Novel organo-inorganic hybrid materials (MTW-x-SO₃H) have been fabricated by immobilizing 3-mercaptopropyltriethoxysilane onto mesopore MTW zeolites, which is treated via a simple oxidation process with hydrogen peroxide as the oxidant to transform sulfhydryl group into sulfonic acid group. The organic sulfhydryl groups are covalently bonded to the external surface of MTW zeolites through the condensation between siloxane arising from organic fragments with silanol groups on the surface of MTW zeolites, the hybrids contain sulfonic acid group within the external surface of MTW zeolites and an opened mesoporous system in the matrix of MTW zeolites, which provide enough accessible Brønsted acid sites for the alkylation between phenol with tert-butyl alcohol. Through this methodology it’s possible to prepare multifunctional materials where the plenty of mesopores are benefit for the introduction of larger numbers of sulfonic acid groups that contributes to activity during reactions, resulting in high activity (>55%) of MTW-4-SO₃H and desired selectivity (>56%) of 2-TBP (2-tert-butyl phenol) in the alkylation between phenol with tert-butyl alcohol.

Solubility enhancement has been a priority to overcome poor solubility with optoelectronic molecules for solution-processable devices. This study aims to obtain experimental data on the effect of particle sizes on the solubility properties of several typical optoelectronic molecules in organic solvents, including the solubility results of 1,3-bis(9-carbazolyl)benzene (mCP), 1,3,5-tris(1-phenyl-1H-benzimidazol-2-yl)benzene (TPBi) and 2-(4-tert-butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole (PBD) in ethanol and acetonitrile, respectively. Nanoparticles of mCP, TPBi and PBD with sizes from dozens to several hundred nanometers were prepared by solvent antisolvent precipitation method and their solubility were determined by using isothermal saturation method. The saturation solubility of nanoparticles of three kinds of optoelectronic molecules exhibited increase of 12.9%-25.7% in comparison to the same raw materials in the form of microparticles. The experimental evidence indicates that nanonization technology is a feasible way to make optoelectronic molecules dissolve in liquids with enhanced solubility.

The heat transfer of hydrocarbon refrigerant across tube bundles have been widely used in refrigeration. Three-dimensional simulation model using volume of fluid (VOF) was presented to study the effects of tube shapes on flow pattern, film thickness and heat transfer of n-pentane across tube bundles, including circle, ellipse-shaped, egg-shaped and cam-shaped tube bundles. Simulation results agree well with experimental data in the literature. The liquid film thickness of sheet flow and heat transfer for different tube shapes were obtained numerically. The flow pattern transition occurs lower vapor quality for ellipse-shaped tube than other tube shapes. For sheet flow, the liquid film on circle tube and ellipse-shaped tube is symmetrically distributed along the circumferential direction. However, the liquid film on egg-shaped tube at circumferential angles (θ) = 15°-60° is thicker than θ = 135°-165°. The liquid film on cam tube at θ = 15°-60° is slightly thinner than θ = 135°-165°. The liquid film thickness varies from thinner to thicker for ellipse-shaped, cam-shaped, egg-shape and circle within θ = 15°-60°. The effect of tube shape is insignificant on thin liquid film thickness. Ellipse-shaped tube has largest heat transfer coefficient for sheet flow. In practical engineering, the tube shape could be designed as ellipse to promote heat transfer.

In this study, ferric nitrate modified carbon nanotube composites (FCNT) were prepared by isovolumetric impregnation using carbon nanotubes (CNTs) as the carrier and ferric nitrates the active agent. The batch experiments showed that FCNT could effectively oxidize As(III) to As(V) and react with it to form stable iron arsenate precipitates. When the dosage of FCNT was 0.1 g·L^-1, pH value was 5-6, reaction temperature was 35 ℃ and reaction time was 2 h, the best arsenic removal effect could be achieved, and the removal rate of As(V) could reach 99.1%, which was always higher than 90% under acidic conditions. The adsorption results of FCNT were found to be consistent with Langmuir adsorption by static adsorption isotherm fitting, and the maximum adsorption capacity reached 118.3 mg·g^-1. The material phase and property analysis by scanning electron microscopy, Brunauer-Emmett-Teller, Fourier transform infrared spectoscopy, X-ray photoelectron spectroscopy and other characterization methods, as well as adsorption isotherm modeling, were used to explore the adsorption mechanism of FCNT on arsenic. It was found that FCNT has microporous structure and nanostructure, and iron nanoparticles are loosely distributed on CNTs, which makes the material have good oxidation, adsorption and magnetic separation properties. Arsenic migrates on the surface of FCNT composites is mainly removed by forming insoluble compounds and co-precipitation. All the results show that FCNT treats arsenic at low cost with high adsorption efficiency, and the results also provide the experimental data basis and theoretical basis for arsenic contamination in groundwater.

The knowledge of two-phase cloud dispersion mechanism from HLG (hazardous liquefied gas) release is the prerequisite for accurate assessment and precise rescue of such accidents. In this paper, an experiment of two-phase cloud dispersion from liquefied CO₂ hole release is performed. The source terms, such as vapour mass fraction, release velocity and mean droplet diameter, are calculated based on thermodynamic theory. Taking phase transition of CO₂ droplets to gas into account, CFD (computational fluid dynamics) model for two-phase cloud dispersion is established. The predicted cloud temperatures at the downstream agree well with the experimental data, with the maximum relative error of 5.8% and average relative error of 2.3%. The consequence distances in the downstream direction and in the crosswise direction calculated through two-phase model are larger than those through single-phase model, with the relative differences of 57.8% and 53.6% respectively. CO₂ concentration calculated by two-phase model is smaller in the vicinity of release hole, and larger beyond 0.135 m downstream. A smaller leakage rate results in a lower CO₂ concentration and a higher cloud temperature.

Arsenic is one of the main harmful elements in industrial wastewater. How to remove arsenic has always been one of the research hotspots in academic circles. In the process of arsenic removal by traditional sulfuration, the use of traditional sulfurizing agent will introduce new metal cations, which will affect the recycling of acid. In this study, phosphorus pentasulfide (P₂S₅) was used as sulfurizing agent, which hydrolyzed to produce H₃PO₄ and H₂S without introducing new metal cations. The effect of ultrasound on arsenic removal by P₂S₅ was studied. Under the action of ultrasound, the utilization of P₂S₅ was improved and the reaction time was shortened. The effects of S/As molar ratio and reaction time on arsenic removal rate were investigated under ultrasonic conditions. Ultrasonic enhanced heat and mass transfer so that the arsenic removal rate of 94.5% could be achieved under the conditions of S/As molar ratio of 2.1:1 and reaction time of 20 min. In the first 60 min, under the same S/As molar ratio and reaction time, the ultrasonic hydrolysis efficiency of P₂S₅ was higher. This is because P₂S₅ forms ([(P₂S₄)])²⁺ under the ultrasonic action, and the structure is damaged, which is easier to be hydrolyzed. In addition, the precipitation after arsenic removal was characterized and analyzed by X-ray diffraction, scanning electron microscope-energy dispersive spectrometer, X-ray fluorescence spectrometer and X-ray photoelectron spectroscopy. Our research avoids the introduction of metal cations in the arsenic removal process, and shortens the reaction time.

The improper disposal of spent selective catalytic reduction (SCR) catalysts causes environmental pollution and metal resource waste. A novel process to recover anatase titanium dioxide (TiO₂) from spent SCR catalysts was proposed. The process included alkali (NaOH) hydrothermal treatment, sulfuric acid washing, and calcination. Anatase TiO₂ in spent SCR catalyst was reconstructed by forming Na₂Ti₂O₄(OH)₂ nanosheet during NaOH hydrothermal treatment and H₂Ti₂O₄(OH)₂ during sulfuric acid washing. Anatase TiO₂ was recovered by decomposing H₂Ti₂O₄(OH)₂ during calcination. The surface pore properties of the recovered anatase TiO₂ were adequately improved, and its specific surface area (SSA) and pore volume (PV) were 85 m²·g^-1 and 0.40 cm³·g^-1, respectively. The elements affecting catalytic abilities (arsenic and sodium) were also removed. The SCR catalyst was resynthesized using the recovered TiO₂ as raw material, and its catalytic performance in NO selective reduction was comparable with that of commercial SCR catalyst. This study realized the sustainable recycling of anatase TiO₂ from spent SCR catalyst.

Dielectric barrier discharge (DBD) has been widely employed in ozone generation. However, the technology still exhibits relatively low energy yield (E_Y) referring to its theoretical value. In this work, E_Y of ozone generation was improved by optimizing the mesh number, electrode length, and dielectric material in a coaxial DBD reactor with two wire mesh electrodes. Meanwhile, the discharge characteristics were investigated to elucidate the effect of reactor configuration on E_Y. Results showed that the discharge characteristics were improved by increasing the mesh number, electrode length, and relative permittivity. When the mesh number was increased from 40 to 100, an improvement of approximately 48% in E_Y was obtained. Additionally, higher E_Y values were obtained using corundum as the dielectric material relative to polytetrafluoroethylene and quartz. Ultimately, E_Y in the optimal DBD reactor could reach 326.77 g·(kW·h)^-1. Compared with the reported DBD reactor, the coaxial DBD reactor with the mesh electrode and the dielectric material of corundum could effectively improve E_Y, which lays a foundation for the design of high-efficiency coaxial DBD reactor.

Molecularly imprinted polymers (MIPs) have great potential as adsorbents for selective adsorption and separation of nucleoside compounds, but effectively enhancing the affinity of recognition sites by adjusting the forces between template molecules and functional monomers remains an important challenge. In this work, a surface imprinting strategy was used to construct bowl-shaped molecularly imprinted composite sorbents (BHPN@MIPs) based on polydopamine (PDA) particles and have achieved selective separation and purification of 2'-deoxyadenosine (dA). Where by the base complementary pairing interaction of the combined template molecule dA and the pyrimidine functional monomer can enhance the pre-assembly force, and the hydrophilic bowl-shaped PDA can provide a larger storage space contact efficiency of dA in the test solution, causing the site utilization much higher and improving the kinetic adsorption performance. The equilibrium adsorption time and maximum adsorption capacity of 60 min and 328.45 μmol·g^-1 were observed by static adsorption experiments, and the selectivity experimental results showed an imprinting factor IF of 1.30. After four adsorption-desorption cycles, the initial adsorption equilibrium adsorption capacity of BHPN@MIPs still retained 91.14%. By evaluating the selective adsorption of dA in spiked human serum solutions, BHPN@MIPs can be used to selectively enrich and analyze target dA in complex biological samples.

Metal-organic frameworks (MOFs) are becoming more and more popular as the fillers in polymer electrolytes in recent years. In this study, a series of MOFs (NH₂-MIL-101(Fe), MIL-101(Fe), activated NH₂-MIL-101(Fe) and activated MIL-101(Fe)) were synthesized and added to PEO-based solid composite electrolytes (SCEs). Furthermore, the role of the —NH₂ groups and open metal sites (OMSs) were both examined. Different ratios of MOFs vs polymers were also studied by the electrochemical characterizations. At last, we successfully designed a novel solid composite electrolyte containing activated NH₂-MIL-101(Fe), PEO, LiTFSI and PVDF for the high-performance all-solid-state lithium-metal batteries. This work might provide new insight to understand the interactions between polymers and functional groups or OMSs of MOFs better.

A phosphorus-containing flame retardant, aluminum hypophosphite (AHPi), has been modified by (3-aminopropyl) triethoxysilane (KH550) to prepare flame-retardant polystyrene (PS). The influence of modified AHPi on the morphology and characterization was investigated, and differences in flame retardant properties of the PS/AHPi and PS/modified AHPi were compared. The PS composite can pass the vertical burning tests (UL-94 standard) with a V-0 rating when the mass content of modified AHPi reaches 20%, compared with the mass content of 25% AHPi. The element mapping of the PS composite shows that modified AHPi has better dispersion in PS than AHPi. Thermogravimetric analysis results indicated that adding modified AHPi can advance the initial decomposition temperature of the composite material. With the addition of modified AHPi, the decrease in peak heat release rate (pHRR) is more evident than AHPi, and the char yield of the resultant PS composites gradually increased. With the addition of 25% modified AHPi, the pHRR and total heat release of PS composites decreased by 81.4% and 37.6%. The modification of AHPi promoted its dispersion in the PS matrix and improved the char formation of PS composites. The results of real-time infrared spectrometry of PS composites, Fourier transform infrared spectra and X-ray photoelectron analysis of the char layer indicated that modified AHPi has flame retardancy in condensed and gas phases.

The performance of pearlescent pigment significantly affected by the grain size and the roughness of deposited film. The effect of TiCl₄ concentration on the initial deposition of TiO₂ on mica by atmospheric pressure chemical vapor deposition (APCVD) was investigated. The precursor concentration significantly affected the deposition and morphology of TiO₂ grains assembling the film. The deposition time for fully covering the surface of mica decreased from 120 to 10 s as the TiCl₄ concentration increased from 0.38% to 2.44%. The grain size increased with the TiCl₄ concentration. The AFM and TEM analysis demonstrated that the aggregation of TiO₂ clusters at the initial stage finally result to the agglomeration of fine TiO₂ grains at high TiCl₄ concentrations. Following the results, it was suggested that the nucleation density and size was easy to be adjusted when the TiCl₄ concentration is below 0.90%.

A fluorescent active organic-inorganic hybrid material PyN-SBA-15 was synthesized by implementing pyrene derivatives into mesoporous SBA-15 silica. PyN-SBA-15 had detection and removal functionalities toward Al³⁺, Cu²⁺, and Hg²⁺. On the one hand, PyN-SBA-15 was used as a fluorescence sensor and displayed high sensitivity toward Al³⁺, Cu²⁺, and Hg²⁺ cations (limit of detection: 8.0×10^-7, 1.1×10^-7, and 2.9×10^-6 mol·L^-1, respectively) among various analytes with “turn-off” response. On the other hand, the adsorption studies for these toxic analytes (Cu²⁺, Hg²⁺, and Al³⁺) showed that the ion removal capacity could reach up to 45, 581, and 85 mg·g^-1, respectively. Moreover, the Langmuir isotherm models were better fitted with the adsorption data, indicating that the adsorption was mono-layer adsorption. Kinetic analysis revealed that the adsorption process was well described by the pseudo-second-order kinetic model for Cu²⁺ and Hg²⁺ and pseudo-first-order kinetic model for Al³⁺. The prepared silica material could be reused in four recycles without significantly decreasing its adsorption capacity. Therefore, the PyN-SBA-15 material can serve as a promising candidate for the simultaneous rapid detection and efficient adsorption of metal ions.

Geopolymer is a new type of eco-friendly cementitious material, and its superior drying and high temperature resistance has been widely recognized. The service performance of geopolymer under 150 ℃ high-temperature hydrothermal conditions is still less discussed. In this paper, the mechanical strength of pure metakaolin system with low calcium content and metakaolin-cement system with high calcium content under hydrothermal and non-hydrothermal conditions were studied. The results show that under 150 ℃ hydrothermal conditions, the strength of pure metakaolin geopolymer sharply decreases by reduction rate of 81.8% compared to the sample under 150 ℃ drying conditions, while the strength of metakaolin-cement geopolymers is well retained with only a slight decrease of 14.4%. This is mainly because the predominantly hydration product sodium aluminosilicate (N-A-S-H) gel of pure metakaolin system undergoes the process of “dissociation-repolymerization-crystallization” under 150 ℃ hydrothermal conditions, resulting in the loss of cementation ability and obvious deterioration of mechanical strength. In the metakaolin-cement system, the high-calcium calcium silicate gel (C-A-S-H) gel maintains a stable structure, thereby maintaining the macroscopic strength of the material under the hydrothermal conditions.

Based on the dynamic method, a quaternary system of ammonium polyphosphate (APP)-urea ammonium nitrate (UAN, CO(NH₂)₂-NH₄NO₃)-potassium chloride (KCl)-H₂O and its subsystems (APP-[CO(NH₂)₂-NH₄NO₃]-H₂O, KCl-[CO(NH₂)₂-NH₄NO₃]-H₂O and APP-KCl-H₂O) were systematically investigated at the temperature of 273.2 K. Each ternary phase diagram contains one invariant point and three crystallization regions. The crystallization regions are: (1) (NH₄)₃HP₂O₇, (NH₄)₄P₂O₇ and ((NH₄)₃HP₂O₇ + (NH₄)₄P₂O₇) for APP-[CO(NH₂)₂-NH₄NO₃]-H₂O diagram; (2) KCl, KNO₃ and (KCl + KNO₃) for KCl-[CO(NH₂)₂-NH₄NO₃]-H₂O diagram and (3) (NH₄)₃HP₂O₇, KCl and ((NH₄)₃HP₂O₇ + KCl) for APP-KCl-H₂O diagram. The quaternary phase diagram of APP-[CO(NH₂)₂-NH₄NO₃]-KCl-H₂O has no quaternary invariant point but includes four solid phase crystallization regions, i.e., (NH₄)₃HP₂O₇, (NH₄)₄P₂O₇, KNO₃ and KCl, in which the KNO₃ region occupies the largest area. The maximum total nutrient content (N + P₂O₅ + K₂O) existing as ionic forms in the APP-[CO(NH₂)₂-NH₄NO₃]-H₂O, KCl-[CO(NH₂)₂-NH₄NO₃]-H₂O, APP-KCl-H₂O and quaternary systems is 44.70%, 32.86%, 45.56% and 46.23% (mass), respectively, indicating that the maximum nutrient content can be reached using raw materials of the corresponding systems to prepare liquid fertilizer. In the quaternary system, the content of ascends with the increase of the total nutrient content, while the contents of and CO(NH₂)₂-N increase with elevated total N. This work can help optimize the operating parameters for the production, storage and transportation of liquid fertilizers.

This work is focused on the determination of the optimal reaction conditions to synthesize the ionic liquid 1-ethyl-3-methylimidazolium chloride ([EMIM][Cl]) and assess its suitability for the pretreatment of rice husk. The modified UNIFAC (UNIversal quasi-chemical Functional-group Activity Coefficients) approach for ionic liquids is used to develop a thermodynamic model that describes the reactive system methylimidazole (MIM), chloroethane (C₂H₅Cl) and [EMIM][Cl]. The model allows to study the phase equilibria coexistence (vapor-liquid equilibria and solid-liquid equilibria) and yields the theoretically optimal conditions to synthesize the ionic liquid. The model predictions are validated with the available experimental and reported data. By implementing the developed model, a simple way to synthesize ionic liquid [EMIM][Cl] was found allowing to study its influence on the structure and morphology of pretreated rice husk. The lignocellulosic materials involved in this study are characterized by their composition, enzymatic digestibility, scanning electron microscopy, and crystallinity. Compared to untreated material, [EMIM][Cl]-pretreated rice husk produces cellulose that can be efficiently enzymatic hydrolyzed with high sugar yields. This work offers a suitable methodology to include the synthesis and thermodynamics of the solvent media within the design of low-cost ionic liquids for lignocellulosic biomass pretreatment.

The available alkaline recovery membranes are currently dominated by polymeric materials, but they suffer from a permeation-selectivity trade-off and inferior chemical resistance. Robust two dimensional (2D) lamellar membranes with sub-nanometer wide channels are promising candidates for discerning OH^- and other anions. Here, we report the development of alkaline recycling membranes through stacking MoS₂ nanosheets. Benefiting from the ordered and narrow 2D channels, MoS₂ membranes show excellent alkaline recovery performances. The OH^- dialysis coefficient () and separation factor (S) towards simulated OH^- and across the 500 nm thick MoS₂ laminates reach 6.9×10^-3 m·h^-1 and 34.3 respectively. Furthermore, the chemical environments of MoS₂ laminates were modulated by intercalating ionic poly(sodium 4-styrene sulfonate) (PSS@MoS₂). The and S values of PSS@MoS₂ membrane further improve to 11.7×10^-3 m·h^-1 and 49.8 respectively. Besides, both MoS₂ and PSS@MoS₂ membranes exhibit promising stability.

Suzuki-Miyaura reaction of aryl halides with phenylboronic acid using a heterogeneous palladium catalyst based on activated carbons (AC) was systematically investigated in this work. Two different reaction modes (batch procedure and continuous-flow procedure) were used to study the variations of reaction processing. The heterogeneous catalysts presented excellent reactivity and recyclability for iodobenzene and bromobenzene substrates in batch mode, which can be attributed to stabilization of Pd nanoparticles by the thiol and amino groups on the AC supports. However, significant dehalogenation in the reaction mixture and Pd leaching from the heterogeneous catalysts were observed in continuous-flow mode. This unique phenomenon in continuous-flow mode resulted in a dramatic decline in reaction selectivity and durability of heterogeneous catalysts comparing with that of batch mode. In addition, the heterogeneous Pd catalysts with thiol- and amino-modified AC supports exhibited different reactivity and durability in batch and continuous-flow mode owing to the difference of interaction between Pd species and AC supports.

The flow and heat transfer characteristics of n-decane in the sub-millimeter spiral tube (SMST) at supercritical pressure (p = 3 MPa) are studied by the RNG k -ε numerical model in this paper. The effects of various Reynolds numbers (Re) and structural parameters pitch (s) and spiral diameter (D) are analyzed. Results indicate that the average Nusselt number (f) and friction factor (Nu) increase with an increase in Re, and decrease with an increase in D/d (tube diameter). In terms of the structural parameter s/d, it is found that as s/d increases, the Nu and f first increase, and then decrease. and the critical structural parameter is s/d = 4. Compared with the straight tube, the SMST can improve Nu by 34.8% at best, while it can improve f by 102.1% at most. In addition, a comprehensive heat transfer coefficient is applied to analyze the thermodynamic properties of SMST. With the optimal structural parameters of D/d = 6 and s/d = 4, the comprehensive heat transfer factor of supercritical pressure hydrocarbon fuel in the SMST can reach 1.074. At last, correlations of the average Nusselt number and friction factor are developed to predict the flow and heat transfer of n-decane at supercritical pressure.

Dimethyl oxalate (DMO) hydrogenation is a crucial step in the coal to ethylene glycol (CTEG) process. Herein, Cu catalyst supported on fibrous mesoporous silica (Cu/FMS) was synthesized via liquid phase deposition technique and applied for the DMO hydrogenation to EG. The catalyst exhibited a remarkable EG selectivity of 96.95% and maintained its activity without deactivation for 1000 h. Fibers of FMS support and liquid phase deposition technology cooperated to give high dispersion of Cu species in the Cu/FMS catalyst, resulting in a high Cu surface area. The formation of Si—O—Cu during catalyst preparation process increased the Cu⁺/(Cu⁰ + Cu⁺) ratio and enhanced the thermal and valence stability of Cu species. The high Cu⁺ surface area and Cu stability (thermal and valence stability) of the Cu/FMS catalyst were key factors for achieving superior EG selectivity and ultra-high stability.

Drug-loaded microspheres are significant for the development of modern pharmaceutical products. It is well known that the taken of aspirin for long-term increases the risk of serious gastrointestinal complications, therefore a controllable delivery of aspirin is of importance to lighten those side effects. In this work, poly(lactic acid) (PLA) was chosen as the carrier to prepare PLA-aspirin microspheres by using the traditional and the improved solvent evaporation methods. It was found that no matter which experimental condition was, the encapsulation efficiency of aspirin was higher by using the improved method than that of the traditional method. Specifically, when the concentration of polyvinyl alcohol = 1% (mass), the polymer concentration = 1:20, the oil/water rate = 1:2.5, PLA-aspirin microspheres were obtained via the improved method with a high yield of 82.83% (mass) and an encapsulation efficiency of 44.09%. PLA-aspirin microspheres were then prepared continuously using the improved method, which further enhanced the encapsulation efficiency to 54.56%. Approximate 85% aspirin released from microspheres within 7 days. Obvious degradation which was represented by reduction on hardness was observed by soaking microspheres in PBS for 60 days. This work is of interest because it provides a continuous route to prepare PLA-aspirin microspheres continuously with a high drug encapsulation efficiency.

The synthesis of a continuous IMF zeolite membrane was fabricated on tubular substrates by seeded growth for the first time. The straight channels of IMF zeolite with diameters of 0.53-0.59 nm are distinguishable for p-xylene from o-xylene molecules. Pure IMF-phase high-silica IM-5 zeolite seeds with uniform and fine crystal size were fabricated by a new sonication-assisted aging process. The seeds were coated on the support by dipcoating and induced the formation of continuous membrane. Separation performance in p-/o-xylene mixture was investigated at various temperature and pressure. The typical IM-5 zeolite membrane had p-/o-xylene separation factor of 3.7. Our results suggest that IM-5 zeolite is a potentially good membrane material for the separation of xylene mixtures.

In this study, an approach was proposed to employ new target branched compounds (TBCs) including multiple antibiotic norfloxacin frameworks for intensified adsorption films to achieve super protection of mild steel in HCl medium. Thus, the TBCs containing bis/tri norfloxacin skeletons were synthesized by multi-step preparation route. In addition, the reference linear compound (RLC) including a single norfloxacin part was also synthesized. The chemical structures of these compounds were confirmed by various means. It was demonstrated that the TBCs could form the tough adsorption films on the surface of mild steel, which could be processed mainly through chemisorption effect. The electrochemical analysis suggested that the TBCs displayed superior corrosion inhibition performance for low carbon steel in 1.0 mol·L^-1 HCl solution over the RLC (RLC, 87.80%; TBC1, 97.63%; TBC2, 98.35%), which was further understood by the molecular modelling. The isotherm adsorption plots were employed to analyze the spontaneous adsorption process of the TBCs on low carbon steel surface, and a prominent chemisorption could be inferred by the standard Gibbs free energy changes of the adsorption.

Copper was extracted from methylchlorosilane slurry residue by a direct hydrogen peroxide leaching method. A number of experimental parameters were analyzed to determine the extraction efficiency of copper. The extraction efficiency of copper reached 98.5% under the optimal leaching conditions, such as the hydrogen peroxide concentration of 1.875 mol·L^-1, the leaching temperature of 323 K, the liquid-solid ratio of 20 ml·g^-1, and the stirring speed of 300 r?min^-1. The leaching kinetics of the copper extraction process was then described by the shrinking core model. There were two stages. The first stage was controlled by chemical reactions, while the second stage was controlled by interface transfer and product layer diffusion. The activation energy and kinetic control equations were determined, as well as an explanation of the leaching mechanism of copper extraction based on kinetic analysis and materials characterization. Copper resources can be recovered from the methylchlorosilane slurry residue efficiently and inexpensively with the methods used in this study.

In this work, the solubility data of 9-fluorenone in 11 pure solvents (methanol, ethanol, n-propanol, iso-propanol, n-butanol, iso-butanol, acetonitrile, ethyl formate, ethyl acetate, dimethyl sulfoxide, n-hexane) were measured by the gravimetric method from 278.15 K to 318.15 K under atmospheric pressure. The results showed that the solubility of 9-fluorenone in all tested solvents increased with the raised temperature. The solubility data were correlated by the modified Apelblat equation, λh model and NRTL (non-radom two fluid) model. The average relative deviation (ARD) correlated by three thermodynamic models in different solvents was all below 5%, which indicated that the three thermodynamic models fit the solubility data well. Furthermore, the mixing thermodynamic properties of 9-fluorenone in pure solvent systems were calculated via NRTL model. The results indicated the dissolution process of 9-fluorenone is spontaneous and entropically favorable. The solubility and the mixing thermodynamic properties provided in this paper would play an important role in industrial manufacture and follow-up operation of 9-fluorenone.

Tungsten (W) incorporated mobil-type eleven (MEL) zeolite membrane (referred to as W-MEL membrane) with high separation performance was firstly explored for the separation of oil/water mixtures under the influence of gravity. W-MEL membranes were grown on stainless steel (SS) meshes through in-situ hydrothermal growth method facilitated with (3-aminopropyl)triethoxysilane (APTES) modification of stainless steel meshes, which promote the heterogeneous nucleation and crystal growth of W-MEL zeolites onto the mesh surface. W-MEL membranes were grown on different mesh size supports to investigate the effect of mesh size on the separation performance of the membrane. The as-synthesized W-MEL membrane supported on 500 mesh (25 μm) (W-MEL-500) exhibit the hydrophilic nature with a water contact angle of 11.8° and delivers the best hexane/water mixture separation with a water flux and separation efficiency of 46247 L·m^-2·h^-1 and 99.5%, respectively. The wettability of W-MEL membranes was manipulated from hydrophilic to hydrophobic nature by chemically modifying with the fluorine-free compounds (hexadecyltrimethoxysilane (HDTMS) and dodecyltrimethoxysilane (DDTMS)) to achieve efficient oil-permselective separation of heavy oils from water. Among the hydrophobically modified W-MEL membranes, W-MEL-500-HDTMS having a water contact angle of 146.4° delivers the best separation performance for dichloromethane/water mixtures with a constant oil flux and separation efficiency of 61490 L·m^-2·h^-1 and 99.2%, respectively along with the stability tested up to 20 cycles. Both W-MEL-500-HDTMS and W-MEL-500-DDTMS membranes also exhibit similar separation performances for the separation of heavy oil from sea water along with a 20-fold lower corrosion rate in comparison with the bare stainless-steel mesh, indicating their excellent stability in seawater. Compared to the reported zeolite membranes for oil/water separation, the as-synthesized and hydrophobically modified W-MEL membranes shows competitive separation performances in terms of flux and separation efficiency, demonstrating the good potentiality for oil/water separation.

In the present study, polyethersulfone based nanohybrid membranes were effectively fabricated by incorporating graphene oxide (GO) and hydrotalcite (HT) nanosheets into the membrane structure. HT was prepared to overcome the irreversible agglomeration behavior of GO at a high concentration which affects the performance of the membranes. In particular, the shedding of HT in formamide provides a two-dimensional nanosheet with a higher positive charge density to prevent the restacking of GO nanosheets. Here, exfoliated GO and HT with different combinations (1:1, 1:2 and 1:3) were infused in the membrane matrix to treat lead-acid battery effluent effectively. Finally, the hybrid membranes were characterized for hydrophilicity, mechanical strength and pure water flux. In combination with the superior properties of GO and HT, the prepared hybrid membranes can be used as effectively to improve the separation and permeation performance. The phase inversion process eliminated the leaching of nanoparticles from the membrane matrix. The reusability of the hybrid membrane was achieved using 0.1 mol?L^-1 NaOH solution and reused without significant reduction in lead removal efficiency. The cost analysis of the membrane was also estimated from the lab study. Therefore, the present study suggested the selective and sustainable treatment of lead from a real-life effluent.

Due to the high charge transfer efficiency compared to that of non-porous materials, porous electrodes with larger surface area and thinner solid pore walls have been widely applied in the lithium-ion battery field. Since the capacity and charge-discharge efficiency of batteries are closely related to the microstructure of porous materials, a conceptually simple and computationally efficient cellular automata (CA) framework is proposed to reconstruct the porous electrode structure and simulate the reaction-diffusion process under the irregular solid-liquid boundary in this work. This framework is consisted of an electrode generating model and a reaction-diffusion model. Electrode structures with specific geometric properties, i.e., porosity, surface area, size distribution, and eccentricity distribution can be constructed by the electrode generating model. The reaction-diffusion model is exemplified by solving the Fick’s diffusion problem and simulating the cyclic voltammetry (CV) process. The discharging process in the lithium-ion battery are simulated through combining the above two CA models, and the simulation results are consistent with the well-known pseudo-two-dimensional (P2D) model. In addition, a set of electrodes with different microstructures are constructed and their reaction efficiencies are evaluated. The results indicate that there is an optimum combination of porosity and particle size for discharge efficiency. This framework is a promising one for studying the effect of electrode microstructure on battery performance due to its fully synchronous computation way, easy handled boundary conditions, and free of convergence concerns.

Access to fresh water, its availability, and its quality are a global challenge to humanity, largely due to human activities in the environment. Thus, global water security has been jeopardized, requiring urgent remediation to safeguard our very existence. Hence, a novel and facilely engineered zirconium and polyethylenimine adsorbent based on tiger nut residue (TNR) was prepared, and its adsorptive capabilities towards a model dyestuff and nutrient were invested through a batch adsorption method. The developed adsorbent, zirconium-polyethylenimine-engineered tiger nut residue (TNR@PEI-Zr) was characterised by scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction analysis, and X-ray photoelectron spectroscopy to understand its morphology and surface chemistry and predict its adsorption mechanism. TNR@PEI-Zr had a pH point of zero charge (pH_zpc) of 6.7. The introduction of salts inhibited the removal efficiency of Alizarin red (AR) and phosphate (PO₄^3-) in the order of HCO₃^- > SO₄^2- > Cl^-. Increasing temperatures (293-313 K) favoured the adsorption process at pH 3. The Langmuir model suited the adsorption processes of both AR and PO₄^3-, implying homogenous and monolayer removal of pollutants with a maximal capacity of 537.8 mg·g^-1 and 100.5 mg·g^-1 at a dose of 0.01 g, respectively. The rate-determining steps of AR and PO₄^3- followed a pseudo-second-order kinetic model and were thermodynamically spontaneous with an increase in randomness at the solid-solution interface. The adsorbent’s recyclability was notable and outperformed most adsorbents in terms of removal efficiency. TNR@PEI-Zr was found to be stable, and its use in practical wastewater decontamination was effective, ecologically acceptable and free of secondary pollution problems.

In the reaction process of carbonate desulfurization lead paste, the produced PbCO₃ is easily wrapped in the outer periphery of PbSO₄ to form a product layer, hindering the mass transfer process. Therefore, it is necessary to break the PbCO₃ product layer. In this work, the rotor stator-reinforced reactor was selected as the enhanced desulfurization reactor for the purpose of breaking the PbCO₃ product layer and promoting mass transfer. The breakage process of the PbCO₃ product layer generated during the PbSO₄ desulfurization was modeled. Computational fluid dynamics simulation to the rotation conditions was carried out to theoretically analyze the fluid flow characteristics of PbSO₄ slurry and the wall shear stress affecting the breakage of PbCO₃ product layer. By optimizing the rotation conditions, the distribution ratio of effective rotor wall shear stress range achieved 96.1%, and the stator wall shear stress range reached 99.15% under a rotation of 2000 r·min^-1. The research work provides a reference for analysis of the mechanism of product layer breakage in the PbSO₄ desulfurization process, and gives a clear and intuitive systematic study on the fluid flow characteristics and wall shear stress of the desulfurization reactor.