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More aggressive reservoir conditions, such as higher concentrations of CO2 corrosive gases, have a massive effect on corrosion. Moreover, additional aqueous species, such as organic acids, have complicated the conditions and enhanced corrosion to the maximum rate. This study investigates and screens three commercial corrosion inhibitors on their performance in mitigating corrosion at welded areas of carbon steel in high CO2 conditions with the presence of organic acids. These investigations were conducted via chemical elucidations to study the functional groups present in the compounds that affect the inhibition performance and the electrochemical measurements to evaluate the inhibition activities and efficiency of these commercial inhibitors under extreme conditions of high CO2 and organic acids. The results indicated that only CT5727 and CT17906 gave a high inhibition efficiency of 90% in the absence and presence of organic acid, with CT5727 giving the lowest corrosion rate of 0.038 mmpy in the absence of organic acid, while CT17906 gave the lowest corrosion rate of 1.00 mmpy in organic acid condition. On the other hand, D4305 gave the worst inhibition performance under both conditions. The elucidation of these inhibitors also found that specific functional groups such as hydroxy, carboxylic acid, alkyl and alkene presence in the structure were believed to affect the inhibition performance of these commercial inhibitors in mitigating corrosion. These could be used as a future reference for the new development of corrosion inhibitors in similar conditions.

A high surface area adsorbent, such as MOFs, is an attractive option to evacuate heavy metals from wastewater. However, due to the possibility of the MOF structure collapsing when exposed to water, the stability and selectivity of MOFs for wastewater treatment remain a debatable task. Depending on the application, it has been shown that the consolidation of IL into MOF could improve the stability and reusability of pure MOF; nevertheless, research on the molecular interactions between the MOF framework and IL is still lacking. The stability, compatibility, and selectivity of this hybrid material are significantly influenced by the fundamental interactions between the MOFs and ILs moieties (cation and anion molecules), particularly the sorts of interactions. In this work, we focused on the topological properties of ILs and utilization of molecular docking calculations to assess the binding energy (ΔGbind) and binding affinity between UIO66 with TFSI-imidazole and TFSI-pyridinium ILs studied. The properties of ILs such as aromaticity of the structures, bond critical point (BCP), and electrostatic potential map surface were carried out using the Gaussian and Multiwfn software while the binding energies were computed using the AutoDock software to identify particular binding sites for IL toward MOF. The Autodock software's default setting was used to prepare all of the structures. To determine the binding locations of MOF, the IL was successively incorporated into the MOF pores inside the grid box of 90 x 90 x 90 Å (x, y, and z) dimensions. The results showed that both ILs; TFSI-imidazole, and TFSI-pyridinium IL, interacted favorably with the MOFs, having binding energies varying from -4.12 to -8.60 kcal mol-1. The stability of UIO66-ILs system increases with the addition of anion and cation. According to docking molecular structures, both cation and anion tend to bind in the corner of the MOF pore, which is in line with the previous work.

In this study, a series of mesoporous silica nanoparticle (MSN) was successfully synthesized using different ionic liquids (ILs) as a template. Five ILs and a surfactant with different alkyl side chains and types of anion namely 1-dodecyl-3-methylimidazolium iodide ([C12mim][I]), 3-diethylamino propanol vanillate (DV), 2-butylamino ethanol salicylate (BS), 3-diethylamino propanol salicylate (DS), 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([bmim][NTf2]) and hexadecyltrimethylammonium bromide (CTAB) were used. All MSNs produced have broad peaks, indicating mesoporous silica in amorphous form as observed by XRD while the morphology of MSN showed the agglomeration of particles and due to parallel arrangement pores size in both for FESEM and HRTEM. The MSNs are amorphous and displayed Type IV BET isotherm with H2 hysteresis loops which is a typical isotherm for mesoporous materials and the highest surface area obtained was 638 m2/g. The study on uptake and release of ibuprofen and quercetin were carried out, where ibuprofen showed higher drug uptake compared to quercetin due to better interaction of MSN with drug molecules. The drug release conducted at 48 h indicates 33.1% of ibuprofen and 38.4% quercetin released. It can be indicated that MSN-BS is the best for drug loading and release. Drugs release kinetics study indicated that the release process follows the Korsmeyer peppes model. The best efficiency of drug loading for MSN-BS/IBU and MSN-BS/QUE was at 48 h and 25 °C with 250 rpm stirring rate for both IBU and QUE, respectively.

The formation of foam due to the injection of surfactant foam in FAWAG causes significant problems in the oil well production and separation facilities. The excessive foam can lead to the reduction of the separator capacity as well as its efficiency. A defoamer is needed to break and destroy the foam in the separator. There are many commercially available defoamer agents in the market, but not all defoamers are suitable for every application. For this reason, four modified silicone-based defoamers were successfully synthesized and characterized based on the data obtained from the screening process using various commercial defoamers. The performance of modified defoamers was evaluated using TECLIS FoamScan that imitate real conditions of treatment. The results show that all four of the modified silicone-based defoamers, especially amide-terminated-modified defoamers (S2) showed excellent performance as a defoaming agent to mitigate foam in specific conditions. The best-case condition for the modified defoamer to perform was at a high temperature (60 °C), gas flow rate of 1.0 L/min, and low ration concentration of the surfactant to brine (30:70). The study on the bubble count and distribution using a KRUSS Dynamic Foam Analyzer revealed that S2 excellently contributes to the formation of unstable foam that can fasten foam destruction in the foaming system.

Lignin, a readily available form of biomass with a potential source of aromatic chemical compounds, has not been fully utilized due to its complex structure. Hence, this study aims to elaborate and optimize the effects of parametric microwave conditions for the catalytic degradation of lignin model compounds. In addition to that, 41 types of imidazolium-based Ionic liquids were employed for the conversion of lignin model compounds such as guaiacol and benzyl phenyl ether. The microwave-assisted conversion of lignin model compounds in imidazolium-based ionic liquids was performed at optimum applied microwave power 700 W and 30-min irradiation time. The percentages conversion and yield were quantified using high-performance liquid chromatography (HPLC) analysis. Results revealed that the chloride anion-based ionic liquids exhibited better nucleophilic behavior and catalyzed the cleavage of ether-based compounds efficiently under microwave irradiation. Among the imidazolium-based ionic liquids, 1H-methylimidazolium chloride ([1H-MIM][Cl]) exhibited better performance with guaiacol conversion and catechol yield of 99% and 81%, respectively. Therefore, the microwave-assisted technique was found to be more promising than conventional methods for the ionic liquid-based catalytic degradation of lignin model compounds.

Solvation free energy of six choline based ILs were computed under molecular dynamics (MD) simulation using Bennet Acceptance Ratio (BAR) method. H2S removal from the natural gas can be accomplished by absorption process using a solvent. Degree elimination of gases in liquid can be estimated by excess chemical potential (μex), Henry’s law constant (kH), enthalpy (hex), and entropy (sex). The Optimised Potential Liquids Simulation (OPLS) force fields used for ILs were validated against experimental density in order to get valid results of solvation free energy. The percentage error of the predicted density of six choline based ILs were below than 2.0% which is a good agreement with the previous study. The highest value of kH was 109.23 atm gained by choline thiocyanate [Chl][tcy] and the lowest value of kH was 23.25 atm obtained by choline acetate [Chl][act]. There are many features that influence the solubility of H2S for example length of alkyl chain, free volume effect, molar density, type of anions and hydrogen bonding interaction. In order to understand the behaviour of H2S molecules in ILs system, the radial distribution function (RDF) of H2S-ILs and RDF for specific atom were analysed. Basically, the shorter the alkyl chain, increase in molar density of ILs, reduce the free volume thus provide less space for H2S to occupy and decrease insolubility.

A compatibility and stability of Isoreticular Metal Organic Framework (IRMOF-1) impregnated with choline based ionic liquids (ILs) are studied by molecular dynamic simulation. Among three proposed IL/IRMOF-1 hybrid composites, cholinium formate, ([Chl][Fm]) is nominated as the best IL to be incorporated with IRMOF-1 since it shows the lowest RMSD value (0.502 nm, 0.637 nm, 0.923 nm) at three IL/IRMOF-1 w/w ratio (0.4%, 0.8% and 1.2%) respectively and become representative to all three ILs. Oxygen atom in the bridging carboxyl group shows the most flexible atom through RMSF analysis since it shows the highest fluctuation (1.001 nm) at WIL/IRMOF-1 = 0.4%. The RDF shows that the interaction between [Chl]+ and [Fm]− is higher in composite phase compare to bulky phase due to confinement effect of IRMOF-1. Both [Chl]+ and [Fm]− seem to be preferred to locate around carboxylate group inside the IRMOF-1 whereby [Fm]− shows the dominant interaction and strongly interacts with IRMOF-1 compared to [Chl]+. In terms of mobility, the cation shows high mobility with SDF value of 0.0419 nm2 in which mobility is expected to be increased with increasing of ILs ratio (0.4%, 0.8% and 1.2%) respectively. Intensity of the ions population around IRMOF-1 is interpreted by density map which is in agreement with the RDF analysis. Finally, the stability of the IRMOF-1 is confirmed by the radius of gyration (Rg) analysis in which 0.4% ILs shows the most stable conformation with the lowest Rg value = 1.667 nm that is in consistent with the RMSD analysis. Overall, the structural stability of IRMOF-1 is well interpreted and impregnation of ILs literally increase the stability of framework at lower IL/IRMOF-1 w/w ratio.

The purpose of this study is to assess water–polymer interaction in synthesized starch-derived superabsorbent polymer (S-SAP) for the treatment of solid waste sludge. While S-SAP for solid waste sludge treatment is still rare, it offers a lower cost for the safe disposal of sludge into the environment and recycling of treated solid as crop fertilizer. For that to be possible, the water–polymer interaction on S-SAP must first be fully comprehended. In this study, the S-SAP was prepared through graft polymerization of poly (methacrylic acid-co-sodium methacrylate) on the starch backbone. By analyzing the amylose unit, it was possible to avoid the complexity of polymer networks when considering S-SAP using molecular dynamics (MD) simulations and density functional theory (DFT). Through the simulations, formation of hydrogen bonding between starch and water on the H06 of amylose was assessed for its flexibility and less steric hindrance. Meanwhile, water penetration into S-SAP was recorded by the specific radial distribution function (RDF) of atom–molecule interaction in the amylose. The experimental evaluation of S-SAP correlated with high water capacity by measuring up to 500% of distilled water within 80 min and more than 195% of the water from solid waste sludge for 7 days. In addition, the S-SAP swelling showed a notable performance of a 77 g/g swelling ratio within 160 min, while a water retention test showed that S-SAP was capable of retaining more than 50% of the absorbed water within 5 h of heating at 60 °C. The water retention of S-SAP adheres to pseudo-second-order kinetics for chemisorption reactions. Therefore, the prepared S-SAP might have potential applications as a natural superabsorbent, especially for the development of sludge water removal technology.

Bifunctional heterogeneous catalysts have a great potential to overcome the shortcomings of homogeneous and enzymatic catalysts and simplify the biodiesel production processes using low-grade, high-free-fatty-acid feedstock. In this study, we developed ZrO2-based bifunctional heterogeneous catalysts for simultaneous esterification and transesterification of microalgae to biodiesel. To avoid the disadvantage of the low surface area of ZrO2, the catalysts were prepared via a surfactant-assisted sol-gel method, followed by hydrothermal treatments. The response surface methodology central composite design was employed to investigate various factors, like the surfactant/Zr molar ratio, pH, aging time, and temperature on the ZrO2 surface area. The data were statistically analyzed to predict the optimal combination of factors, and further experiments were conducted for verification. Bi2O3 was supported on ZrO2 via the incipient wetness impregnation method. The catalysts were characterized by a variety of techniques, which disclosed that the surfactant-assisted ZrO2 nanoparticles possess higher surface area, better acid–base properties, and well-formed pore structures than bare ZrO2. The highest yield of fatty acid methyl esters (73.21%) was achieved using Bi2O3/ZrO2(CTAB), and the catalytic activity of the developed catalysts was linearly correlated with the total densities of the acidic and basic sites. The mechanism of the simultaneous reactions was also discussed.

A plasticized solid polymer electrolyte system is prepared using polymer blend of methyl cellulose–potato starch with lithium perchlorate (LiClO4) as dopant salt and glycerol as plasticizer. Transport properties of the electrolytes are investigated using electrical impedance spectroscopy (EIS). By applying a method proposed by Arof et al. which was found to be suitable for both Arrhenius and Vogel–Tammann–Fulcher (VTF) type of electrolytes, the number density (n), diffusion coefficient (D), and mobility (μ) of ions are found to be influenced by the concentration of glycerol. From ion and electron transference number analysis, it is verified that ions are the main charge carriers. Linear sweep voltammetry (LSV) verifies the suitability of the most conductive electrolyte to be employed in the carbon-based symmetric electrical double-layer capacitor (EDLC) fabrication. The EDLC has been tested using the galvanostatic charge–discharge and cyclic voltammetry (CV) techniques. The specific capacitance (Csp) of the electrode using CV at a sweep rate of 2 mV s−1 is found to be 61.58 F g−1. The EDLC has been tested for 1000 charge–discharge cycles with the highest Csp value of 28.04 F g−1.

One way to reconcile an issue associating with the harvesting of microalgal biomass is via the application of attached growth cultivation mode, whereby the mature microalgal biomass can be facilely harvested from the support material. Accordingly, the objectives of present works were to model the attached growth of Chlorella vulgaris onto polyurethane foam support material in a fluidized bed bioreactor while simultaneously bioremediating real nutrients-rich wastewater and biofixing CO2 for biodiesel production. The mathematical models accounting the impact of various interactions between light intensities and CO2 concentrations in culture medium on growing attached microalgal biomass were initially improved. The successful practicality of models was confirmed from the analysis of statistical accuracy while predicting the growth of attached microalgal biomass in real nutrients-rich wastewater. When the microalgal growth reached the stationary growth phase, all the nutrients (nitrogen and phosphorous sources of compounds) were completed impoverished, accentuating the bioremediation potentiality in satisfying the effluent discharged requirements. Subsequently, the modeling of microalgal CO2 biofixation also unveiled that the highest CO2 biofixation rate was transpiring in parallel with the growth rate of attached microalgal biomass during the exponential growth phase. Upon the harvesting, the neutral lipid from mature attached microalgal biomass was found to contain 97.7% (by wt. of lipid) of fatty acid methyl esters (FAMEs) mixture, heralding the biodiesel purity. Assessment of biodiesel quality showed a balance composition among the saturated, monounsaturated and polyunsaturated FAMEs mixture with high in C16 and C18 FAME species for the materialization of efficient combustion.

Active pharmaceutical ingredients (APIs) in the form of crystalline solid are commonly produced in drug manufacturing industries. However, crystalline solid APIs have a low solubility and the ability to cause polymorphism transformation. In order to overcome these problems, a modification of APIs in the form of protic ionic liquids (PILs) has been proposed. In the present study, a series of five ferulate-based PILs were successfully synthesised and characterised by appropriate spectral analysis. The antioxidant activity of synthesised PILs was determined through the 2,2‑diphenyl‑1‑picrylhydrazyl (DPPH) free radical scavenging assays. The spectroscopy analysis confirmed the formation of PILs supported by the Density Function Theory (DFT) calculation. The synthesised ferulate-based PILs exhibited low EC50 ranging from 12.93 ± 0.05 to 17.40 ± 0.04 μM indicating a strong antioxidant activity compared to parent acid (EC50 of 21.40 ± 0.05 μM). Prediction of antioxidant activity of the PILs and their ionic interactions at the molecular level were studied by applying DFT calculation at B3-LYP/6-311G*** level and COSMO-RS. Based on the optimised geometry, the ion-pair of PILs formed a strong directional intermolecular hydrogen bond between the –NH group of the cation with the –COOH group of the anion with interaction energy of −111 to −120 kcal mol−1. Predicted antioxidant activity indicated that the PILs's cation has a weak interaction with an anion as observed from the σ-potential analysis.

Mixed oxides catalyst has become a recent focus for production of biodiesel from the third-generation biomass. In this study, ZrO2 was synthesized by using sol–gel method with hydrothermal assisted. Mixed oxides catalysts were then prepared via incipient wetness impregnation of Bi2O3 (5, 15 and 30 wt%) on the synthesized ZrO2. Physicochemical properties of the catalysts were evaluated using different characterization techniques and their performances were investigated in the transesterification of marine microalgae of Nannochloropsis oculata to biodiesel. XRD diffractograms showed the presence of monoclinic (m) and tetragonal (t) phases of ZrO2 in all synthesized catalysts. It was found that the composition of the ZrO2 phases depend strongly on the Bi2O3 content. BET analyses showed that the total surface area of ZrO2 decreased with increased Bi2O3 content due to the pore filling effect. CO2-TPD and NH3-TPD analyses indicated that all the catalysts possessed both acidic and basic properties with different intensities. The highest FAME yield was obtained using 5Bi2O3/ZrO2 when the test was conducted at optimum reaction conditions of 20 wt% of catalyst loading and methanol to biomass ratio of 90:1 (mL/g) at 80 °C for 6 h. The synthesized biodiesel met the specifications of biodiesel standard for cetane number and iodine value except for the oxidative stability.

The black soldier fly larvae (BSFL) have been widely extolled for the application in managing various solid organic wastes. Owing to the saprophagous nature of BSFL, a rapid valorization of solid organic wastes can be accomplished with the simultaneous production of valuable biochemical compounds derived from larval biomass. In the present works, the mixed waste coconut endosperm (w-CE) and soybean curd residue (SC-r) substrates with increasing protein nutritional constituent were administered to BSFL. The correlations between protein from larval feed substrates and nutritional profiles of BSFL biomasses were ultimately unveiled. The protein from larval feed substrates could be increased by increasing of SC-r portion against w-CE. At the w-CE:SC-r ratio of 3:2, the highest larval total weight gained and growth rate were attained; indicating an optimum protein nutritional constituent in mixed organics (12.4%) that could enhance the BSFL palatability. Further increment of protein nutritional constituent in mixed organics was found acidifying the residual larval feed substrate progressively, undermining the growth of BSFL. By feeding the BSFL with optimum mixed organics, the maximum accumulations of larval lipid and protein could be achieved. Transesterification of extracted lipid had demonstrated high in monounsaturated fatty acids (73%) which was suitable for biodiesel. The BSFL palatability was finally confirmed from the bioconversion viewpoint of mixed organic wastes. Again, achieving the highest bioconversion efficiency of 14% into larval biomass after accounting the metabolic loss of 54%. Therefore, a total of 68% of mixed w-CE and SC-r could be successfully bioconverted.

The valorization of sewage sludge by black soldier fly larvae (BSFL) has gained attentions for sewage sludge management since the sludge can be reduced securely as well as larval biomass can be used for biorefineries application. Nevertheless, the BSFL growth was impeded while assimilating nutrition from sewage sludge due to the presence of extracellular polymeric substances (EPS) that had entrapped the essential nutrients inside. Accordingly, the pre-treatment of sewage sludge via anaerobic digestion at different pH was employed in this work to rupture the EPS structure and release more nutrients for larval growth. The results showed that larvae fed with raw sewage sludge had attained the lowest final larval weight (2.05 ± 0.38 mg/larva) as opposed to batches fed with pre-treated sewage sludges. This was because the soluble carbohydrate (more than 6.81 ± 1.31 mg of glucose/g sewage sludge) in EPS was released after anaerobic pre-treatment, facilitating larval assimilation for growth. Furthermore, it was observed that further increasing of pH for sewage sludge pre-treatment had led to lower final larval weight gained due to the inhibitory effect stemming from ammonia production at higher pH. The anaerobic pre-treatment of sewage sludge being executed at pH 3 for 8 days had achieved the highest final larval weight at 7.34 ± 0.97 mg/larva. The still low quality of sewage sludges after the pre-treatment also offered benefit, where high sewage sludge reduction and waste reduction index were recorded due to the necessity of BSFL to consume more sewage sludge in compensating the nutrients destitution in sludge. Lastly, the possibility of predicting final larval weight was successfully materialized via a statistical model derived from the multiple linear regression method. The derived model incorporated the interactive parameters of anaerobic pre-treated pH and durations at various combinations could predict the final larval weight.

The biggest challenge faced in oil refineries is the removal of sulfur compounds in fuel oil. The sulfur compounds which are found in fuel oil such as gasoline and diesel, react with oxygen in the atmosphere to produce sulfur oxide (SOx) gases when combusted. These sulfur compounds produced from the reaction with oxygen in the atmosphere may result in various health problems and environmental effects. Hydrodesulfurization (HDS) is the conventional process used to remove sulfur compounds from fuel oil. However, the high operating conditions required for this process and its inefficiency in removing the organosulfur compounds turn to be the major drawbacks of this system. Researchers have also studied several alternatives to remove sulfur from fuel oil. The use of ionic liquids (ILs) has also drawn the interest of researchers to incorporate them in the desulfurization process. The environmental effects resulting from the use of these ILs can be eliminated using eutectic-based ionic liquids (EILs), which are known as greener solvents. In this research, a combination of extractive desulfurization (EDS) and oxidative desulfurization (ODS) using a photocatalyst and EIL was studied. The photocatalyst used is a pre-reported catalyst, Cu-Fe/TiO2 and the EIL were synthesized by mixing choline chloride (ChCl) with organic acids. The acids used for the EILs were propionic acid (PA) and p-toluenesulfonic acid (TSA). The EILs synthesized were characterized using thermogravimetry analyser (TGA) differential scanning calorimetry (DSC) analysis to determine the physical properties of the EILs. Based on the TGA analysis, ChCl (1): PA (3) obtained the highest thermal stability whereas, as for the DSC analysis, all synthesized EILs have a lower melting point than its pure component. Further evaluation on the best EIL for the desulfurization process was carried out in a photo-reactor under UV light in the presence of Cu-Fe/TiO2 photocatalyst and hydrogen peroxide (H2O2). Once the oxidation and extraction process were completed, the oil phase of the mixture was analyzed using high performance liquid chromatography (HPLC) to measure the sulfur removal efficiency. In terms of the desulfurization efficiency, the EIL of ChCl (1): TSA (2) showed a removal efficiency of about 99.07%.

Drift deposition of emerging and carcinogenic contaminant dicamba (3,6-dichloro-2-methoxy benzoic acid) has become a major health and environmental concern. Effective removal of dicamba in aqueous medium becomes imperative. This study investigates the adsorption of a promising adsorbent, MIL-101(Cr) metal-organic framework (MOF), for the removal of dicamba in aqueous solution. The adsorbent was hydrothermally synthesized and characterized using N2 adsorption-desorption isotherms, Brunauer, Emmett and Teller (BET), powdered X-ray diffraction (XRD), Fourier Transformed Infrared (FTIR) and field emission scanning electron microscopy (FESEM). Adsorption models such as kinetics, isotherms and thermodynamics were studied to understand details of the adsorption process. The significance and optimization of the data matrix, as well as the multivariate interaction of the adsorption parameters, were determined using response surface methodology (RSM). RSM and artificial neural network (ANN) were used to predict the adsorption capacity. In each of the experimental adsorption conditions used, the ANN gave a better prediction with minimal error than the RSM model. The MIL-101(Cr) adsorbent was recycled six times to determine the possibility of reuse. The results show that MIL-101(Cr) is a very promising adsorbent, in particular due to the high surface area (1439 m2 g−1), rapid equilibration (~25 min), high adsorption capacity (237.384 mg g−1) and high removal efficiency of 99.432%.

This study investigates the removal and prediction of metolachlor from aqueous medium using advanced prediction technique and porous adsorbent material (metal-organic framework (MOF)). The powdered X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), and Brunauer, Emmett and Teller (BET) were used to characterize the synthesized MOF. High removal efficiency (97.75%) was recorded within short time (30 min) using only 10 mg of the MOF. The variation in the pH and concentration were also studied to understand the adsorption. The experimental data set for the training and validation were designed and predicted using the model of artificial neural network (ANN). The ANN model gave accurate prediction for training (R2 = 0.998; R2adj = 0.991 and RMSE = 0.311) and validation (R2 = 0.996; R2adj = 0.991 and RMSE = 0.441) at node five. The porous nature of the adsorbent (1104 m2 g−1), fast equilibration time, % removal and accurate ANN prediction makes this MOF an effective material for remediating recalcitrant pollutants.

Effective removal of 4-chloro-2-methylphenoxyacetic acid (MCPA), an emerging agrochemical contaminant in water with carcinogenic and mutagenic health effects has been reported using hydrothermally synthesized MIL-101(Cr) metal-organic framework (MOF). The properties of the MOF were ascertained using powdered X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, thermal gravimetric analysis (TGA), field emission scanning electron microscopy (FESEM) and surface area and porosimetry (SAP). The BET surface area and pore volume of the MOF were 1439 m 2 g −1 and 0.77 cm 3 g −1 , respectively. Artificial neural network (ANN) model was significantly employed for the accurate prediction of the experimental adsorption capacity ( q e ) values with minimal error. A rapid removal of the pollutant (99%) was recorded within short time (approx. 25 min), and the reusability of the MOF (20 mg) was achieved up to six cycles with over 90% removal efficiency. The kinetics, isotherm and thermodynamics of the process were described by the pseudo-second-order, Freundlich and endothermic adsorption, respectively. The adsorption process is spontaneous based on the negative Gibbs free energy values. The significant correlation between the experimental findings and simulation results suggests the great potential of MIL-101(Cr) for the remediation of MCPA from water matrices.

Extractive catalytic oxidative desulfurization (ECODS) is the one of the recent methods used in fuel desulfurization which involved the use of catalyst in the oxidative desulfurization of diesel fuel. This study is aimed to test the effectiveness of synthesized choline chloride (ChCl) based deep eutectic solvent (DES) in fuel desulfurization via ECODS method, with the presence of graphene oxide (GO) as catalyst and hydrogen peroxide (H2O2) as oxidant. In this study, 16 DESs based on choline chloride were synthesized using glycerol (GLY), ethylene glycol (EG), tetraethylene glycol (TEG) and polyethylene glycol (PEG). The characterization of the synthesized DES was carried out via Fourier transform infrared spectroscopy (FTIR) analysis, density, and viscosity determination. According to the screening result, ChCl-PEG (1:4) was found to be the most effective DES for desulfurization using ECODS method, with a removal of up to 47.4% of sulfur containing compounds in model oil in just 10 min per cycle after the optimization of the reaction parameters, and up to 95% desulfurization efficiency could be achieved by six cycles of desulfurization. It is found that the addition of GO as catalyst does not increase the desulfurization performance drastically, hence, future studies for the desulfurization performance of DESs made up from ChCl and PEG and its derivatives can be done simply by using extraction desulfurization (EDS) method instead of ECODS method, for cost reduction purpose and easier regulation of DES waste into environment.

Water-borne emerging pollutants are among the greatest concern of our modern society. Many of these pollutants are categorized as endocrine disruptors due to their environmental toxicities. They are harmful to humans, aquatic animals, and plants, to the larger extent, destroying the ecosystem. Thus, effective environmental remediations of these pollutants became necessary. Among the various remediation techniques, adsorption and photocatalytic degradation have been single out as the most promising. This review is devoted to the compilations and analysis of the role of metal-organic frameworks (MOFs) and their composites as potential materials for such applications. Emerging organic pollutants, like dyes, herbicides, pesticides, pharmaceutical products, phenols, polycyclic aromatic hydrocarbons, and perfluorinated alkyl substances, have been extensively studied. Important parameters that affect these processes, such as surface area, bandgap, percentage removal, equilibrium time, adsorption capacity, and recyclability, are documented. Finally, we paint the current scenario and challenges that need to be addressed for MOFs and their composites to be exploited for commercial applications.