New combined experimental and DFT studies for adsorption of sole Azo-dye or binary cationic dyes from aqueous solution.

Textile-toxic synthetic dyes, which possess complex aromatic structures, are emitted into wastewater from various branches. To address this issue, the adsorption process was applied as an attractive method for the removal of dye contaminants from water in this article. An unprecedented integrated experimental study has been carried out, accompanied by theoretical simulations at the DFT-B3LYP/6-31G (d,P) level of theory to investigate how single Maxilon Blue GRL (MxB) dye or and its mixture with MG (Malachite Green) dyes interact with the adsorbent and compare the obtained results with the data obtained through experimentation. The full geometry optimization revealed the physical adsorption of dyes on the Al2O3 surface. Non-linear optical properties (NLO) results emphasized that the complex MG-Al2O3-MxB is a highly promising material in photo-applications, and the adsorbed binary system is energetically more favorable compared to the adsorbed sole dye system. The experimental results for (MxB) dye adsorption onto γ-Al2O3 affirmed that the optimum conditions to get more than 98% uptake were at dye concentration 100 ppm, pH 10, adsorbent content 0.05 g, and equilibrium time only 20 min. The kinetic and isothermal studies revealed that the adsorption accepted with the pseudo-second-order and Freundlich isotherm model, respectively. The removal efficiency of the mixture of MxB and MG dyes was the highest but did not change clearly with increasing the % of any of them. The details of the interaction mechanisms of the sole and binary dyes were proven.

Facile green synthesis route for new ecofriendly photo catalyst for degradation acid red 8 dye and nitrogen recovery.

This study novelty is that new photo catalyst prepared from sustainability low cost precursors. Dark red color hydrogel composites have been easily prepared from gelatin biopolymer using a simple sol-gel method. Gelatin doped by cobalt chloride, and silver nanoparticles (SNPs) in the presence of traces amount of sodium dodecyl sulfate surfactant and calcium chloride. Water-insoluble Gelatin composites are thermally stable photocatalysts for the degradation of toxic anionic acid red 8 dye. Promising photodynamic activity confirmed by fluorescence emission at λmax 650 nm. Optical absorption in Vis. light enhanced photo catalytic activity. Silver nanoparticles enhanced crystallinity, and improved optical properties and porosity. Dopants by CoCl2 and silver nanoparticles increased band gap of gelatin composites from (1.82 to 1.95) indicating interfacial charge separation. Low band gaps improved photo catalytic activity. Optical band gaps (Eg) lower than 2.0 eV indicates high catalytic activity in the photo degradation acid red 8 dye using Vis. light, wavelength 650 nm. Percent removal efficiency (%Re) of the dye at 500 ppm initial concentration, pH 1, contact time 30 min., and 0.20 g L-1 dose photo catalyst reached 95%. pH not affects removal efficiency. So, gelatin composites removed AR8 dye by photodegradation mechanism rather than adsorption due to photodynamic activity. Kinetics of photodegradation followed pseudo first order kinetic with rate constant k1 5.13 × 10-2 min.-1 Good electrical conductivity and magnetic properties (effective magnetic moment (µeff 4.11 B.M) improved dye degradation into simple inorganic species. Nutrients NH4+, and NO3- degradation products recovered by using alumina silicate clay via a cation exchange mechanism.

Tenability on schiff base Hydrazone derivatives and Frontier molecular orbital.

Context hydrazine compounds based on 1,3,5-triazine were synthesised and their molecular structures were characterised by elemental analysis, Electronic, IR and 1H NMR spectra. The spectral behaviour of the newly prepared compounds in organic solvents of different polarities was extensively studied and correlated to the molecular structure. In this study, 1,3,5-Triazine derivatives (L1, L6, L7, L8) have been subjected to theoretical studies using the Semi-empirical PM3 quantum chemical method. The physical-chemical properties of some Hydrazone derivatives are determined theoretically. The molecular geometry, the Highest Occupied Molecular Orbital (HOMO) - Lowest Unoccupied Molecular Orbital (LUMO) energy gap, molecular hardness (η), ionisation energy (IE), Electron affinity and total energy were analysed, and applications as biological effects were done.

A Comparative Analysis of Pervaporation and Membrane Distillation Techniques for Desalination Utilising the Sweeping Air Methodology with Novel and Economical Pervaporation Membranes.

This study used the sweeping air approach to conduct a comparative analysis of pervaporation (PV) and membrane distillation (MD) in the context of desalinating saline/hypersaline water. An experimental setup of the sweeping air arrangement was designed and built at a laboratory size to conduct the research. The desalination process using PV used innovatively designed cellulose acetate (CA) membranes specifically adapted for this purpose. Conversely, in the studies involving MD, hydrophobic polytetrafluoroethylene (PTFE) membranes were utilised. CA membranes were fabricated in our laboratory using the phase inversion approach. The physicochemical characteristics of the membranes were assessed using many methodologies, including FTIR spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), contact angle measurement, and water uptake analysis. This facilitated a more comprehensive comprehension of the impact of the alkaline treatment on these features. The variables that were examined included the kind of membrane, the pore size of the PTFE membrane, the composition of the casting solution of CA, the concentration of the feed solution, the temperature of the feed, and the temperature of the condenser cooling water. The morphologies of the membranes were examined using SEM. The study's findings indicated that the use of MD resulted in a greater flow and a remarkable percentage of salt rejection (% SR). Furthermore, it was observed that the flux was positively correlated with the feed temperature, while it exhibited an inverse relationship with the cooling water temperature. Moreover, it was observed that the impact of the pore size of the PTFE membrane on the desalination process was found to be minimal. The most optimal outcomes obtained were 13.35 kg/m2 h with a percentage salt rejection (% SR) of 99.86, and 17.96 kg/m2 h with a % SR of 99.83 at a temperature of 70 °C, while using MD and PV technologies, respectively. Furthermore, both methods demonstrated the capability to desalinate very salty solutions with a salinity level of up to 160 g/L, thereby yielding potable water in a single step.

Poly (Vinyl Alcohol) Hydrogels Boosted with Cross-Linked Chitosan and Silver Nanoparticles for Efficient Adsorption of Congo Red and Crystal Violet Dyes.

In our previous work, three different weight ratios of chitosan/PVA (1:3, 1:1, and 3:1) were blended and then cross-linked with trimellitic anhydride isothiocyanate (TAI) at a concentration depending on their chitosan content, obtaining three hydrogels symbolized by H13, H11, and H31. Pure chitosan was cross-linked with TAI, producing a hydrogel symbolized by H10. Further, three H31-based silver nanoparticles composites (H31/AgNPs1%, H31/AgNPs3%, and H31/AgNPs5%) were also synthesized. They were investigated, for the first time in this study, as adsorbents for Congo Red (CR) and Crystal Violet (CV) dyes. The removal efficiency of CR dye increased with increasing H10 content in the hydrogels, and with increasing AgNP content in the composites, reaching 99.91% for H31/AgNPs5%. For CV dye, the removal efficiency increased with the increase in the PVA content. Furthermore, the removal efficiency of CV dye increased with an increasing AgNP content, reaching 94.7% for H31/AgNPs5%. The adsorption capacity increased with the increase in both the initial dye concentration and temperature, while with an increasing pH it increased in the case of CV dye and decreased in the case of CR dye. The adsorption of CV dye demonstrated that the Freundlich isotherm model is better suited for the experimental results. Moreover, the results were best fitted with pseudo-second-order kinetic model.

A Comparison of Capacitive Deionization and Membrane Capacitive Deionization Using Novel Fabricated Ion Exchange Membranes.

Another technique for desalination, known as membrane capacitive deionization (MCDI), has been investigated as an alternative. This approach has the potential to lower the voltage that is required, in addition to improving the ability to renew the electrodes. In this study, the desalination effectiveness of capacitive deionization (CDI) was compared to that of MCDI, employing newly produced cellulose acetate ion exchange membranes (IEMs), which were utilized for the very first time in MCDI. As expected, the salt adsorption and charge efficiency of MCDI were shown to be higher than those of CDI. Despite this, the unique electrosorption behavior of the former reveals that ion transport via the IEMs is a crucial rate-controlling step in the desalination process. We monitored the concentration of salt in the CDI and MCDI effluent streams, but we also evaluated the pH of the effluent stream in each of these systems and investigated the factors that may have caused these shifts. The significant change in pH that takes place during one adsorption and desorption cycle in CDI (pH range: 2.3-11.6) may cause problems in feed water that already contains components that are prone to scaling. In the case of MCDI, the fall in pH was only slightly more noticeable. Based on these findings, it appears that CDI and MCDI are promising new desalination techniques that has the potential to be more ecologically friendly and efficient than conventional methods of desalination. MCDI has some advantages over CDI in its higher salt removal efficiency, faster regeneration, and longer lifetime, but it is also more expensive and complex. The best choice for a particular application will depend on the specific requirements.

Preparation and Characterization of a New Bis-Uracil Chitosan-Based Hydrogel as Efficient Adsorbent for Removal of Anionic Congo Red Dye.

A new hydrogel, based on chitosan crosslinked with 2-chlorophenyl-bis(6-amino-1,3-dimethyluracil-5-yl) methane, (2Clph-BU-Cs), has been successfully created. Various instrumental techniques such as elemental analysis, FTIR, SEM, and XRD were used to prove its structure. Its removal efficiency for anionic Congo red (CR) dye under different conditions for industrial wastewater treatment was studied. For optimizing the conditions to maximize CR dye removal, the impacts of temperature, contact time, pH, and initial concentration of the dye on adsorption capacity were investigated. The removal of the dye was pH-dependent, with a much higher value achieved at pH 4 than at pH 7 and 9. The maximum adsorption capacity of the hydrogel was 93.46 mg g-1. The model of adsorption process was fitted to the pseudo-second-order kinetic model. The intraparticle diffusion demonstrated the multi-step nature of the adsorption process. The thermodynamic results showed that the adsorption process was endothermic because of the positive value of enthalpy (43.70 kJ mol-1). The process of adsorption at high temperatures was spontaneous, according to the values of ∆G0. An increase in randomness was seen in the value of ∆S°. Generally, the investigated hydrogel has the potential to be used as a promising effective reusable adsorbent for industrial wastewater remediation.

Design, Synthesis, and Characterization of Novel Bis-Uracil Chitosan Hydrogels Modified with Zinc Oxide Nanoparticles for Boosting Their Antimicrobial Activity.

A new series of hydrogels was successfully prepared by incorporating various substituted bisuracil (R-BU) linkages between chitosan Schiff's base chains (R-BU-CsSB) and between chitosan chains (R-BU-Cs). After protection of the amino groups of chitosan by benzaldehyde, yielding chitosan Schiff's base (CsSB), the reaction with epichlorohydrin was confined on the -OH on C6 to produce epoxy chitosan Schiff's base (ECsSB), which was reacted with R-BU to form R-BU-CsSB hydrogels, and finally, the bioactive amino groups of chitosan were restored to obtain R-BU-Cs hydrogels. Further, some R-BU-Cs-based ZnO nanoparticle (R-BU-Cs/ZnONPs) composites were also prepared. Appropriate techniques such as elemental analysis, FTIR, XRD, SEM, and EDX were used to verify their structures. Their inhibition potency against all the tested microbes were arranged as: ZnONPs bio-composites > R-BU-Cs hydrogels > R-BU-CsSB hydrogels > Cs. Their inhibition performance against Gram-positive bacteria was better than Gram-negative ones. Their minimum inhibitory concentration (MIC) values decreased as a function of the negative resonance effect of the substituents in the aryl ring of R-BU linkages in the hydrogels. Compared with Vancomycin, the ZnONPs bio-composites showed superior inhibitory effects against most of the tested Gram-negative bacteria, all inspected Gram-positive ones, and all investigated fungi.

Prospects of Polymeric Nanocomposite Membranes for Water Purification and Scalability and their Health and Environmental Impacts: A Review.

Water shortage is a major worldwide issue. Filtration using genuine polymeric membranes demonstrates excellent pollutant separation capabilities; however, polymeric membranes have restricted uses. Nanocomposite membranes, which are produced by integrating nanofillers into polymeric membrane matrices, may increase filtration. Carbon-based nanoparticles and metal/metal oxide nanoparticles have received the greatest attention. We evaluate the antifouling and permeability performance of nanocomposite membranes and their physical and chemical characteristics and compare nanocomposite membranes to bare membranes. Because of the antibacterial characteristics of nanoparticles and the decreased roughness of the membrane, nanocomposite membranes often have greater antifouling properties. They also have better permeability because of the increased porosity and narrower pore size distribution caused by nanofillers. The concentration of nanofillers affects membrane performance, and the appropriate concentration is determined by both the nanoparticles' characteristics and the membrane's composition. Higher nanofiller concentrations than the recommended value result in deficient performance owing to nanoparticle aggregation. Despite substantial studies into nanocomposite membrane manufacturing, most past efforts have been restricted to the laboratory scale, and the long-term membrane durability after nanofiller leakage has not been thoroughly examined.

An Investigation into a Miniature Saltless Solar Pond.

A simple, miniature saltless Solar Pond (SP) was designed and constructed in the present work. It consisted of a Plexiglas container with a square cross-section, within which cruciform baffles were suspended in the upper half of the pond, and copper coil tubing was fitted in the middle of the lower zone to function as a heat exchanger without disturbing the pond's inertia. Different variables' effect on the water's temperature rise at various vertical locations within the pond were investigated. These variables included the presence of the cruciform baffles, the inclination of a mirror fixed to the top rim of the pond, a glass transparent cover (GC), and the presence or absence of a gel thickening material to increase the water viscosity inside the SP, the climatic conditions, and the presence of glass wool (GW) in the lower section of the SP. For an experiment, an estimated energy balance was performed, and the thermal storage efficiency was calculated. The best obtained thermal storage efficiency was 32.58% in the presence of the cruciform baffles, a 45° inclination of a mirror fixed to the top rim of the SP, at an ambient temperature of 30 °C on a calm, sunny day with a wind speed of 7 km/h.

Macro-Reticular Ion Exchange Resins for Recovery of Direct Dyes from Spent Dyeing and Soaping Liquors.

Dyes are a major class of organic pollutants that are well-known for their harmful impact on aquatic life and humans. Several new strategies for removing colours from industrial and residential effluents have recently emerged, with adsorption being the best option. The current study looked at the recovery of direct dyes from aqueous streams for reuse using macro-reticular ion exchange resins (IERs). The investigation includes dyeing single jersey cotton grey textiles with direct dyes from the Isma dye Company in Kafr El Dawar, Egypt. After centrifuging and separating the supernatant liquid, solutions from thirteen different dyes, produced at an average concentration between the wasted and soaping liquor concentrations, were calculated spectrophotometrically from the first dyeing trials. Kinetic data were well fitted with pseudo-second-order rate kinetics. The amounts of dye retained by the anion exchangers increased with a rise in temperature in the case of Strong Base Resin (SBR) and vice versa for Weak Base Resin (WBR). Batch adsorption experiments with SBR and WBR were conducted for each dye, and both Freundlich and Langmuir isotherms were constructed. It was found that adsorption obeyed both isotherms, that monolayer adsorption took place, and that the dye molecular weight, structure, and solubility, as well as the type of anionic resin used, had varying effects on the extent of absorption. The monolayer sorption capacities Q0 determined from the Langmuir isotherm model for the strongly and weakly basic anion exchangers were found to be 537.6 and 692 mg/g for Direct Yellow RL, respectively. As a result, Yellow RL exhibited the greatest adsorption on both SBR and WBR. Orange GRLL, Blue 3B, and Congo Red, on the other hand, were the poorest colours absorbed by the IERs, whereas Blue RL demonstrated good adsorption by SBR and accelerated adsorption by WBR. Most of the dyes may be recovered and reused in this manner.

Synthesis and Characterization of Novel Uracil-Modified Chitosan as a Promising Adsorbent for Efficient Removal of Congo Red Dye.

Novel Uracil-modified chitosan (UCs) adsorbent has successfully been synthesized through a four-step method during which the amino groups of chitosan have been protected, then epoxy nuclei have been incorporated, afterwards the latter have been opened using 6-amino-1,3-dimethyl uracil, and finally the amino groups have been regained via removing the protection. Its structure was checked using FTIR, XRD and SEM techniques. The adsorption capacity of UCs for anionic Congo Red (CR) dye was studied under various conditions. It decreased significantly with increasing the solution pH value and dye concentration, while increased with increasing temperature. The adsorption of UCs for CR dye at different temperatures, solution pH and dye concentrations fitted to the kinetic model of pseudo-second order and Elovich model. The intraparticle diffusion model showed that the adsorption process involves multi-step process. The isotherm of CR dye adsorption by UCs conforms to the Langmuir isotherm model indicating the monolayer nature of adsorption. The maximum monolayer coverage capacity, qmax, was 434.78 mg g-1. Studying the thermodynamic showed that the adsorption of CR dye onto UCs was endothermic as illustrated from the positive value of enthalpy (21.37 kJ mol-1). According to the values of ΔG°, the adsorption process was spontaneous at all selected temperatures. The value of ΔS° showed an increase in randomness for the adsorption of CR dye by UCs. The value of activation energy was 18.40 kJ mol-1.

Kinetics, Isotherm and Thermodynamic Studies for Efficient Adsorption of Congo Red Dye from Aqueous Solution onto Novel Cyanoguanidine-Modified Chitosan Adsorbent.

Novel Cyanoguanidine-modified chitosan (CCs) adsorbent was successfully prepared via a four-step procedure; first by protection of the amino groups of chitosan, second by insertion of epoxide rings, third by opening the latter with cyanoguanidine, and fourth by restoring the amino groups through elimination of the protection. Its structure and morphology were checked using Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and scanning electron microscopy (SEM) techniques. The adsorption capacity of CCs for Congo Red (CR) dye was studied under various conditions. It decreased significantly with the increase in the solution pH value and dye concentration, while it increased with increasing temperature. The adsorption fitted to the pseudo-second order kinetic model and Elovich model. The intraparticle diffusion model showed that the adsorption involved a multi-step process. The isotherm of CR dye adsorption by CCs conforms to the Langmuir isotherm model, indicating the monolayer nature of adsorption. The maximum monolayer coverage capacity, qmax, was 666.67 mg g-1. Studying the thermodynamic showed that the adsorption was endothermic as illustrated from the positive value of enthalpy (34.49 kJ mol-1). According to the values of ΔG°, the adsorption process was spontaneous at all selected temperatures. The value of ΔS° showed an increase in randomness for the adsorption process. The value of activation energy was 2.47 kJ mol-1. The desorption percentage reached to 58% after 5 cycles. This proved that CCs is an efficient and a promising adsorbent for the removal of CR dye from its aqueous solution.

Synthesis and characterization of novel trimellitic anhydride isothiocyanate-cross linked chitosan hydrogels modified with multi-walled carbon nanotubes for enhancement of antimicrobial activity.

Novel trimellitic anhydride isothiocyanate was successfully synthesized and utilized in various concentrations to obtain four novel cross linked chitosan hydrogels H1-H4. Three multi-walled carbon nanotube (MWCNT) biocomposites based on H1 were also prepared. Their structures were proven by elemental analysis, FTIR, XRD, SEM and TEM. They were found to be pH- and temperature-responsive materials. Their swell abilities appreciably depend on their cross linking moiety contents and MWCNTs concentration. They are more potent against Bacillis subtilis, Streptococcus pneumoniae, Escherichia coli, Pseudomonas aeruginosa, Geotrichum candidum, Candida albicans, Aspergillus fumigatus, and Syncephalastrum racemosum than chitosan as judged by their greater inhibition zone diameters and their lower minimum inhibitory concentration (MIC) values. Their antimicrobial activities increased with increasing their cross linking moiety contents. They showed a better potency against Gram-positive than Gram-negative bacteria. The hydrogel H4 and H1/MWCNT composites have comparable or even higher activities than the reference bactericides or fungicides against some of tested microbes. Thus, combination between chitosan and the functionalized groups of the incorporated cross linker as well as MWCNTs in one system has efficiently improved the chitosan features. It is a good way for attaining adequate systems as antimicrobial agents that can be taken as promising candidates in biomedical fields.