The Co₃O₄ nanoparticles, dominated by a catalytically active (110) lattice plane, were synthesized as a low-temperature NO_x adsorbent to control the cold start emissions from vehicles. These nanoparticles boast a substantial quantity of active chemisorbed oxygen and lattice oxygen, which exhibited a NO_x uptake capacity commensurate with Pd/SSZ-13 at 100°C. The primary NO_x release temperature falls within a temperature range of 200–350°C, making it perfectly suitable for diesel engines. The characterization results demonstrate that chemisorbed oxygen facilitate nitro/nitrites intermediates formation, contributing to the NO_x storage at 100°C, while the nitrites begin to decompose within the 150–200°C range. Fortunately, lattice oxygen likely becomes involved in the activation of nitrites into more stable nitrate within this particular temperature range. The concurrent processes of nitrites decomposition and its conversion to nitrates results in a minimal NO_x release between the temperatures of 150–200°C. The nitrate formed via lattice oxygen mainly induces the NO_x to be released as NO₂ within a temperature range of 200–350°C, which is advantageous in enhancing the NO_x activity of downstream NH₃-SCR catalysts, by boosting the fast SCR reaction pathway. Thanks to its low cost, considerable NO_x absorption capacity, and optimal release temperature, Co₃O₄ demonstrates potential as an effective material for passive NO_x adsorber applications.

To produce paraffin from hydrogenation/deoxygenation of palmitic acid, model compound of bio-oil obtained by hydrothermal liquefaction (HTL) of microalgaehas been an attractive focus in recent years. In order to avoid energy-intensive separation process of water and bio-oil, it is of importance that deoxygenation upgrading of fatty acids under hydrothermal conditions similar to HTL process. Herein, it is the first time to explore the application of activated carbon (AC)-supported non-noble-metal catalysts, such as Ni, Co, and Mo, and so on, in the hydrothermal hydrogenation/deoxygenation of long-chain fatty acids, and the obtained Ni/AC–H (the Ni/AC was further H₂ pre-reduced) is one of the best catalysts. In addition, it is found that the catalytic activity can be further improved by H₂ pre-reduction of catalyst. Characterization results that are more low valences of nickel and oxygen vacancy can be obtained after H₂ pre-reduction, thus significant promoting the deoxygenation especially the decarbonylation pathway of fatty acids. The total alkanes yield can reaches 95.9 % at optimal conditions (280°C, 360min). This work confirmed that the low-priced AC-supported non-noble-metal catalysts have great potential compared with the noble-metal catalyst, in hydrothermal upgrading of bio-oil.

Herein, binary mixed brushes consisting of poly(2-methyl-2-oxazoline) (PMOXA) and poly(2-(dimethylamine)ethyl methacrylate) (PDMAEMA) with different chain lengths were fabricated by successive grafting of NH₂-terminated PMOXA and SH-terminated PDMAEMA onto polydopamine-anchored substrates. The mixed-brushcoating was characterized by variable-angle spectroscopic ellipsometry, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, zeta potential measurements, water contact angle, and atomic force microscopy. The mixed brushes showed tunable surface charge, wettability, and surface roughness, depending on the degree of PDMAEMA swelling under varying pH and ionic strength (I). Then the adsorption behaviors of pepsin, bovine serum albumin (BSA), γ-globulin, and lysozyme, four very different proteins with regard to isoelectric point, on the mixed brushes coating were studied by using fluorescence microscopy and surface plasmon resonance. When the chain length of PDMAEMA was about twice as long as PMOXA, the mixed brushes not only had high adsorption capacity for pepsin, BSA, and γ-globulinbut also had a desorption efficiency of 86.9%, 87.1%, and 93.5%, respectively. It is explained that electrostatic attraction between the protonated PDMAEMA and positively charged acidic proteins (pepsin and BSA, whose isoelectric points were below the pK_a of PDMAEMA) would drive the intensive adsorption (at pH 3, I=10^-3mol·L^-1 for pepsin, and pH 5, I=10^-5mol·L^-1 for BSA), while desorption was dominated by the hydrophilic PMOXA when PDMAEMA was shrinking (at pH 7, I=10^-1mol·L^-1 for pepsin, and pH 9, I=10^-1mol·L^-1 for BSA). Furthermore, the isoelectric precipitation led to the adsorption of neutral protein (γ-globulin, whose isoelectric point was near the pK_a of PDMAEMA) at pH 7, I=10^-5mol·L^-1, while electrostatic repulsion and antifouling PMOXA triggered the desorption of γ-globulin at pH 3, I=10^-1mol·L^-1. However, alkaline protein (lysozyme, whose isoelectric point was higher than the pK_a of PDMAEMA) exhibited slight adsorption on PMOXA/PDMAEMA mixed brushes under test conditions, regardless of whether PMOXA or PDMAEMA occupied the outermost layer. The antibacterial property of the mixed brushes against Escherichia coli was investigated. PMOXA/PDMAEMA mixed brushes showed significant bactericidal activity at pH 3, I=10^-3mol·L^-1, while the rinse of pH 9, I=10^-1mol·L^-1 solution could remove most of the residual bacteria. This work not only enables controlled adsorption of proteins with different isoelectric pointsbut also ensures that the surface of the coating is minimized from bacterial contamination.

The occurrence of ultrafiltration (UF) membrane fouling frequently hampers the sustainable advancement of UF technology. Reactive self-cleaning UF membranes can effectively alleviate the problem of membrane fouling. Nevertheless, the self-cleaning process may accelerate membrane aging. Addressing these concerns, we present an innovative design concept for composite self-healing materials based on self-cleaning UF membranes. To begin, TiO₂ nanoparticles were incorporated into the polymer molecular structure via molecular design, resulting in the synthesis of TiO₂/carboxyl-polyether sulfone (PES) hybrid materials. Subsequently, the nonsolvent-induced phase inversion technique was employed to prepare a novel of UF membrane. Lastly, a polyvinyl alcohol (PVA) hydrogel coating was applied to the hybrid UF membrane surface to create PVA@TiO₂/carboxyl-PES self-healing reactive UF membranes. By establishing a covalent bond, the TiO₂ nanoparticles were effectively and uniformly dispersed within the UF membrane, leading to exceptional self-cleaning properties. Furthermore, the water-absorbing and swelling properties of PVA hydrogel, along with its capacity to form hydrogen bonds with water molecules, resulted in UF membranes with improved hydrophilicity and active self-healing abilities. The results demonstrated that the water contact angle of PVA@5%TiO₂/carboxyl-PES UF membrane was 43.1°. Following a 1-h exposure to simulated solar exposure, the water flux recovery ratio increased from 48.16% to 81.03 %. Moreover, even after undergoing five cycles of 12-h simulated sunlight exposure, the UF membranes exhibited a consistent retention rate of over 97 %, thus fully demonstrating their exceptional self-cleaning, antifouling, and self-healing capabilities. We anticipate that the self-healing reactive UF membrane system will serve as a pioneering and comprehensive solution for the self-cleaning antifouling challenges encountered in UF membraneswhile also effectively mitigating the aging effects of reactive UF membranes.

For the use of green hydrogen energy, it is crucial to have efficient photocatalytic activity for hydrogen generation by water reforming of methanol under mild conditions. Much attention has been paid to g-C₃N₄ as a promising photocatalyst for the generation of hydrogen. To improve the separation of photogenerated charge, porous nanosheet g-C₃N₄ was modified with Pt nanoclusters (Pt/g-C₃N₄) through impregnation and following photo-induced reduction. This catalyst showed excellent photocatalytic activity of water reforming of methanol for hydrogen production with a 17.12mmol·g^-1·h^-1 rate at room temperature, which was 311 times higher than that of the unmodified g-C₃N₄. The strong interactions of Pt–N in Pt/g-C₃N₄ constructed effective electron transfer channels to promote the separation of photo-generated electrons and holes effectively. In addition, in-situ infrared spectroscopy was used to investigate the intermediates of the hydrogen production reaction, which proved that methanol and water eventually turn into H₂ and CO₂ via formaldehyde and formate. This study provides insights for understanding the photocatalytic hydrogen production in the water reforming of methanol.

A seed-directed approach to synthesizing FeZSM-22 zeolite without organic structure directing agent (OSDA) was developed by using Fe-rich diatomite as all aluminum and iron sources. The FeZSM-22 zeolite with optimal crystallinity and purity can be obtained by systematically adjusting feed composition and synthesis conditions. Characterizations show that FeZSM-22 zeolite synthesized with OSDA-free owns high crystallinity, obvious thin needle-shaped morphology and high Bronsted/Lewisacid ratio. Significantly, when used for n-octane hydroisomerization reaction, its derived catalyst exhibits the best catalytic performance reflected by the highest selectivity to C₈ isomers compared to the two reference catalysts prepared based on a Fe-containing and a Fe-free ZSM-22 synthesized through an OSDA-directed route from natural diatomite and conventional chemicals, respectively. This work provides an alternative route to sustainably synthesizing heteroatomic zeolites with high performance.

The adsorption process of droplets on the liquid-liquid interface and phase separation process can regulate the spatial distribution of the fluid system, which are crucial for chemical engineering. However, the cross-linking reaction, which is widely used in the field of polymers, can change the physical properties of the fluids and affect the flow behavior accordingly. A configuration of microchannels is designed to conveniently generate uniform droplets in one phase of the parallel flow. The flow behavior of the adsorption process of sodium alginate droplets on the liquid–liquid interface is investigated, and the subsequent process of phase separation is studied. In the process of droplet adsorption, the cross-linking reaction occurs synchronously, which makes the droplet viscosity and the elasticity modules of the droplet surface increase, thus affecting the dynamics of the adsorption process and the equilibrium shape of the droplet. The variation of the adsorption length with time is divided into three stages, which all conform to power law relationship. The exponents of the second and third stages deviate from the results of the Tanner's law. The flow pattern maps of droplet adsorption and phase separation are drawn, and the operating ranges of complete adsorption and complete separation are provided. This study provides a theoretical basis for further studying the flow behavior of droplets with cross-linking reaction in a microchannel.

An artificial neural network (ANN) method is introduced to predict drop size in two kinds of pulsed columns with small-scale data sets. After training, the deviation between calculate and experimental results are 3.8 % and 9.3 %, respectively. Through ANN model, the influence of interfacial tension and pulsation intensity on the droplet diameter has been developed. Droplet size gradually increases with the increase of interfacial tension, and decreases with the increase of pulse intensity. It can be seen that the accuracy of ANN model in predicting droplet size outside the training set range is reach the same level as the accuracy of correlation obtained based on experiments within this range. For two kinds of columns, the drop size prediction deviations of ANN model are 9.6 % and 18.5 % and the deviations in correlations are 11 % and 15 %.

Graphene-based materials possess significant potential for the treatment of dye wastewater due to their exceptional adsorption properties toward stubborn pollutants. However, their utilization is hindered by high preparation costs, low yields, environmental pollution during synthesis, and challenges in regenerating the adsorbent. This study proposes a novel approach to address these limitations by developing nitrogen-doped three-dimensional (3D) polyvinyl alcohol (PVA) cross-linked graphene sponges (N-PGA) using a cross-linking method with ammonium carbonate. This method offers a relatively mild, environmentally friendly approach. Ammonium carbonate serves as both a reducing and modifying agent, facilitating the formation of the intrinsic structure of N-PGA and acting as a nitrogen source. Meanwhile, PVAis utilized as the cross-linking agent. The results demonstrate that N-PGA exhibits a favorable internal 3D hierarchical porous structure and possesses robust mechanical properties. The measured specific surface area (BET) of N-PGA was as high as 406.538m²·g^-1, which was favorable for its efficient adsorption of Congo red (CR) dye molecules. At an initial concentration of 50mg·L^-1, N-PGA achieved an impressive removal rate of 89.6% and an adsorption capacity of 112mg·g^-1 for CRdye. Furthermore, it retained 79% of its initial adsorption capacity after 10 cycles, demonstrating excellent regeneration performance. In summary, the synthesized N-PGA displays remarkable efficacy in the adsorption of CR dye in wastewater, opening up new possibilities for utilizing 3D porous graphene nanomaterials as efficient adsorbents in wastewater treatment.

Light olefins is the incredibly important materials in chemical industry. Methanol to olefins (MTO), which provides a non-oil route for light olefins production, received considerable attention in the past decades. However, the catalyst deactivation is an inevitable feature in MTO processes, and regeneration, therefore, is one of the key steps in industrial MTO processes. Traditionally the MTO catalyst is regenerated by removing the deposited coke via air combustion, which unavoidably transforms coke into carbon dioxide and reduces the carbon utilization efficiency. Recent study shows that the coke species over MTO catalyst can be regenerated via steam, which can promote the light olefins yield as the deactivated coke species can be essentially transferred to industrially useful synthesis gas, is a promising pathway for further MTO processes development. In this work, we modelled and analyzed these two MTO regeneration methods in terms of carbon utilization efficiency and technology economics. As shown, the steam regeneration could achieve a carbon utilization efficiency of 84.31 %, compared to 74.74 % for air combustion regeneration. The MTO processes using steam regeneration can essentially achieve the near-zero carbon emission. In addition, light olefins production of the MTO processes using steam regeneration is 12.81 % higher than that using air combustion regeneration. In this regard, steam regeneration could be considered as a potential yet promising regeneration method for further MTO processes, showing not only great environmental benefits but also competitive economic performance.

Lignin is the most abundant naturally phenolic biomass, and the synthesis of high-performance renewable fuel from lignin has attracted significant attention. We propose the efficient synthesis of high-density fuels using simulated lignin cracked oil in tandem with hydroalkylation and deoxygenation reactions. First, we investigated the reaction pathway for the hydroalkylation of phenol, which competes with the hydrodeoxygenation form cyclohexane. And then, we investigated the effects of metal catalyst types, the loading amount of metallic, acid dosage, and reactant ratio on the reaction results. The phenol hydroalkylation and hydrodeoxygenation were balanced when 180°C and 5MPa H₂ with the alkanes yield of 95%. By extending the substrate to other lignin-derived phenolics and simulated lignin cracked oil, we obtained the polycyclic alkane fuel with high density of 0.918g·ml^-1 and calorific value of 41.2MJ·L^-1. Besides, the fuel has good low-temperature properties (viscosity of 9.3mm²·s^-1at 20°C and freezing point below-55°C), which is expected to be used as jet fuel. This work provides a promising way for the easy and green production of high-density fuel directly from real lignin oil.

Gold (Au) and palladium (Pd) play an increasing role in the production and human life; Therefore, it is of great significance to study their recovery. A 5,11,17,23-tetra-ethylthio-25,26,27,28-tetra-hydroxyl thiacalix[4]arene (TCAET) was synthesized specifically for the capture of Au(Ⅲ) and Pd(Ⅱ) from HCl medium by liquid–liquid extraction. In a 0.1 mol·L^-1 HCl medium, the transfer of Au(Ⅲ) and Pd(Ⅱ) from the aqueous phase to the organic phase was highly efficient, with a transfer ratio of 100% for Au(Ⅲ) and 98% for Pd(Ⅱ). Furthermore, the extraction equilibrium time for Au(Ⅲ) was just 5min. Job’s method data demonstrated that TCAET formed complexes with Au(III) and Pd(II) in a ratio of 2:3 and 1:1, respectively, during the extraction process. TCAET showed high selectivity toward Pd(II) and Au(III) over other competing metal ions. Moreover, both Au(Ⅲ) and Pd(II) could be successfully stripped from the loaded organic phases with a 1.0 mol·L^-1 thiourea in 0.5mol·L^-1 HCl and 0.5mol·L^-1 thiourea in 0.5mol·L^-1 HCl, respectively. Results obtained from five consecutive extraction-stripping cycles showed good reusability of TCAET toward Au(Ⅲ) and Pd(Ⅱ) recovery. The conclusion can provide a certain reference for thiacalixarene in the recovery of precious metal species.

Mixing behavior is critical for enhancing the selectivity of fast chemical reactions in microreactors. A high Reynolds number (Re) improves the mixing rate and selectivity of the reactions, but some exceptions of increasing side product yield with the higher Re have been reported. This study investigated the mixing uniformity in microreactors with in-line UV–vis spectroscopy to clarify the relationship between reaction selectivity and chaotic mixing with the higher Re. A colorization experiment of thymolphthalein in an acidic solution was conducted with an excess acid amount to the base to indicate a non-uniformly mixed region. Non-uniformity significantly increased with Re. At the same time, the degree of mixing, which was measured by a usual decolorization experiment, showed that the mixing rate increased with Re. The in-line analysis of the Villermaux–Dushman reaction during the mixing clarified that side product yield significantly increased with Re at around 300 and then decreased at around 1100. These results suggest the compensation effect between the mixing uniformity and mixing rate on the selectivity of the mixing-sensitive reactions. Faster mixing, characterized by a larger Re, can disturb mixing uniformity and, in some cases, decrease reaction selectivity.

The solubility of H₂S was measured in solutions of N-butyl-N-methylmorpholine acetate ([Bmmorp][Ac]) containing 20 %–40 % (mass) water at experimental temperatures ranged from 298.15 to 328.15K and pressures up to 320kPa. The total solubility of H₂S increased with higher temperatures, lower pressures, and reduced water content. The reaction equilibrium thermodynamic model was used to correlate the solubility data. The results indicate that the chemical reaction equilibrium constant decrease with increasing water content and temperature, whereas Henryconstant increase with increasing water content and temperature. Compared with other ionic liquids, H₂S exhibits a higher physical absorption enthalpy and a lower chemical absorption enthalpy in [Bmmorp][Ac] aqueous solution. This suggests that [Bmmorp][Ac] has a strong physical affinity for H₂S and low energy requirement for desorption. Quantum chemical methods were used to investigate the molecular mechanism of H₂S absorption in ionic liquids. The interaction energy analysis revealed that the binding of H₂S with the ionic liquid in a 1:2 ratio is more stable. Detailed analyses by the methods of the interaction region indicator and the atoms in molecules were conducted to the interactions between H₂S and the ionic liquid.

High-temperature treatment is key to the preparation of zeolite catalysts. Herein, the effects of high-temperature treatment on the property and performance of HZSM-5 zeolites were studied in this work. X-Ray diffraction, N₂ physisorption, ²⁷Al magic angle spinning nuclear magnetic resonance (MAS NMR), and temperature-programmed desorption of ammonia results indicated that the high-temperature treatment at 650°C hardly affected the inherent crystal and texture of HZSM-5 zeolitesbut facilitated the conversion of framework Al to extra-framework Al, reducing the acid site and enhancing the acid strength. Moreover, the high-temperature treatment improved the performance of HZSM-5 zeolites in n-heptane catalytic cracking, promoting the conversion and light olefins yield while inhibiting coke formation. Based on the kinetic and mechanism analysis, the improvement of HZSM-5 performance caused by high-temperature treatment has been attributed to the formation of extra-framework Al, which enhanced the acid strength, facilitated the bimolecular reaction, and promoted the entropy change to overcome a higher energy barrier in n-heptane catalytic cracking.

Optimizing multistage processes, such as distillation or absorption, is a complex mixed-integer nonlinear programming (MINLP) problem. Relaxing integer into continuous variables and solving the easier nonlinear programming (NLP) problem is an optimization idea for the multistage process. In this article, we propose a relaxation method based on the efficiency parameter. When the efficiency parameter is 1 or 0, the proposed model is equivalent to the complete existence or inexistence of the equilibrium stage. And non-integer efficiency represents partial existence. A multi-component absorption case shows a natural penalty for non-integer efficiency, which can assist the efficiency parameter converging to 0 or 1. However, its penalty is weaker than the existing relaxation models, such as the bypass efficiency model. In a simple distillation case, we show that this property can weaken the nonconvexity of the optimization problem and increase the probability of obtaining better optimization results.

The selective hydrogenation of highly toxic phenolic compounds to generate alcohols with thermal stability, environmental friendliness, and non-toxicity is of great importance. Herein, a series of Co-based catalysts, named Co@NCNTs, were designed and constructed by direct pyrolysis of hollow ZIF-67 (HZIF-67) under H₂/Ar atmosphere. The evolution of the catalyst surface from the shell layer assembled by ZIF-67-derived particles to the in situ-grown hollow nitrogen-doped carbon nanotubes (NCNTs) with certain length and density is achieved by adjusting the pyrolysis atmosphere and temperature. Due to the synergistic effects of in situ-formed hollow NCNTs, well-dispersed Co nanoparticles, and intact carbon matrix, the as-prepared Co@NCNTs-0.10-450 catalyst exhibits superior catalytic performance in the hydrogenation of phenolic compounds to alcohols. The turnover frequencyvalue of Co@NCNTs-0.10-450 is 3.52h^-1, 5.9 times higher than that of Co@NCNTs-0.40-450 and 4.5 times higher than that of Co@NCNTs-0.10-550, exceeding most previously reported non-noble metal catalysts. Our findings provide new insights into the development of non-precious metal, efficient, and cost-effective metal–organic framework-derived catalysts for the hydrogenation of phenolic compounds to alcohols.

Concentrate copper grade (CCG) is one of the important production indicators of copper flotation processes, and keeping the CCG at the set value is of great significance to the economic benefit of copper flotation industrial processes. This paper addresses the fluctuation problem of CCG through an operational optimization method. Firstly, a density-based affinity propagationalgorithm is proposed so that more ideal working condition categories can be obtained for the complex raw ore properties. Next, a Bayesian network (BN) is applied to explore the relationship between the operational variables and the CCG. Based on the analysis results of BN, a weighted Gaussian process regression model is constructed to predict the CCG that a higher prediction accuracy can be obtained. To ensure the predicted CCG is close to the set value with a smaller magnitude of the operation adjustments and a smaller uncertainty of the prediction results, an index-oriented adaptive differential evolution (IOADE) algorithm is proposed, and the convergence performance of IOADE is superior to the traditional differential evolutionand adaptive differential evolutionmethods. Finally, the effectiveness and feasibility of the proposed methods are verified by the experiments on a copper flotation industrial process.

Extensive experimental studies have been performed on the Diels–Alder (DA) reactions in ionic liquids (ILs), which demonstrate that the IL environment can significantly influence the reaction rates and selectivity. However, the underlying microscopic mechanism remains ambiguous. In this work, the multiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF₆]) solvent on the reaction of cyclopentadiene (CP) with acrolein, methyl acrylate, or acrylonitrile. By analyzing the free energy landscape during the reaction, it is found that the polarization effect has a relatively small influence, while the solvation effect makes both the activation free energy and reaction free energy decrease. In addition, the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion, and this indicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions.

Silicon-containing aryl acetylene resin (PSA) is a new type of high-temperature resistant resin with excellent oxidation resistance, whereas antioxidant reaction mechanism of PSA resin under ultra-high temperatures still remains unclear. Herein, the oxidation behavior and mechanisms of PSA resin are systematically investigated combining kinetic analysis and ReaxFF molecular dynamics (MD) simulations. Thermogravimetric analysis indicates that the oxidation process of PSA resin undergoes two main steps: oxidative mass gain and oxidative degradation. The distributed activation energy model (DAEM) is employed for describing oxidation processes and the best-fit one is obtained using genetic algorithms and differential evolution. DAEM model demonstrates that the oxidative weight gain stage is dominated by two virtual reactants and the oxidative degradation stage consists of three virtual reactants. Correspondingly, the observation of MD reaction pathways indicates that oxygen oxidation of unsaturated structures occurs in the initial stage, which results in the formation of PSA resin oxides. Furthermore, cracked pieces react with O₂ to generate CO and other chemicals in the second step. The resin matrix's great antioxidation resilience is illustrated by the formation of SiO₂. The analysis based on MD simulations exhibits an efficient computational proof with the experiments and DAEM methods. Based on the results, a two-stage reaction mechanism is proposed, which provides important theoretical support for the subsequent study of the oxidation behavior of silica-based resins.

A rotating packed bed is a typical chemical process enhancement equipment that can strengthen micromixing and mass transfer. During the operation of the rotating packed bed, the nonreactants and products irregularly adhere to the wire mesh packing in the rotor, thus resulting in an imbalance in the vibration of the rotor, which may cause serious damage to the bearing and material leakage. This study proposes a model prediction for estimating the bearing residual life of a rotating packed bed based on rotor imbalance response analysis. This method is used to determine the influence of the mass on the imbalance in the vibration of the rotor on bearing damage. The major influence on rotor vibration was found to be exerted by the imbalanced mass and its distribution radius, as revealed by the results of orthogonal experiments. Through implementing finite element analysis, the imbalance response curve for the rotating packed bed rotor was obtained, and a correlation among rotor imbalance mass, distribution radius of imbalance mass, and bearing residue life was established via data fitting. The predicted value of the bearing life can be used as the reference basis for an early safety warning of a rotating packed bed to effectively avoid accidents.

Mordenite with different Si/Al ratios were synthesized by solvent-free method and used for dimethyl ether (DME) carbonylation reaction. The influence of Si/Al ratio in the feedstock on the structure, porosity and acid sites were systematically investigated. The characterization results showed that with the increase of Si/Al ratio in the feedstock, part of silicon species fail to enter the skeleton and the specific surface area and pore volume of the samples decreased. The amount of weak acid and medium strong acid decreased alongside with the increasing Si/Al ratio, and the amount of strong acid slightly increased. The Al atoms preferentially enter the strong acid sites in the 8 member ring (MR) channel during the crystallization process. The high Si/Al ratio sample had more acid sites located in the 8 MR channel, leading to more active sites for carbonylation reaction and higher catalytic performance. Appropriately increasing the Si/Al ratio was beneficial for the improvement of carbonylation reaction activity over the mordenite (MOR) catalyst.

This study developed a numerical model to efficiently treat solid waste magnesium nitrate hydrate through multi-step chemical reactions. The model simulates two-phase flow, heat, and mass transfer processes in a pyrolysis furnace to improve the decomposition rate of magnesium nitrate. The performance of multi-nozzle and single-nozzle injection methods was evaluated, and the effects of primary and secondary nozzle flow ratios, velocity ratios, and secondary nozzle inclination angles on the decomposition rate were investigated. Results indicate that multi-nozzle injection has a higher conversion efficiency and decomposition rate than single-nozzle injection, with a 10.3 % higher conversion rate under the design parameters. The decomposition rate is primarily dependent on the average residence time of particles, which can be increased by decreasing flow rate and velocity ratios and increasing the inclination angle of secondary nozzles. The optimal parameters are injection flow ratio of 40 %, injection velocity ratio of 0.6, and secondary nozzle inclination of 30°, corresponding to a maximum decomposition rate of 99.33 %.

In the realm of the synthesis of heat-integrated distillation configurations, the conventional approach for exploring more heat integration possibilities typically entails the splitting of a single column into a two-column configuration. However, this approach frequently necessitates tedious enumeration procedures, resulting in a considerable computational burden. To surmount this formidable challenge, the present study introduces an innovative remedy: The proposition of a superstructure that encompasses both single-column and multiple two-column configurations. Additionally, a simultaneous optimization algorithm is applied to optimize both the process parameters and heat integration structures of the two-column configurations. The effectiveness of this approach is demonstrated through a case study focusing on industrial organosilicon separation. The results underscore that the superstructure methodology not only substantially mitigates computational time compared to exhaustive enumeration but also furnishes solutions that exhibit comparable performance.

Pesticide adjuvants, as crop protection products, have been widely used to reduce drift loss and improve utilization efficiency by regulating droplet spectrum. However, the coordinated regulation mechanisms of adjuvants and nozzles on droplet spectrum remain unclear. Here, we established the relationship between droplet spectrum evolution and liquid atomization by investigating the typical characteristics of droplet diameter distribution near the nozzle. Based on this, the regulation mechanisms of distinctive pesticide adjuvants on droplet spectrum were clarified, and the corresponding drift reduction performances were quantitively evaluated by wind tunnel experiments. It shows that the droplet diameter firstly shifts to the smaller due to the liquid sheet breakup and then prefers to increase caused by droplet interactions. Reducing the surface tension of sprayed liquid facilitates the uniform liquid breakup and increasing the viscosity inhibits the liquid deformation, which prolong the atomization process and effectively improve the droplet spectrum. As a result, the drift losses of flat-fan and hollow cone nozzles are reduced by about 50 % after adding organosilicon and vegetable oil adjuvants. By contrast, the air induction nozzle shows a superior anti-drift ability, regardless of distinctive adjuvants. Our findings provide insights into rational adjuvant design and nozzle selection in the field application.

The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients (APIs) with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations. In this work, a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors. Under the few-shot learning framework, thermodynamic theory (perturbed-chain statistical associating fluid theory) was used for data augmentation, and computational chemistry was applied for molecular descriptors’ screening. The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately, broaden the solubility data of APIs in polymers, and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully, which provided efficient guidance for the development of pharmaceutical formulations.

In order to avoid the formation of η phase (W₆Co₆C or W₃Co₃C) that adversely affects the sintering process and its products in the preparation process of ultra-fine WC-Co powder, a technical route of pre-reduction of WO₃–Co₃O₄ to WO₂–Co and then deep reduction carbonization to WC-Co powder has been proposed. This study mainly investigates the influence of gas partial pressure on the pre-reduction process of WO₃–Co₃O₄ under a mixed atmosphere of H₂–C₂H₄–Ar at 600°Cand establishes the kinetic equations of pre-reduction and carbon evolution. The results indicate that increasing the partial pressure of hydrogen is conducive to the rapid and complete conversion of WO₃ to WO₂. High carbon content can be generated by the deposition of C₂H₄, and it hinders the diffusion of the reducing gas; WO₃ still cannot be completely reduced to WO₂ as the partial pressure of C₂H₄ increases to 60 %. For the carbon evolution of C₂H₄, the carbon amount is positively related to the H₂ partial pressure, but it shows the highest amount and evolution rate when the ethylene partial pressure is 20 %. Based on the reduction rate curves of WO₃ and carbon evolution rate curves of C₂H₄, the rate equations of pre-reduction and carbon evolution of WO₃–Co₃O₄ system at 600°C are established. The pre-reduction reaction belongs to the first-order reaction, and its equation is expressed as follows:The carbon deposition rate equation of C₂H₄ can be expressed as follows:

Membrane separation strategies offer promising platform for the emulsion separation. However, the low mechanical strength of membrane separation layers and the trade-off between separation flux and efficiency present significant challenges. In this study, we report a CFM@UiO-66-NH₂ membrane with high separation flux, efficiency and stability, through utilizing a robust anti-abrasion collagen fiber membrane (CFM) as the multifunctional support and UiO-66-NH₂ by an in-situ growth as the separation layer. The high mechanical strength of the CFM compensated for the weakness of the separation layer, while the charge-breaking effect of UiO-66-NH₂, along with the size sieving of its constituent separating layers and the capillary effect of the collagen fibers, contributed to the potential for efficient separation. Additionally, the CFM@UiO-66-NH₂ membrane exhibited superhydrophilic properties, making it suitable for separating oil-in-water microemulsions and nanoemulsions stabilized by anionic surfactants. The membrane demonstrated remarkable separation efficiencies of up to 99.960 % and a separation flux of 370.05L·m^-2·h^-1. Moreover, it exhibits stability, durability, and abrasion resistance, maintaining excellent separation performance even when exposed to strong acids and alkalis without any damage to its structure and performance. After six cycles of reuse, it achieved a separation flux of 417.97L·m^-2·h^-1 and a separation efficiency of 99.747 %. Furthermore, after undergoing 500 cycles of strong abrasion, the separation flux remained at 124.39L·m^-2·h^-1, with a separation efficiency of 99.992 %. These properties make it suitable for the long-term use in harsh operating environments. We attribute these properties to the electrostatic effect resulting from the amino group on UiO-66-NH₂ and its in-situ growth on the CFM, which forms a size-screening separation layer. Our work highlights the potential of the CFM@UiO-66-NH₂ membrane as an environmentally friendly size-screening material for the efficient emulsion wastewater separation.

The synergistic reaction of photocatalysis and advanced oxidation is a valid strategy for the degradation of harmful antibiotic wastewater. Herein, carbon dots (CDs) modified MIL-101(Fe) octahedrons to form CDs/MIL-101(Fe) composite photocatalyst was synthesized for visible light–driven photocatalytic/persulfate(PS)-activated tetracycline(TC) degradation. The electron spin resonance (ESR) spectra, scavenging experiment and electrochemical analysis were carried out to reveal that the high visible light–driven photocatalytic degradation activity of TC over CDs/MIL-101(Fe) photocatalysts is not only ascribed to the production of free active radicals in the CDs/MIL-101(Fe)/PS system (·OH, ·SO, ¹O₂, h and ·O₂^-)but also attributed to the consumption of electrons caused by the PS, which can suppress the recombination of photo-generated carriers as well as strong light scattering and electron trapping effects of CDs. Finally, the possible degradation pathways were proposed by analyzing intermediates via liquid chromatography–mass spectrometrytechnique. This research presents a rational design conception to construct a CDs/PS-based photocatalysis/advanced oxidation technology with high-efficient degradation activity for the remediation of organic antibiotic pollutant wastewater and for the improvement of carrier transport kinetics of photocatalysts.

Biomass-to-ethylene glycol is an effective means to achieve high-value utilisation of cellulose but is hindered by low conversion efficiency and poor catalyst activity and stability. Glucose and cellobiose are derivatives of cellulose conversion to ethylene glycol, and it is found that studying the reaction process of both can help to understand the reaction mechanism of cellulose. It is desirable to develop a reusable, highly active catalyst to convert cellulose into ethylene glycol. This ideal catalyst might have one or more active sites described the conversion steps above. Here, we discuss the catalyst development of cellulose-to-ethylene glycol, including tungsten, tin, lanthanide, and other transition metal catalysts, and special attention is given to the reaction mechanism and kinetics for preparing ethylene glycol from cellulose, and the economic advantages of biomass-to-ethylene glycol are briefly introduced. The insights given in this review will facilitate further development of efficient catalysts, for addressing the global energy crisis and climate change related to the use of fossil fuels.