Surface Adsorption Properties Research Articles

Lattice defects and surface adsorption properties of gold-bearing chalcopyrite: A theoretical study based on DFT

Chalcopyrite (CuFeS2), as one of the carrier minerals of gold, undergoes significant alterations in lattice and surface properties upon doping with gold impurities. These changes markedly influence its separation and purification techniques, especially flotation. Using Density Functional Theory (DFT) based on first-principles, we analyze the influence of gold impurities on the lattice defects and surface properties of chalcopyrite. We developed an adsorption model using prop-2-yn-1-yl diethylcarbamodithioate (PDEC), a sulfur ester collector with an ethynyl group, on gold-infused chalcopyrite to elucidate the adsorption mechanism. Our findings indicate that the Au atom primarily occupies interstitial sites within the chalcopyrite lattice, resulting in an expanded lattice structure. Despite the doping, the lattice remains a p-type semiconductor with increased conductivity, facilitated by Au 6 s orbitals contributing to impurity levels within the conduction band from 2 to 4 eV. Additionally, there is a marked rise in spin-up electrons, with Integrated |Spin Density| results showing greater electron localization in Cu15Fe16S32Au and Cu16Fe16S32Au compared to ideal chalcopyrite crystal (Cu16Fe16S32). The Au atom exhibits maximum stability when adsorbed onto the S-Fe bonds on chalcopyrite surfaces, primarily forming covalent bonds through electron acceptance from Fe 3d orbitals. The presence of gold impurities decreases the collector's adsorption energy on the chalcopyrite (112) surface. However, PDEC exhibits enhanced adsorption performance relative to Al-DECDT and Z-200, primarily due to the chelation between thiocarbonyl and ethynyl groups of PDEC and the gold-bearing chalcopyrite (112) surface. Electron donation from Fe 4p orbitals of surface to the S 3 s and 3p orbitals of collector forms a sigma bond, while the ethynyl group undergoes hybridization with the Au 5d orbitals from −5 to −2.5 eV, fostering stable electron transfer.

Effective Corrosion Inhibition of Galvanic Corrosion of Cu Coupled to Au by Sodium Dodecyl Sulfate (SDS) and Polyethylene Glycol (PEG) in Acid Solution

This study investigates the effects of sodium dodecyl sulfate (SDS) and polyethylene glycol (PEG) on the galvanic corrosion behavior of copper (Cu) coupled to gold (Au) in a printed circuit board (PCB) etching solution. Galvanic corrosion tests using ZRA (zero resistance ammeter) were performed to determine the optimal SDS concentration for corrosion inhibition. The corrosion current between Cu and Au decreased significantly with the addition of SDS, from 3.26 mA/cm2 to 0.248 mA/cm2 at 4 mM SDS, achieving an inhibitor efficiency (IE) of 92.3%. However, at 15 mM SDS, the corrosion current increased, and IE decreased to 80.5%. This phenomenon is attributed to the critical micelle concentration (CMC) of SDS, where surfactant molecules aggregate and reduce surface adsorption properties. Similarly, ZRA tests were conducted to analyze the effects of PEG on galvanic corrosion. The corrosion current significantly decreased with PEG addition, achieving 98.1% IE at 1 g/L and 99.5% IE at 2 g/L. Beyond this concentration, no significant change in IE was observed, indicating saturation. Potentiodynamic polarization tests were also conducted to study the individual effects of SDS and PEG on Cu and Au. The results showed that SDS effectively inhibited Cu corrosion but had a minimal impact on Au. In contrast, PEG significantly reduced the corrosion current density for both Cu and Au, with reductions of 99.5% and 95.1%, respectively.

Recent development of metal-organic frameworks as a novel flame-retardant in polymeric applications

Abstract The increasing concern regarding hazardous fires related to polymeric materials has prompted numerous research into eco-friendly flame retardants. in recent years metal-organic Frameworks (MOFs) have emerged as promising flame-retardant materials, characterized by metal-containing units linked to organic linkers to create strong and porous crystalline frameworks. The organic ligands make MOFs possess significant surface area and adsorption properties desirable for different applications including flame retardancy. This paper gathers many of the recently published to discuss the use performance of polymer composites with MOFs for flame retardancy in comparison with polymeric composite materials without MOFs. Besides, a comparison based on mechanical, physical, and thermal properties shows the effect of MOF on the total effectiveness of the polymeric composite materials. This paper is of great interest to both the readers involved in the sphere of heat-resistance materials, encompassing contemporary advanced composite materials used for dampening hazardous fires. Furthermore, prospective trends, including the integration of innovative fillers such as MOFs in rubber composites such as NBR (Nitrile Butadiene Rubber), EPDM (Ethylene Propylene Diene Monomer), and silicone rubber, are deliberated upon.

Utilization of Cobalt and its Oxide/Hydroxide Mediated by Ionic Liquids/Deep Eutectic Solvents as Catalysts in Water Splitting.

With the ever-growing global demand for sustainable energy solutions, hydrogen has garnered significant attention as a clean, efficient, and renewable energy source. In the field of hydrogen production, catalyst research stands out as one of the foremost areas of focus. In recent years, the preparation of electrocatalysts using ionic liquids (ILs) and deep eutectic solvents (DESs) has attracted widespread attention. ILs and DESs possess unique physicochemical properties and are recognized as green media as well as functional materials. Cobalt-based catalysts have proven to be efficient electrocatalysts for water splitting. Incorporating ILs or DESs into the preparation of cobalt-based catalysts offers a remarkable advantage by allowing precise control over their structural design and composition. This control directly influences the adsorption properties of the catalyst's surface and the stability of reaction intermediates, thereby enabling enhanced control over reaction pathways and product selectivity. Consequently, the catalytic activity and stability of cobalt-based catalysts can be effectively improved. In the process of preparing cobalt-based catalysts, ILs and DESs can serve as solvents and templates. Owing to the good solubility of ILs and DESs, they can efficiently dissolve raw materials and provide a special nucleation and growth environment, obtaining catalysts with novel-structures. The main focus of this review is to provide a detailed introduction to metal cobalt and its oxide/hydroxide derivatives in the field of water splitting, with a particular emphasis on the research progress achieved through the utilization of IL and DES. The aim is to assist readers in designing and synthesizing novel and high-performance electrochemical catalysts.

Density Functional Theory Study of the Crystal Structure and Infrared Spectrum of a Synthetized Ettringite Mineral

One of the most important hydration phases of Portland cement is ettringite, a calcium sulfo-aluminate mineral (Ca6Al2(OH)12(SO4)3·26H2O) showing a great capacity of adsorbing radionuclides and other contaminant cationic and anionic species, or incorporating them into its crystal structure. In this work, the X-ray diffraction pattern and infrared spectra of a synthetized ettringite sample are recorded and simulated, employing theoretical methods based on Density Functional Theory. Despite the complexity of this phase, the calculated structure, X-ray diffraction pattern and infrared spectrum are in excellent agreement with their experimental counterparts. Since the calculated and experimental spectra are consistent, the main infrared bands are assigned using a normal coordinate analysis, some of them being completely reassigned with respect to other experimental works. The good agreement found provides strong support for the computational methods employed towards their use for studying the surface adsorption properties and the incorporation of contaminations in its structure. The density of reactive groups at the surfaces of ettringite is reported, and the surface adsorption of water molecules is studied. These surfaces appear to be highly hydrophilic, in agreement with the experimental finding that the ettringite structure may include more water molecules, at least up to 27, one more than in its standard formula.

Unveiling Ion Dynamics in the Electric‐Double Layer Under Piezoionic Actuation of Chemo‐Mechanical Energy Harvesters

AbstractUnderstanding the ion dynamics within the electric double layer (EDL) is crucial for maximizing the potential of chemo‐mechanical energy harvesters. This study elucidates the electrochemical response of EDL to the compressive mechanical stimulation of carbon nanotube (CNT) yarns from the perspective of ion adsorption. The results revealed that H3O+ contributed to the ionic capacitance of the EDL by forming a polarized layer with Cl− on the outer Helmholtz plane. The unique molecular shape, compatible with spx hybridized orbitals of CNTs also enhance surface adsorption properties. In contrast, Cl− provides a strong electrostatic potential to the electrode, which has electronic structures incompatible with the spx hybridized orbitals of CNTs. The differing dynamic behaviors of these two ions jointly induce delamination of the cationic and anionic layers, as well as unipolarization of the EDL under mechanical compression of the microstructure. The ion dynamics revealed by multiscale simulations satisfactorily explain the experimentally observed high ion capacitance and energy conversion process of the HCl‐based EDL.

Synthesis of heterojunction BiVO4/MnO2 graphene ternary nanocomposites with enhanced photocatalytic activities through degradation of rhodamine B and tetracycline hydrochloride

Our research has resulted in synthesizing highly efficient BiVO4/MnO2 graphene ternary heterostructures prepared with a simple hydrothermal technique. These structures demonstrate exceptional performance in the photodegradation of rhodamine B (RhB) dye and tetracycline hydrochloride (TC). Adding MnO2 and graphene oxide significantly enhanced the absorption of visible light, photocatalytic activity, and surface area of the nanocatalyst. The prepared materials were characterized by XRD, SEM, BET, DRS, and PL spectroscopy. The PL spectra of G/MnBV-4 show less intensity and lower recombination rate, which is beneficial for photocatalytic activity. The as-synthesized G/MnBV-4 material exhibits outstanding photocatalytic activities toward the TC and RhB dye degradation under visible light irradiation. The reaction rate constant of G/MnBV-4 was estimated in the case of RhB and TC as 0.094 min−1 and 0.021 min−1 respectively, showcasing the material's high efficiency. The optimized material (BiVO4/MnO2 graphene) is stable and reusable, with only a 10 % reduction in removal efficiency after five consecutive cycles. Furthermore, the OH− and O2− are active species for removing organic pollutants. In contrast, holes are attributed to a lower effect. This study describes a photocatalytic approach to effectively removing the TC from waste bodies. The enhanced degradation efficiencies were ascribed to developing heterostructures and fast electron transfer between interfaces. Moreover, graphene increased photogenerated charge carriers' surface adsorption properties and charge separation efficiency. Hence, graphene works as an electron trapper and tuning bandgap energy, which plays a significant role in addition to photocatalytic activity.

High responsive Pd decorated low temperature α-MoO3 hydrogen gas sensor

The H2 gas adsorption properties, which are the most crucial concept for a gas sensor, of the 2-dimensional (2D) MoS2 are limited compared to its oxide form of 2D α-MoO3. On the other hand, it is straightforward to form high surface-to-volume ratio nanostructures with MoS2. In order to get the benefits of the large surface and better H2 adsorption properties for the H2 gas sensor, MoS2 film grown by the chemical vapor deposition (CVD) method was converted into MoO3 with a thermal oxidation process at 380 °C under oxygen-ambient conditions. The grown MoS2 film has indicated that it is formed from the coalesced MoS2 flakes. An ultra-high response of 3 × 106 at a relatively low temperature of 100 °C was achieved for as low as 800 ppm hydrogen concentration. The hydrogen gas sensing mechanism has been discussed in depth using the double injection model, similar to the electrochromic mechanism.

Surface characteristics and adsorption properties of polypropylene microplastics by ultraviolet irradiation and natural aging

The vast application and deep integration of plastic commodity with our human lives raise a great concern about the ubiquitous microplastics (MPs) in nature, yet the environmental behavior of MPs remain unclear. As a main type and candidate of MPs, pristine polypropylene MPs (PP-MP-Pris), as well as the influence of ultraviolet (UV) irradiation on the degree of aging and surface characteristics, were characterized quantitatively by Fourier infrared spectroscopy, scanning electron microscopy, contact angle meter, automatic specific surface area and pore analyzer and laser particle analyzer, with natural aged PP-MPs (PP-MP-Age) as comparison. The carbonyl index (CI) of UV aged PP-MPs (PP-MP-U) was increased with extension of exposure time, while biofilm with abundant functional groups and the maximum CI value were the characteristics of PP-MP-Age. Moreover, the adsorption capacity of PP-MP-U for crystal violet (CV) was increased and reached the maximum after 30 days, while that of PP-MP-Age was weakened, probably due to the enhanced hydrophilicity and the shedding of calcium carbonate (CaCO3) during the natural aging process, which was demonstrated by hydrochloric acid treatment, indicating the vital involvement of CaCO3. Moreover, the better fitting to PSO kinetics and Freundlich isotherm models indicated that the multilayered and non-homogeneous surface adsorption was acted as the rate-controlling step. Furthermore, the positive values of ΔGθ, ΔHθ and ΔSθ indicated that the adsorption was a non-spontaneous, endothermic process with increased degree of the freedom on the interface of PP-MPs and CV solution. The presence of divalent salts inhibited CV adsorption, demonstrating that electrostatic attraction played a major role in CV capture. The hydrophobic interaction, micropore filling, hydrogen bonding, and π - π conjugation were possible involved. This study is of great significance for better understanding the complex pollution of MPs and its potential environmental risks in the future.

Isotype BiVO4 heterostructure and the effect of photo-sono induced electron-hole pair

Owing to its suitable energy band and strong catalytic capacity, BiVO4 has received extensive attention in photocatalysis. Here, we suggest a straightforward approach to address the challenges of insufficient compatibility, poor charge transport characteristics, and limited surface adsorption properties commonly found in traditional BiVO4 photocatalysts. A heterojunction BiVO4 structure is developed by incorporating two distinct crystal phases within a single semiconducting material. A facile hydrothermal procedure is used to synthesize distinct crystalline phases of BiVO4 photocatalysts, viz., tetragonal, monoclinic, and monoclinic/tetragonal heterophase. The physicochemical characteristics of the pristine and isotype BiVO4 heterojunctions were characterized using various techniques. The photocatalytic activity of BiVO4 samples was examined by monitoring the degradation of rhodamine B (RhB). In order to boost the degradation reaction, ultrasonic sound waves are employed within the reaction medium. The present study examined the photocatalytic, sonocatalytic, and sonophotocatalytic activity of BiVO4 microcrystals in relation to the degradation of RhB dye. The results show that the crystalline phases of BiVO4 samples significantly influence the behaviour of photo-sono-induced charges. An interface in the monoclinic/tetragonal heterophase creates a spatial environment that facilitates charge transfer and enhances the separation of photo-sono-induced electron-hole pairs. The paper extensively examines the correlation between the behaviour of photo-sono-induced charge carriers and the level of sonophotocatalytic activity. This would provide greater insight into the intrinsic reasons for the enhancement in sonophotocatalytic activity.

Transforming crystal structures of cobalt molybdate to generate electron-rich sites for electrochemical detection of Pb(II)

BackgroundMost of the investigations on distinct crystal structures of catalysts are individually focused on the difference of surface functional groups or adsorption properties, but rarely explore the changes of active sites to affect the electrocatalytic performance. Catalysts with diverse crystal structures had been applied to modified electrodes in different electrocatalytic reactions. However, there is currently a lack of an essential understanding for the role of real active sites in catalysts with crystalline structures in electroanalysis, which is crucial for designing highly sensitive sensing interfaces. ResultsHerein, cobalt molybdate with divergent crystal structures (α-CoMoO4 and β-CoMoO4) were synthesized by adjusting the calcination temperature, indicating that α-CoMoO4 (800 °C) (60.00 μA μM−1) had the highest catalytic ability than β-CoMoO4 (700 °C) (38.68 μA μM−1) and α-CoMoO4 (900 °C) (29.55 μA μM−1) for the catalysis of Pb(II). It was proved that the proportion of Co(II) and Mo(IV) as electron-rich sites in α-CoMoO4 (800 °C) were higher than β-CoMoO4 (700 °C) and α-CoMoO4 (900 °C), possessing more electrons to participate in the valence cycles of Co(II)/Co(III) and Mo(IV)/Mo(VI) to boost the catalytic reduction of Pb(II). Specifically, Co(II) transferred a part of electrons to Mo(VI), promoting the formation of Mo(IV). Co(II) and Mo(IV), as the electron-rich sites, providing electrons to Pb(II), further accelerating the conversion of Pb(II) into Pb(0). SignificanceIn the process of detecting Pb(II), the CoMoO4 structures under different temperatures have distinct content of electron-rich sites Co(II) and Mo(IV). α-CoMoO4 (800 °C), with the highest content are benefited to detect Pb(II). This work is conducive to understanding the effect of the changes of active sites resulting from crystal transformation on the electrocatalytic performance, and provides a way to construct sensitive electrochemical interfaces of distinct active sites.

Surface properties, aggregation behavior and wettability of the mixed system of fluorocarbon cationic surfactant and hydrocarbon anionic surfactant in dilute solutions

Traditional perfluorooctane sulfonic acid (PFOS) fluorocarbon surfactants endangered human health and environment. Therefore, an environmentally friendly quaternary ammonium cationic fluorocarbon surfactant (PFAS-IEt) was synthesized, and surface activities, aggregation behavior, adsorption properties and wettability of PFAS-IEt/sodium n-octyl sulfate (SOS) mixtures in dilute solutions were systematically investigated. The results demonstrated that PFAS-IEt possessed excellent surface activity in aqueous solution. Surprisingly, its surface tension was only 15.33 mN/m and critical micelle concentration (CMC) was 0.002 mol/L. It could be used as a potential substitute for PFOS. In addition, PFAS-IEt had the good synergistic effect with SOS. The PTFE plate with low surface energy could be completely wetted by the binary compound solution at low concentration (0.04 mol/L) (contact angle was 0°), which was superior to the reported long chain quaternary ammonium non-ionic fluorocarbon surfactants (MN-2C9F19 and EN-2C9F19).

Metal-Organic Framework Nanomaterials as a Medicine for Catalytic Tumor Therapy: Recent Advances.

Nanomaterials, with unique physical, chemical, and biocompatible properties, have attracted significant attention as an emerging active platform in cancer diagnosis and treatment. Amongst them, metal-organic framework (MOF) nanostructures are particularly promising as a nanomedicine due to their exceptional surface functionalities, adsorption properties, and organo-inorganic hybrid characteristics. Furthermore, when bioactive substances are integrated into the structure of MOFs, these materials can be used as anti-tumor agents with superior performance compared to traditional nanomaterials. In this review, we highlight the most recent advances in MOFs-based materials for tumor therapy, including their application in cancer treatment and the underlying mechanisms.

Self-assembly of metal-polyphenolic network on biomass for enhanced organic contaminant capturing from water with a high cost-to-benefit ratio

Nanomaterials present a vast potential as functional materials in environmental engineering. However, there are challenges with nanocomplex for recyclability, reliable/stable, and scale-up industrial integration. Here, a versatile, low-cost, stable and recycled easily metal-polyphenolic-based material carried by wood powder (bioCar-MPNs) adsorption platform was nano-engineered by a simple, fast self-assembly strategy, in which wood powder is an excellent substrate serving as a scaffold and stabilizer to prevent the nanocomplex from aggregating and is easier to recycle. Life cycle analysis highlights a green preparation process and environmental sustainability for bioCar-MPNs. The metal-polyphenolic nanocomplex coated on the wood surface in bioCar-MPNs presents a remarkable surface adsorption property (1829.4 mg/g) at a low cost (2.4 US dollars per 1000 g bioCar-MPNs) for organic dye. Quartz crystal microbalance analysis (QCM) demonstrates an existing strong affinity between polyphenols and organic dyes. Furthermore, Independent Gradient Model (IGM) and Hirshfeld surface analysis reveal the presence of the electrostatic interactions, π-π interactions, and hydrogen bonding. Meanwhile, adsorption efficiency of bioCar-MPNs maintains over 95% in the presence of co-existing ions (Na+, 0.5 M). Importantly, the reasonable utilization of biomass for water treatment can contribute to achieving the high-value and resource utilization of biomass materials.

Sustainable and reusable probe-encapsulated porous poly(AMST-co-TRIM) monolithic sensor for the selective and ultra-sensitive detection of toxic cadmium(II) from industrial/environmental wastewater

This study focuses on a new type of fast responsive solid-state visual colorimetric sensor, custom engineered with dual-entwined porous polymer imbued with chromoionophoric 4-(sec-butyl)− 2-((5-mercapto-1,3,4-thiadiazol-2-yl)diazenyl)phenol (SMDP) probe for selective and ultra-sensitive colorimetric sensing of Cd(II). The polymer monolith, i.e., poly(aminostyrene-co-trimethylolpropanetrimethacrylate) denoted as poly(AMST-co-TRIM), is designed through a stoichiometric blending of monomer, crosslinker, and porogens leading to superior surface area, pore and adsorption properties for the voluminous incorporation of SMDP probe for target specific ion sensing. The porosity, surface and structural characteristics of the poly(AMST-co-TRIM)monolith and poly(AMST-co-TRIM)SMDP sensor are investigated using p-XRD, XPS, TG-DTA, FT-IR, BET/BJH, FE-SEM, HR-TEM, EDAX, and SAED techniques. The poly(AMST-co-TRIM)SMDP sensor reveals a frozen geometrical orientation of SMDP molecules to bind selectively with Cd(II), forming stable charge-transfer complexes by exhibiting transitional visible color shifts from light yellow to dark green (λmax 608 nm). The sensor imposes a linear response from 0–200 ppb, with quantification and detection limits of 0.95 and 0.28 ppb. The fabricated sensor material is cost-effective and versatile in its solid-state naked-eye sensing, with excellent reusability. The sensor performance has been verified using various environmentally contaminated water and commercial cigarette samples, with a recovery of ≥ 99.12% and an RSD of ≤ 1.95%, thus reflecting exceptional data reproducibility/reliability.

Assessment and modeling of mercury adsorption on carbon-based adsorbents prepared from Jacaranda mimosifolia and guava biomass via pyrolysis and hydrothermal carbonization

Abstract The mercury adsorption properties of carbon-based materials prepared from jacaranda (Jacaranda mimosifolia) and guava (Psidium guajava) seed wastes are reported and compared in this paper. These adsorbent samples were obtained via pyrolysis and hydrothermal carbonization. Mercury adsorption equilibrium was studied at pH 4 and 20–40 °C, and the adsorption enthalpy changes were calculated for all adsorbent samples. The results showed that jacaranda-based materials contained a higher amount of acidic functional groups than guava seed-based adsorbents, and consequently, their mercury adsorption properties were better. The surface area of these adsorbents was <10 m2/g thus being classified as low-porosity materials. Elemental analysis indicated that all adsorbents were mainly composed of oxygen (4–25%) and carbon (75–95%). The calculated adsorption capacities at saturation of the best adsorbent were 18.05–30.09 mg/g under the tested experimental conditions. Statistical physics calculations also indicated that the adsorption mechanism of HgCl2 species was multi-molecular and endothermic. Ligand exchange and van der Waals forces were involved in generating the mercury–adsorbent interface. These results highlight the importance of comparing and optimizing biomass thermochemical conversion routes to tailor the surface properties of adsorbents used for water purification.

Using Passive Microrheology to Measure the Evolution of the Rheological Properties of NIST mAb Formulations during Adsorption to the Air-Water Interface.

The development of novel protein-based therapeutics, such as monoclonal antibodies (mAbs), is often limited due to challenges associated with maintaining the stability of these formulations during manufacturing, storage, and clinical administration. An undesirable consequence of the instability of protein therapeutics is the formation of protein particles. MAbs can adsorb to interfaces and have the potential to undergo partial unfolding as well as to form viscoelastic gels. Further, the viscoelastic properties may be correlated with their aggregation potential. In this work, a passive microrheology technique was used to correlate the evolution of surface adsorption with the evolution of surface rheology of the National Institute of Standards and Technology (NIST) mAb reference material (NIST mAb) and interface-induced subvisible protein particle formation. The evolution of the surface adsorption and interfacial shear rheological properties of the NIST mAb was recorded in four formulation conditions: two different buffers (histidine vs phosphate-buffered saline) and two different pHs (6.0 and 7.6). Our results together demonstrate the existence of multiple stages for both surface adsorption and surface rheology, characterized by an induction period that appears to be purely viscous, followed by a sharp increase in protein molecules at the interface when the film rheology is viscoelastic and ultimately a slowdown in the surface adsorption that corresponds to the formation of solid-like or glassy films at the interface. When the transitions between the different stages occurred, they were dependent on the buffer/pH of the formulations. The onset of these transitions can also be correlated to the number of protein particles formed at the interface. Finally, the addition of polysorbate 80, an FDA-approved surfactant used to mitigate protein particle formation, led to the interface being surfactant-dominated, and the resulting interface remained purely viscous.

Theoretical study on the effects of alloying elements on oxygen-adsorption properties of the Ti2AlNb surface

Ti2AlNb-based alloys own excellent mechanical properties and have great application potential in aero-engine. However, their high temperature oxidation resistance should be improved for long-serving process. Alloying is one of the most effective ways to improve their oxidation resistance properties. The substitution stability and segregation property of the alloying elements on the Ti2AlNb surface are first studied via first principles calculations. Twelve alloying elements of the Si, Sc, V, Cr, Mn, Fe, Y, Zr, Mo, Hf, Ta and W are considered in this work. The effects of alloying elements on the oxygen adsorption properties of Ti2AlNb surface are then studied. The Si, Sc, Y, Zr and Hf elements prefer to occupy the surficial slab indicating a strong segregation phenomenon, while others have not such a tendency. The influence of these alloying elements on the adsorption behaviors of oxygen atom on the Ti2AlNb surface was calculated. It was found that the adsorption energy of oxygen increased in alloying element contained system comparing with the undoped system. It is most obvious when the alloying element substitution for the Ti, the adsorption energy increase more than 0.5 eV. The alloying elements can help to inhibit the adsorption of oxygen on Ti2AlNb surface by affecting the bonding characteristics of oxygen, and thereby improving the oxidation resistance of the alloy.

Adsorptive removal of norfloxacin from aqueous solutions by Fe/Cu CNS-embedded alginate-carboxymethyl cellulose-chitosan beads.

The pervasive application of pharmaceuticals in aquatic environments has acquired much focus owing to their nonbiodegradability and eco-toxicity, which might readily destroy the ecological balance. Developed chitosan-coated Fe-Cu CNS alginate-CMC beads (NBs) were utilized in this study to adsorb the quinolone antibiotic norfloxacin (NOR) from water for the first time. Under ideal conditions (CNOR: 20 mg L-1; sorbent conc.: 2000 mg L-1; sorbent dosage: 0.15 g; interaction time: 300 min; solution pH: 6.0), about 86% NOR removal was achieved through batch mode. The removal performance for NOR was examined concerning pH, ionic strength, and coexisting micropollutants. The greatest NOR removal was attained on NBs with the greatest Langmuir adsorption capacity of 355 mg g-1 due to numerous mechanisms such as sorbent pore filling, electrostatic attraction, π-π attraction and hydrogen bonding. Studies using environmentally significant algae, such as Scenedesmus sp., to analyze the residual toxicity of treated NOR solution revealed a significant reduction in their toxic effects. Current research has demonstrated that nanocomposite beads are an excellent wastewater treatment material with promising industrial applications due to their ease of synthesis, exceptional surface adsorption properties, stability, and environmentally friendly reaction.

Study the effect of L-arginine and L-tyrosine on the surface adsorption and micellar properties of long-chain imidazolium-based ionic liquid

The interfacial and bulk properties of the aqueous solutions of the long chain imidazolium-based ionic liquid (IL) viz. 1-decyl-3-methylimidazolium tetrafluoro borate [Dmim][BF4] within L-Arginine and L-Tyrosine have been investigated by surface tension, UV–Visible, fluorescence, viscosity, and FTIR spectroscopy. The surface activity of the [Dmim][BF4]-L-Try was more active on the surface than the [Dmim][BF4]-L-Arg. It's noteworthy to notice that the CMC values of [Dmim][BF4] in water and aqueous amino acids obtained by the UV–Vis spectroscopy method are the same as those determined using the surface tension approach. The additions of AAs function to minimize the CMC values of [Dmim][BF4] as well as the interfacial parameters. An IR probe and the v(C-N) region, which is sensitive to the microenvironment, are used to determine the structure and hydrogen-bonding properties of the IL and two amino acids, specifically the L-Arginine and L-Tyrosine binary systems. The excess IR spectra of the v(C-N) region exhibit positive peaks, which show that the mixing process was insufficient and that complexes with hydrogen bonds had formed in the mixes. The findings could be applied in the pharmaceutical industry to stabilize proteins and prevent protein aggregation.