinetics of dry methane reforming in solid oxide fuel cells. Power Law and Langmuir-Hinshelwood kinetic models were proposed to highlight the impact of operating conditions on dry methane reforming reactions. Results revealed that the feed gas composition strongly affects methane conversion, with higher methane contents resulting in lower conversions. Increasing the CH4/CO2 ratio increases reaction rates, and the effect decreases at a ratio of 1.25. The changes in methane concentration on dry methane reforming reaction rate are more significant than those for carbon dioxide. However, increasing carbon dioxide concentration enhances methane conversion. The exothermic nature of CO2 adsorption suggests that the adsorption process is thermodynamically favourable in dry reforming, and the elevated temperatures generally improve reaction rates and methane conversion by removing carbon deposits and providing the energy needed to break down the chemical bonds in methane which facilitating its transformation. A higher current density significantly enhances the CO2 adsorption equilibrium constant and further increases methane conversion, highlighting the positive role of electrochemical reactions on dry methane reforming. This study aims to fill the knowledge gap regarding the influence of electrochemical reactions on dry methane reforming behaviours in solid oxide fuel cells, offering critical insights for advancing anode design, thus contributing to the development of solid oxide fuel cell technologies to address global warming and reduce greenhouse gas emissions.

Synergistic bifunctionality of ZnO nanowalls: Antibacterial activity and photocatalysis through integrated in silico and in vitro approaches

This research investigation delves into the versatile attributes of ZnO nanowalls, specifically probing into their dual functionality encompassing antibacterial and photocatalytic properties. The synthesis of ZnO was achieved by employing a microwave-mediated co-precipitation technique. The resulting sample underwent thorough characterization through diverse analytical methodologies. X-ray diffraction analysis disclosed the prevalence of the hexagonal wurtzite phase, as confirmed by JCPDS card No. 36–1451, with an average crystallite size determined as 23.48 nm. Tauc plot extrapolation method was applied to the UV absorption spectrum to ascertain the bandgap energy. The ZnO nanostructure morphology, featuring multi-directional nano-walls, was unveiled through scanning electron microscopy (SEM). The BET nitrogen adsorption technique quantified the surface area of the ZnO sample as 6.69 m2/g. In antibacterial evaluation, the in vitro (disk diffusion) method showcased the remarkable efficacy of ZnO against both gram-positive Staphylococcus sp. and gram-negative E. coli bacteria. Complementing these experimental findings, in silico molecular docking studies exposed both nano ZnO ligands with standard and corrected lattice parameter values exhibiting favorable binding energy. Moreover, the synthesized ZnO nanoparticles exhibited remarkable photocatalytic activity, particularly demonstrated in the decolorisation of Azure A and Azure B dyes, following the first-order Langmuir–Hinshelwood kinetic model. The collective findings underscored a synergistic effect within the fabricated ZnO nanoparticles, showcasing their dual prowess in both antibacterial and photocatalytic activities. The observed phenomenon can be chiefly ascribed to the presence of lattice strain and dislocation density. This intriguing dual functionality positions them as promising candidates for potential applications in wastewater treatment.

Microstructures, Optical, magnetic Properties, and photocatalytic activity of magnetically separable and reusable ZnO-Doped Fe3O4/rGO nanocomposite synthesized via green route

We report magnetically-separable, reusable, green-synthesized Fe3O4/rGO/ZnO, as heterogeneous catalyst for photo-Fenton degradation of organic pollutants in aqueous solution under certain treatments. Fe3O4 nanoparticles was green-synthesized using Moringa oleifera leaf extract, while rGO was synthesized utilizing Amaranthus viridis leaf extract. Fe3O4/rGO was composited under sonication treatment. Afterwards, Fe3O4/rGO was doped with ZnO with various concentration of ZnO. X-ray diffraction and selected area electron diffraction showed that Fe3O4 and ZnO had spinel cubic and hexagonal structure, respectively; another phase appeared as Fe2O3 spinel cubic structure. Crystallite size was decreased as the ZnO concentration increased. Morphology image showed almost spherical, non-uniform, and slightly dispersed particle under agglomerated condition, attaching to rGO sheets. The particle size of Fe3O4, Fe3O4/rGO, and Fe3O4/rGO/ZnO is 14.3; 14.1; and 10.4 nm, respectively. Fourier-transform infrared spectra showed metallic functional groups, such as Fe-O and Zn–O at 562–589 and 462–478 cm−1 also suggests nanocomposite formation. However, blue-shift absorption and band gap widening were observed with ZnO addition. Raman spectroscopy revealed the formation as-synthesized GO and rGO. Vibrating sample magnetometer showed that green-synthesized Fe3O4/rGO/ZnO exhibited superparamagnetic properties. Removal efficiency of photodegradation methylene blue was optimal for green-synthesized Fe3O4/rGO/ZnO under sonication treatment, reached 100 % degradation within 180 min for uptake every 30 min. Photodegradation was also analyzed using Langmuir-Hinshelwood kinetic model, resulting rate constant of 24.7 × 10−3 min−1 and half-life time of 28.1 min at optimum treatment. Reusability of photocatalytic activity after 3 cycles showed only a tiny drop in catalytic efficiency. Meanwhile, it possesses high stability in catalytic activity and structure. The green-synthesized Fe3O4/rGO/ZnO potential as an environmentally friendly reusable photocatalyst for wastewater degradation.

Hexavalent Chromium Reduction Mediated by Interfacial Electron Transfer over the Co@NC Nanosheet-Assembled Microflowers.

The reductive transformation of Cr(VI) into Cr(III) mediated by formic acid with efficient, stable, and cost-effective catalysts is a promising strategy for remediating Cr(VI) contamination. Herein, we report the facile construction of uniform Co@NC nanosheet-assembled microflowers for the reduction of Cr(VI). Both experimental results and density functional theory (DFT) calculations reveal the vital role of the intensive interfacial electronic interaction between Co nanoparticles and the N-doped carbon layer in facilitating the anchoring and dispersion of Co nanoparticles within the carbon framework. The interfacial electron transfer from Co to NC contributes to the interaction with Cr2O72- ions, promoting the subsequent H-transfer reaction. A Langmuir-Hinshelwood kinetic model has been established for the Cr(VI) reduction catalyzed by the CNCF2 (pyrolyzed at 700 °C), which shows a superior reaction performance. This study provides a facile strategy to delicately design well-assembled heterostructures with rich interfaces and strong interfacial interactions for a series of applications in environmental/thermal catalysis.

Structure–activity relationships over Ru/NiAl2O4 catalysts in anisole demethoxylation: spectroscopic and kinetic studies

Demethoxylation was kinetically and spectroscopically studied over three catalysts with different Ru0/Ruδ+ ratios. In-situ spectroscopic tests demonstrated that the synergy between Ru0 and Ruδ+ was crucial, and Ru0 was in charge of H2 activation and adsorption of aromatic ring while Ruδ+ adsorbed with O in methoxyl. A Langmuir–Hinshelwood kinetic model was proposed, and ratio of Ru0/Ruδ+ was the key in deciding the rate-determining step (RDS): i) desorption of toluene was RDS over catalyst with high Ru0 ratio; ii) dissociation of H2 was RDS over Ruδ+ enriched catalyst; iii) demethoxylation was rate-determined by CO water–gas shift (WGS) when Ru0/Ruδ+ approached ~ 1. The best performance was obtained over Ru/NiAl2O4-200, which effectively enabled both C-O bond activation and rapid recovery of adsorption sites for aromatic rings. Finally, in-situ DRIFT studies on methoxy decomposition and CO-WGS unraveled that the electronic composition of Ru was more stable in Ru/NiAl2O4-200 which contributes to its excellence.

Quaternary In0.15Sn0.85(Se0.95S0.05)2 crystal: Synthesis, characterization, and its multiple applications

The applications of quaternary In0.15Sn0.85(Se0.95S0.05)2 (ITSS) crystals were investigated as a near-infrared (NIR) optoelectronic switching device, vacuum pressure sensor, and photocatalyst. The remarkable photoresponse is demonstrated by the NIR crystal-based ITSS photodetector for various applied external biasing voltage. The NIR photodetector exhibits fast switching with a photoresponsivity of 147 mA/W. The crystals were investigated as a vacuum pressure sensor in the vacuum range ranging from 0 mbar to −1033 mbar as a function of electrical resistance. The n-type grown quaternary crystals have a direct optical bandgap of 1.38 eV. The photocatalytic activity was assessed by varying the concentration of methylene blue (MB) and the characteristics of the photocatalytic process were computed using the Langmuir-Hinshelwood kinetic model. Raman spectroscopy was performed on the grown crystals at temperatures ranging from 98 K to 448 K, with a step of 50 K to study the structural stability. The Lorentzian function was fitted to the experimental data to determine the peak width and peak position. The quaternary ITSS crystals were grown by the mechanical alloying process. The stoichiometry and layered growth mechanism of grown ITSS crystals were confirmed through energy dispersive X-ray spectroscopy (EDS) with mapping and field emission scanning electron microscopy (FESEM), respectively. The hexagonal crystal structure was characterized by the powder X-ray diffraction (PXRD) pattern, and the electrical resistance was studied as a function of temperature.

Advancement of visible light-driven photocatalytic degradation of dimethyl sulfide by Zn doped rGO/TiO2

In this study, visible light-driven photocatalytic degradation of dimethyl sulfide (DMS) by nanocomposite photocatalyst was achieved through doping TiO2 with reduced graphene oxide (rGO) and various contents of Zn via solvothermal method. Doping of Zn led to formation of oxygen defects and presence of Ti3+ which further promoted photocatalytic activity. After modification, formation of lower level band gap between VB and CB reduced required energy for electron excitation and accelerated light energy utilization. Besides, the presence of surface oxygen vacancies enhanced photocatalytic activity via adsorption of exoteric oxygen. The best DMS conversion (almost 50 %) was performed by 0.1rGO/Zn1TiO2 under typical indoor environment at 60 % RH. Declining of relative humidity to below 10 % improved photocatalytic degradation of DMS due to lower competitive adsorption of water vapor. The best fitting by Langmuir-Hinshelwood kinetics model 4 also supported the occurrence of competitive adsorption with water vapor. Moreover, detection of generated intermediates was used in development of proposed reaction mechanism. Thus, the discussion on DMS photocatalytic degradation over Zn/rGO/TiO2 could be comprehensively conducted from the preparation, characterization, stability test, proposed reaction mechanism, and kinetic study.

Green synthesis of AgCoFe2O4@Ch/AC as a recyclable, magnetic nanohybrid heterogeneous catalyst in photodegradation of ceftriaxone from aqueous solutions with effluent bioassay

Ceftriaxone (CFTR) is among the most commonly used antibiotics in the treatment of different types of bacterial infections and widespread pneumonias. It was also known as one of the most frequently prescribed antibiotics during the Corona pandemic. This drug has a longer half-life than other antibiotics. In this research, the heterogeneous magnetic nanophotocatalyst AgCoFe2O4@Chitosan(Ch)/activated carbon (AC) was synthesized by co-precipitation method under microwave waves. The catalyst structure was characterized by XRD, FTIR, FESEM, EDS, mapping, line scan, BET, VSM and DRS analyzers. Then, the effect of pH, CFTR concentration, nanophotocatalyst dose and irradiation time on the photocatalytic process efficiency was investigated. The analyses showed that the catalyst was synthesized on a nanometer scale, high surface area (60.044 m2/g), high magnetic strength (Ms = 10.39 emu/g) and appropriate optical activity with band gap (3.1 eV). The highest removal efficiency at pH = 3, CFTR concentration of 5 mg/L, dose of 0.24 g/L, and irradiation time of 60 min was obtained at 98.8% and 79.01% for synthetic and real wastewater samples, respectively. The reaction kinetics followed the pseudo-first-order and Langmuir–Hinshelwood kinetic models with KC = 0.23 mg/L min and KL−H = 0.168 L/mg. The recovered catalyst was able to remove CFTR with an efficiency of 80.16% after 4 reuse cycles. The results of scavenger radical tests showed that the main active radical species was ^{ cdot } {text{OH}}. The obtained results from the effluent toxicity on the germination index of lettuce, watercress, radish and tomato seeds showed a significant reduction in the environmental hazards of the effluent. Due to the high efficiency, this nanophotocatalyst can be used for the treatment of pharmaceutical and hospital wastewaters, and the effluent has the least toxicity for the environment.

Kinetics of ester-105 degradation by La/TiO2 photocatalysis

Lanthanum-doped titanium (La/TiO2) nano-photocatalysts were prepared using the sol-gel method and characterized by X-ray diffraction (XRD), zeta potential, and low-temperature nitrogen adsorption analyses. Ester-105, a flotation collector from beneficiation wastewater, was chosen as the target pollutant. The influence of the initial ester-105 concentration, pH, and photocatalyst dosage on the photocatalytic degradation of ester-105 was investigated. To examine the kinetics of the adsorption and photocatalytic degradation of ester-105, a Langmuir adsorption model and Langmuir-Hinshelwood kinetic models were established and discussed. The synthesized photocatalyst comprised anatase-phase TiO2, with an isoelectric point of pH = 6.5, specific surface area of 56.1626 m2·g−1, and average pore size of 7.78 nm. The maximum adsorption and the adsorption equilibrium constant of La/TiO2 for ester-105 were determined as 0.338 mg·g−1 and 1.008 L·mg−1, respectively. The first-order kinetic reaction rate constant (k) exhibited a linear relationship with the initial ester-105 concentration. The optimal pH for ester degradation was theoretically determined to be 6.95, and the optimum photocatalyst dosage was found to be 0.2739 g·L−1. Experiments confirmed that the photocatalytic degradation of ester-105 using La/TiO2 followed the Langmuir-Hinshelwood kinetics model, thereby providing a theoretical foundation for the photocatalytic degradation of ester-105 for industrial application.

Survey of catalytic performance of TiO2 via coupling with ZSM-5 Zeolite under UV light for activation of peroxymonosulfate Applied towards Orange II (OII) degradation

Background: The widespread presence of organic dyes in the various industries’ effluent such as paper, textile, and clothing has led to significant environmental pollution. Titanium oxide (TiO2 ) nanoparticles immobilized on zeolite (ZSM-5) were investigated under UV light for activation of peroxymonosulfate (PMS) for photocatalytic degradation of Orange II (OII) dye in aqueous solutions. Methods: In this study, the photocatalyst used was prepared by immobilizing different amounts of TiO2 nanoparticles on ZSM-5. Characterization analyses including X-ray diffractometer (XRD), Fourier transform infrared (FTIR), BET, scanning electron microscope (SEM), and energy dispersive X-ray spectroscopy (EDS) were performed on the synthesized samples. Then, the effect of various parameters, such as TiO2 nanoparticles loading onto the ZSM-5, pH, contact time, dye concentration, and TiO2 / ZSM-5 dosage, is investigated for the removal of OII as a model molecule under the UV irradiation with 15 W power. Results: The highest removal percentage of OII dye (97.44%) was obtained in the optimal operating conditions of pH=3, the initial dye concentration=5 ppm, amount of TiO2 /ZSM-5=10 mg/L, amount of PMS=50 mg/L, and reaction time=120 minutes. The Langmuir–Hinshelwood kinetics model fitted with the experimental data. Conclusion: The obtained results of this research showed that PMS can be used as a suitable oxidant activated with ZSM-5/TiO2 nanocomposite in OII degradation in different water environments, by optimizing the effective operating factors.

Integration of WO3-Doped MoO3 with ZnO Photocatalyst for the Removal of 2-Nitrophenol in Natural Sunlight Illumination

Environmental contamination has become the most pressing issue in recent years. The value of clean water to mankind has sparked interest in heterogeneous photocatalysis. In this study, a novel photocatalyst has been synthesized by integrating WO3-doped MoO3 (WDM) and ZnO through composite formation. The composite nature of the synthesized photocatalyst was confirmed due to the presence of hexagonal ZnO and orthorhombic WDM phases in XRD pattern and scanning electron micrographs. Solid-state absorption spectra and a bandgap analysis showed that WDM-spectral ZnO’s response was better than that of pure ZnO. PL and EIS unveiled the effective role of WDM in suppressing the e−–h+ recombination process and charge-transfer resistance, respectively, in ZnO. The photocatalytic studies showed that WDM-ZnO was able to remove ~90% of 30 ppm 2-nitrophenol (2-NP) with a rate of 1.1 × 10−2 min−1, whereas ~65% 2-NP was removed by ZnO (6.1 × 10−3 min−1 rate) under the exposure of natural sunlight (800 × 102 ± 100 lx). Moreover, ~52% higher total organic carbon (TOC) removal was observed by WDM-ZnO as compared to ZnO. The photocatalytic removal of 2-NP by the produced photocatalysts followed the Langmuir–Hinshelwood kinetic model, as shown by the kinetic studies. The reactive oxygen species (ROS)-trapping established that the photocatalytic removal mechanism of 2-NP over WDM-ZnO in sunlight illumination was mainly triggered by the superoxide anion (O2•−) radical, however, the minor role of hydroxyl (•OH) radicals cannot be completely ignored.

High-capacity adsorption of hexavalent chromium by a polyaniline-Ni(0) nanocomposite adsorbent: Expanding the Langmuir-Hinshelwood kinetic model

A nanocomposite of 2-napthalenesulfonic acid doped-polyaniline decorated with zero valent nickel nanoparticles (PANI-NSA@Ni0), was considered for the removal of hexavalent chromium from synthetic effluent. Adsorption conditions (pH, dose) were optimised, and parameters necessary for the design of PANI-NSA@Ni0-based adsorption equipment (adsorbent capacity, kinetic constants, etc.) were estimated from batch adsorption experiments. PANI-NSA@Ni0 successfully achieves total hexavalent chromium removal at a dose of 0.6 g/L, corresponding to a Cr(VI) loading of 333.3 mg/g, and when 2 < pH < 3. The combined monolayer capacity of the adsorbent was found to be 820.5 mg/g, with equilibrium adsorption behaviour adequately described by a modified dual-site Langmuir isotherm model. The adsorption of Cr(VI) by PANI-NSA@Ni0 was found to be largely unaffected by the presence of competing ions. Following adsorption, successful recovery of 95.5% of adsorbed chromium was achieved by employing HNO3 followed by NaOH as desorption agents, however this resulted in ≈ 88% loss in adsorption capacity for the subsequent cycle. After redeposition of Ni0 on the desorbed material, the adsorbent’s capacity was restored to 92% of the original capacity. An adsorption-coupled reduction mechanism, followed by the precipitation of Cr(OH)3, is believed to be the major mechanistic process responsible for Cr(VI) removal. Based on the proposed mechanism, a modified Langmuir-Hinshelwood adsorption-coupled reduction kinetic model was used to successfully describe the adsorption kinetics. The modified Langmuir-Hinshelwood adsorption-coupled reduction kinetic model produces rate constants which are independent of operating conditions such as initial pollutant concentration and adsorbent dose, and adequately describes the system’s equilibrium using the same rate constants. Thermodynamic parameters calculated using the best fitting isotherm model and novel kinetic model were both in agreement, and revealed that the adsorption process proceeds spontaneously and endothermically, with an increase in randomness at the solid–liquid interface and potential changes in the structure of the adsorbent/adsorbate.

Mechanistic view of MoS2 confined chitosan-polyaniline hybrid composite for the photo-oxidation of cationic dyes

In this article, we describe the formulation of polyaniline-chitosan/MoS2 (PANI-CS @MoS2) blended composite and evaluated its efficiency to degrade the dye molecules Rhodamine B (RhB) and Malachite Green (MG) under visible light. In the photocatalytic mechanism, the CS acts as an electron carrier and binding agent during the oxidation reaction to decrease the recombination of electrons and holes generated by the irradiation of light. FTIR, XPS, XRD, TG, Zeta Potential, UV, SEM, AFM and TEM were used to characterize the PANI-CS@MoS2 composite after it had been synthesized. For the degradation analysis, 30 mg/L concentrations of 50 mL MG and RhB dye solutions were used. The recommended dosage of the composite was 100 mg. For MG and RhB dyes, the colour removal rates were 96.2 % and 91.5 %, respectively, under exposure to visible light and at the pH ranges of 8–11. After being exposed to visible light for 60 min, the whole decay process was accomplished. The photocatalyst offers great extensibility up to five iterations. The Langmuir-Hinshelwood kinetic model governs the rate of dye molecules degradation. The result of the study revealed that the PANI-CS@MoS2 composite matrix perhaps be a trustworthy and practical substrate for the efficient refinement of dye-deteriorated water⁠⁠⁠⁠⁠⁠⁠.

Characterization and photocatalytic activity of ZnO nanoparticles by green synthesis method

In this work, zinc oxide nanoparticles have been synthesized by green synthesis technique using sodium hydroxide and zinc nitrate, with and without calcination. In this research, Myrtus communis extract was used along with three different alkaline molar ratios (0.5 M, 1 M, and 2 M) to successfully synthesize ZnO nanoparticles (NPs) from the same precursor. In the calcined samples, this process was carried out at 800 °C. X-ray diffraction, scanning electron microscopy, and diffuse reflectance spectra were used to explore the structural, morphological, and optical features of ZnO nanoparticles. The XRD peaks confirm the successfully synthesized hexagonal wurtzite zinc oxide and are in full conformity with the published data of the JCPDS: 36–145. With high absorption peaks at about 370 nm wavelength, UV-Vis spectroscopy further supported the ZnO NPs' strong optical properties. Morphology and topography were discovered by SEM analysis and displayed the evolution of ZnO nanowires around 10 µm length with calcination. No nanowire formation was observed in the uncalcined samples. The results demonstrated that the degradation efficiency of ZnO nanoparticles is dependent primarily on the UV exposure time and morpholgy. When ZnO with 1 M NaOH calcined at 800 °C is used, the maximum MB degradation of about 99% is achieved. Methyl blue photodegradation follows the first-order Langmuir–Hinshelwood kinetic model.

Facile “Green” synthesis of a novel Co–W–B catalyst from Rheum ribes shell extract and its effect on sodium borohydride hydrolysis: Kinetic mechanism

The present investigation aimed to assess the influence of the Co–W–B NPs catalyst on the process of sodium borohydride hydrolysis. The study involved the synthesis of Co–W–B NPs through the utilization of an eco-friendly green synthesis extract derived from the Rheum ribes shell in conjunction with the chemical reduction technique for catalyst production. The investigation of catalysts' structure and surface morphology was conducted through the utilization of X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), energy-dispersive X-ray spectroscopy (EDX), and Fourier transform infrared spectroscopy (FTIR) techniques. The average particle size was determined to be 35 nm in TEM analysis. The presence of Co–W–B nanoparticles and their elemental composition % were determined through EDX analysis, revealing values of 63.9% (Co), 31.89% (C), 1.75% (B), and 2.46% (W) within the nanoparticle. The manufactured Co–W–B catalyst's use for hydrolysis of sodium borohydride was studied under various conditions, including different concentrations of NaOH and NaBH4, different amounts of catalyst, and different temperature parameters. The hydrogen production rate for the Co–W–B NPs catalyst in NaBH4 hydrolysis was determined to be 5367 mLg−1min−1 at 30 °C. The study involved the determination of TOF values for a catalyst composed of Co–W–B NPs, which were subjected to varying temperatures. The activation energies were determined through the utilization of the n-th order and Langmuir-Hinshelwood kinetic models and subsequently calculated using the Arrhenius equation, resulting in values of 35.36 and 31.70 kJ/mol, respectively. The values of enthalpy and entropy, ΔH and ΔS, were determined through the utilization of Eyring's equation, 18.49 kJ/mol and −80.7 J/mol.K, respectively.

Effect of light alkanes and aromatics on decalin dehydrogenation over noble metal catalysts: A new strategy for the development of naphthalene-based LOHCs

The use of the naphthalene/decalin pair as a liquid organic hydrogen carrier has gained increasing interest due to its high hydrogen loading capacity and industrial availability. However, a major challenge in its application is the fact that naphthalene is a solid at ambient conditions, leading to the solidification of the unloaded organic carrier. To address this limitation, small amounts of light organics, such as monoaromatics or cycloalkanes, can be added. In this study, we investigated the dehydrogenation of decalin over various supported precious catalysts (Pt, Pd, Rh, Ru; supported on both activated carbon and alumina) in a stirred batch reactor at 200 °C. Initial experiments were conducted with pure decalin, and we found that Pt/C provided the best performance. Subsequently, we studied the dehydrogenation of decalin in mixtures with different solvents (cyclohexane, methylcyclohexane, benzene, and toluene in the concentration range of 10–40% of the light hydrocarbon). Our results show that the addition of cycloalkanes did not affect the main reaction, while aromatic compounds exhibited weak inhibition. A Langmuir-Hinshelwood kinetic model has been proposed for predicting this behavior, taking into account the significant inhibitory impacts of naphthalene and, when present, the aromatic additive.