Narrow-gap channels offer strong heat transfer capability and structural stability, making them suitable for high-heat-flux cooling in compact systems. This study experimentally investigates the boiling performance of a titanium narrow-gap channel under sub-atmospheric pressure using an ethylene glycol-water mixture with a mass concentration of 55%. The effects of channel height, surface condition, mass flux, inlet subcooling, and saturation temperature were systematically examined, and bubbly flow, slug flow, and micro-bubble emission boiling were observed. Channel height strongly influenced boiling behavior: the 1.0 mm and 0.5 mm channels achieved significantly higher heat transfer coefficients than the 2.0 mm channel, while the 0.5 mm channel exhibited a much larger pressure drop, making the 1.0 mm channel the most practical configuration. Surface oxidation was identified as a major degradation factor, altering wettability, reducing nucleation-site activity, and causing periodic boiling crises that sharply reduced performance. Increasing mass flux improved the average heat transfer coefficient by enhancing convection and bubble removal, although the nucleate boiling enhancement factor decreased from 1.66 to 1.30 as nucleation became suppressed. Reducing the inlet subcooling from 30℃ to 20℃ promoted earlier boiling and more vigorous vapor generation, increasing the heat transfer coefficient by 65%. These results clarify how geometric, surface, and thermal-hydraulic parameters jointly control boiling in titanium narrow-gap channels and provide guidance for designing high-heat-flux cooling systems.

Pesticide contamination is a growing global environmental concern. Among various remediation methods, adsorption from wastewater remains one of the most cost-effective strategies. Graphene-based nanomaterials have been identified as promising candidates for this purpose. Recently, nanoscale graphene oxide (GO) has attracted interests due to its size compatibility with pesticide molecules, good biocompatibility, and low cytotoxicity, making it a potential pesticide sorbent. While a previous study revealed the adsorption mechanisms of individual pesticides (cyfluthrin (CFT), diazinon (DZ), and ivermectin (IVM))) onto nanoscale GO, the adsorption of mixed pesticides remains underexplored. This study investigates the adsorption of mixed pesticides (CFT, DZ, and IVM) onto GO with varying oxygen contents (25% (GO25) and 40% (GO40)) compared to pristine graphene (PG) using Molecular Dynamics (MD) simulations. The results reveal spontaneous competitive pesticide adsorption on all surfaces driven by alkyl-π and π-π interactions with the graphene-like regions. PG shows the most effective sorbent, while GO40 is the worst resulting in the highly shuffling motion of pesticides. IVM exhibits the strongest affinity across all materials and shows the highest surface occupancy, with its binding behaviour unaffected by oxygen content. In contrast, the CFT and DZ adsorption varies with GO oxygenation levels suggesting that surface functionalization can be tuned to selectively target specific pesticides. Pesticide clustering is also observed. IVM acts as a central anchor molecule through alkyl-π and π-π interactions and hydrogen bonds. These findings highlight the potential of nanoscale graphene materials as customizable sorbents for pest control.

This research provides insights into the characteristics of biochar produced through pyrolysis below 500℃. These biochars often show surface inaccessibility due to pore blockage caused by heavy condensed vapors, known as tar, generated during biomass pyrolysis. The N₂ adsorption-desorption isotherms, determining the Brunauer-Emmett-Teller specific surface area(BET-SSA), were initially investigated after Soxhlet solvent extraction of the tar from a biochar obtained by pyrolyzing spruce-based biomass at 475℃. Solvent extraction proved to be a relatively effective method, allowing N₂ gas molecules to access the pores. However, this objective was achieved only with appropriate polar aprotic solvents such as dimethyl sulfoxide, resulting in an SSA of 21 m²·g^{- 1}. The SSA development of the untreated biochar was then studied using different vacuum degassing conditions implementing response surface methodology. The degassing temperature, a key parameter that affects factors such as sample mass and degassing time, should be kept below 400℃ to preserve the surface morphology of the biochar.

Atrazine (ATZ) is a highly applicable neurogenic herbicide in crops. Due to its triazine structure, ATZ is durable in nature and difficult to degrade, posing serious environmental and health threats. In this work, a rotating packed bed reactor integrated with plasma(plasma-RPB)was employed to degrade ATZ. The effects of operating conditions and typical water matrix components were systematically evaluated. Results demonstrated that increasing rotational speed and discharge power enhanced degradation efficiency, while higher initial ATZ concentrations inhibited removal. Among common water matrix species, and Cl^- exhibited inhibitory effects, Cu²⁺significantly suppressed degradation, whereas showed little impact. Ultra performance liquid chromatography-mass spectrometry analysis revealed that ATZ was mainly degraded via dealkylation and hydroxyl substitution, producing cyanuric acid and eventually undergoing ring opening. To enhance process robustness against inhibitory water matrices, peroxymonosulfate (PMS) integration was investigated as an intensification strategy. Utilizing the multiple activation pathways in the plasma environment, PMS was effectively activated to generate additional sulfate radicals. Under optimized conditions, degradation efficiency and total organic carbon removal of actual industrial wastewater reached 99% and 90% within 20 min, respectively. This study highlights plasma-RPB, particularly when synergized with PMS, as a promising technology for pesticide wastewater treatment.

The present study prepared aluminum-functionalized hydrochars through a single-step hydrothermal carbonization reaction of sewage sludge using various Al precursors (namely AlCl₃, Al₂(SO₄)₃, Al(NO₃)₃, Al(OH)₃, and Al₂O₃). We found that ligand properties and hydrolysis pathways determine the formation of Al(OH)₃/AlOOH and low-reactivity Al₂O₃ regions, thereby regulating the density and accessibility of surface Al―OH sites and thus affecting fluoride binding. X-ray photoelectron spectroscopy (XPS) analysis revealed that Cl^- , by forming [AlCl(H₂O)₅]²⁺ species through coordination, retarded the hydrolysis kinetics and promoted the synergistic formation of Al(OH)₃ (39.04%) and AlOOH (47.52%).Conversely speaking, induced the oriented growth of layered hydroxides through a templating effect, while the weak coordination capability of led to dehydroxylation and the predominant formation of inert Al₂O₃ (20.92%) with low―OH functionality. Under optimized conditions (30% AlCl₃), organic decomposition increased BET surface area to 111.54 m²·g^{- 1} (44% over unmodified hydrochar), yielding Langmuir capacity of 24.10 mg·g^{- 1} (10-fold enhancement) via pseudo-second-order kinetics and Freundlich isotherms. Fluoride sequestration primarily occurred through hydroxyl-fluoride ligand exchange, which was augmented by electrostatic interactions and mesoporous confinement. The hydrochar retained 70% capacity over five cycles, with anion interference followed the order: ＞＞＞Cl^-. These findings highlight the potential of aluminum-modified hydrochar for efficient removal of fluoride from aqueous solutions and resource valorization of sewage sludge.

As a high-quality carbon source, this study employed the gradient acid precipitation method to separate and extract bamboo lignin (BL) fractions from alkaline pulping black liquor, aiming to investigate the influence of BL fraction on the yield of lignin-derived carbon supported tin oxide (SnO_x/LC) and its catalytic performance in the conversion of glucose to 5-hydroxymethylfurfural (5-HMF), utilizing various testing methods for detailed characterization. The characterization results revealed that SnO_x/LC-2 was thermally stable with both Lewis acid and Brønsted acid sites, and the Sn element was uniformlmly dispersed on carbon carrier surface. In addition, with decreasing pH of black liquor, the molecular weight and polydispersity of BL fraction were significantly reduced, and its structural homogeneity was effectively improved. More importantly, the relative content of syringl unit and the content difference between phenolic hydroxyl and carboxylic acid groups in the structure of BL fractions both showed linear negative correlations with 5-HMF yield, which revealed the constitutive relationship between the molecular structural features of lignin and the catalytic performance of SnO_x/LC, thus contributing to the high-value utilization of industrial lignin.

Scaffolding is less intrusive for damaged urethral tissue regeneration compared to tissue grafting. The study focuses on polyurethane-decellularized extracellular matrix (PU-dECM) scaffolds electrospun produced from varying PU-dECM concentrations and electrospinning voltages for the production of tunable biomimetic scaffolds as an alternative specialized urethral restoration method. Porcine urethra dECM was produced through immersion-sonication at 0.5% sodium dodecyl sulfate (SDS), followed by solubilization. PU and dECM were dissolved in 7:3 dimethyl sulfoxide: ethanol (DMSO:EtOH) solvent at ratios of 90:10, 85:15, and 80:20 for a total polymer concentration of 9.5%. Following this, electrospinning was conducted at 29-35 kV, 3.75 ml·h^{- 1} flowrate for 90 min. Viscosity decreased while conductivity increased with increasing dECM concentration. Increasing dECM concentration also decreased the Young's moduli, and the concentration-voltage interaction introduced a significant effect on the Young's moduli. The treatments of 80:20-29 kV, 90:10-29 kV, and 90:10-32 kV (PU:dECM ratioelectrospinning voltage) were predicted to have Young's moduli close to that of the human urethra at (0.034 ± 0.01) MPa and were selected as candidate fibers for characterization. Fibers with random orientation and diameters of 1.05-1.41, 1.34-1.51 and 1.30-1.45 μm respectively were produced. Coating of dECM is observed from FTIR spectra. For urethral scaffold applications, the 90:10@29 kV fibers reported the best hydrophilicity at 46.34°±24.07°.

Diesel engine exhaust contains nitrogen oxide (NO_x) and particulate matter (PM) particles, which cause significant pollution to the environment. Therefore, effective removal of NO_x and PM in diesel engine exhaust has become a current research hotspot. However, it is a challenging problem to study the simultaneous removal of NO_x and PM due to the trade-off effect between NO_x reduction and soot oxidation. Existing studies have shown that catalytic purification technology is one of the most effective technologies for the simultaneous removal of the above two pollutants. In this study, the Fe_xMn_{10- x}O_δ/3DOM Ti_0.7Si_0.3O₂ catalysts were prepared by the incipient wetness impregnation method using 3DOM Ti_0.7Si_0.3O₂ as the support, and the catalytic performance of the above catalysts was investigated. The experimental results showed that the prepared catalysts exhibited excellent catalytic activity. In particularly, Fe₃Mn₇O_δ/3DOM Ti_0.7Si_0.3O₂ showed the best simultaneous elimination performance, which could achieve efficient elimination of PM and NO in a low temperature range. The catalytic reduction of NO reached 80% in the temperature range of 137- 367℃, and the peak temperature of PM combustion was 440℃. The Fe₃Mn₇O_δ/3DOM Ti_0.7Si_0.3O₂ catalyst has an appropriate number of acid sites, sufficient reactive oxygen species and strong redox ability. Therefore, Fe_xMn_{10- x}O_δ/3DOM Ti_0.7Si_0.3O₂ catalyst is considered as a promising catalyst.

Designing efficient catalysts and solvent system for the multiphase hydrogenation reaction is vital in continuous flow reactors. Herein, we prepare hydrophilic Pd/Al₂O₃ and hydrophobic modified C₁₂PA-Pd/Al₂O₃ catalyst for nitrobenzene (NB) hydrogenation in micropacked bed reactors (μPBRs). By tuning the methanol-water volume ratio, reaction temperature, reaction pressure, liquid and gas superficial velocity, the NB conversion and aniline (AN) yield are optimized. The highest NB conversion of 97.1% and AN yield 95.6% are obtained in μPBRs with hydrophobic C₁₂PA-Pd/Al₂O₃ at the reaction temperature of 90℃. The apparent kinetic model is developed in μPBRs with two types of catalysts, and activity energies of NB hydrogenation for Pd/Al₂O₃ and C₁₂PA-Pd/Al₂O₃ are 7.944 kJ·mol^{- 1} and 3.372 kJ·mol^{- 1}, respectively. It indicates that the catalytic efficiency of C₁₂PA-Pd/Al₂O₃ is better than that of Pd/Al₂O₃ in the methanol-water mixed solvent in μPBRs. The value of TOF for the hydrophobic modified C₁₂PA-Pd/Al₂O₃ catalyst is twice compared with the hydrophilic Pd/Al₂O₃ catalyst. The value of STY for μPBRs is higher than that of stirred tank reactors (STRs) and fixed bed reactors (FBRs).

To address the challenges of poor stability and weak targeting capability in polymeric micelles, which negatively impact controlled drug release performance, pH-responsive polymers PCL-PDEAEMA-PHEMA-PPEGMA (P1, P2, and P3) with distinct block lengths were designed and synthesized in this work. These copolymers were rigorously characterized using ¹H NMR, FT-IR, and GPC. Subsequently, polymer P3 was selected for modification based on comparative analyses of critical micelle concentrations (CMC) and drug-loading performance. Polymer P3 underwent esterification with lipoic acid (LA) and folic acid (FA) to yield LA-P3 and FA-P3, respectively. These derivatives were blended at a mass ratio of 1:1 (LA-P3:FA-P3), and dithiothreitol was employed to initiate self-crosslinking, resulting in the preparation of actively targeted crosslinked mixed micelles (C-MIX). The results revealed that C-MIX@PTX drug-loaded micelles prepared at a feeding ratio of 15 mg PTX/30 mg polymer exhibited a smaller size (134.7 nm) compared to non-crosslinked micelles, with a drug-loading content of 15.31% ±1.79% and an encapsulation efficiency of 38.42% ±5.22%. In vitro release studies demonstrated that under neutral conditions, C-MIX@PTXachieved a cumulative drug release of 16.8% at 120 h, significantly lower than non-crosslinked micelles. Under acidic/reductive conditions, C-MIX@PTX showed a cumulative drug release of 77.1% at 120 h, slightly lower compared to non-crosslinked micelles. Cytotoxicity assays confirmed that both MIX and C-MIX were biocompatible low-toxicity carrier materials, whileLA-P3@PTX, FA-P3@PTX, MIX@PTX, and C-MIX@PTX exhibited inhibitory effects on HepG2 cells, FA-P3@PTX with folate-modified demonstrated enhanced efficacy.

Four poly-substituted 3-cyanopyridine derivatives (ACP-1-ACP-4) were prepared via a one-pot fourcomponents reaction involving different aromatic carbaldehydes, phenylethanone compounds, malonic dinitrile, and three different RONa were used. The pyridine derivatives were confirmed based on elemental & spectral results containingFTIR, ¹HNMR, ¹³CNMR, and MS spectroscopies. The synthesized pyridine compounds have shown good inhibitory performance against carbon steel corrosion in sulfuric acid solutions. Potentiodynamic polarization results designated that the poly-substituted 3cyanopyridine derivatives proceeded as mixed-category inhibitors. Electrochemical impedance spectroscopy (EIS) revealed that the ACP-1-ACP-4 compounds significantly reduced corrosion via a charge transfer mechanism, exhibiting inhibition efficiencies ranging from 94.1% to 97.2% at a concentration of 1.0 mmol·L^{- 1}. The calculated free energy of adsorption values, based on Langmuir adsorption isotherm plots, suggested that the ACP compounds adsorbed onto the steel interface via both chemisorption and physisorption, with chemisorption as the predominant mechanism. Scanning electron microscopy (SEM) and FTIR examinations confirmed the presence of a protective film formed on the steel interface. Similarly, a theoretical study using density functional theory (DFT) and Monte Carlo (MC) simulations corroborated experimental findings, concluding that polysubstituted 3-cyanopyridine derivatives exhibit remarkable corrosion protection efficiency for steel in acidic environments. Finally, the experimental findings support the theoretical predictions, demonstrating a good agreement.

Developing renewable green energy is one of key approaches to achieve dual carbon goals, which is supported by high-efficiency energy storage technologies. Aqueous Zn-I₂ batteries (AZIBs) are quite promising grid energy storage systems due to their intrinsic safety and low cost, but are plagued by polyiodide shuttling and sluggish conversion kinetics. To tackle the issues, a binder-free Bi₂O₃@N-CNTs aerogel electrode with hierarchical pore structure has been developed, featured by Bi₂O₃ nanoparticles embedded in the N-doped CNTs matrix. Removing of polymer binder not only reduces the inactive component in the electrode but also avoids covering active sites. Notably, polyiodide affinity and catalytic capability of novel Bi₂O₃ electrocatalyst can be enhanced significantly via the formation of Bi-N bonds, which has been demonstrated by the X-ray photoelectron spectroscopy and systematic electrochemical tests. The resultant AZIB demonstrates superior cycling stability, maintaining a capacity of 148.7 mA·h·g^{- 1} after 5000 cycles with a high capacity retention of 87.1%. Specially, the high-loading pouch cell can also deliver a stable capacity of 2mA·h over 40 cycles with an areal loading of 10 mg·cm^{- 2}, highlighting the practicality of the Bi₂O₃@N-CNTs aerogel electrode.

Sec-butanol (SBA) is an important industrial medium-polar solvent, mainly used as methyl ethyl ketone precursor and in coatings, fuels, fine chemicals. Transesterification is its dominant synthesis route for economical feedstocks and easy downstream separation. However, industrial homogeneous catalysts suffer from separation difficulties, equipment corrosion, and poor continuous operability, and heterogeneous catalysts often exhibit relatively low catalytic activity. To balance catalytic activity and industrial application, a heterogeneous catalyst was firstly prepared by anchoring choline-based ionic liquids on swellable Ps-Cl (optimized swelling enhanced active site accessibility). Then, choline-functionalized supported shaped catalyst (Ps-Ch[IM]) was obtained via quaternization of macroporous styrene-based polymers with N, N^′-dimethylethanolamine (DMEA) and ion exchange with imidazolide anion ([IM]-). Under reaction temperature of 60℃, alcohol-to-ester molar ratio 5:1, catalyst dosage 5% (mass) and reaction time 240 min, Ps-Ch[IM]achieved 26.60% sec-butyl acetate (SBAC) conversion, surpassing reported literature results. DFT calculation and in-situ DRIFTS confirmed that Ps-Ch[IM]activates methanol (MeOH) via [IM]-and SBAC via the OH group in DMEA; subsequently, CH₃O*attacks the C═O bond in SBAC and combines with CH₃CO*to form MA, while the proton combines with*OCH(CH₃)CH₂CH₃ to yield the target product SBA. Moreover, Ps-Ch[IM]shown stable performance in continuous fixed-bed reaction with the yield of 20.86% after 1800 min, indicates industrial application potential.

Methanol carbonylation is the primary method for producing acetic acid, but the formulation screening and process control for homogeneous iridium systems are hindered by limited and heterogeneous datasets. We compile literature and patent records and construct stratified models based on the presence of a ruthenium cocatalyst, integrating data augmentation with Bayesian model selection to achieve high-accuracy, interpretable predictors of formation rate. Multi-scale interpretation, (including rank correlations and SHAP analysis, reveals that the addition of ruthenium (Ru) alters rate control: the insitu water level emerges as the primary driver through its influence on acidity/iodide activity and methyl iodide (MeI) regeneration. Consequently, the marginal effectiveness of iridium (Ir) increases, whereas the independent impact of initial acetic acid (AcOH)/MeI is diminished due to the swift establishment of solvent and MeI pools. Guided by these findings, we define Ru-enabled operating windows for Ru-containing systems, prioritizing in-situ concentration management by keeping H₂O at a relatively low but non-zero level and maintaining MeOAc in a MeOAc-rich region where the SHAP curves begin to flatten, indicating diminishing returns. On this basis, fine-tune Ir loading and pressure in small increments to enhance per-Ir effective turnover without disturbing the established in-situbalance.

Green ammonia offers a viable hydrogen carrier due to its high energy density, established infrastructure, and cost-effectiveness. However, the decomposition process for hydrogen production relies on highly efficient catalysts. This study aims to overcome experimental limitations in catalyst design by developing a Bayesian optimization-based interpretable ensemble learning framework for multiobjective optimization of ammonia decomposition catalysts. A dataset covering the intrinsic properties of catalysts, preparation parameters, and reaction conditions for ammonia decomposition is constructed to develop six various ensemble learning models. The hyperparameters of these models are automatically and optimally configured using the Bayesian optimization-based Optuna method. The results demonstrate the effectiveness of this hyperparameter automatic optimization strategy, as the average R² across the six models improved by 0.086 compared to the pre-optimization values. In particular, the CatBoost model emerges as the optimal model with test R²＞0.9188. The Shapley additive explanations reveal the regulatory mechanism of performance by reaction conditions (with a contribution of 48.14%, where temperature and space velocity are dominant) and intrinsic characteristics of the catalyst (33.79%). The partial dependence plots analyses are further conducted to expound the effect of these key parameters on the catalytic performance. The optimal model is integrated with the reference vector guided evolutionary algorithm to minimize the total metal content while maximizing the space-time yield of hydrogen in ammonia decomposition catalysts. Three newly optimized catalysts demonstrate superior performance, offering an improved efficiency-cost balance compared to existing catalysts. External validation with unseen data further confirms the model's robustness, with prediction errors ＜5.06%.

Bio-based pentamethylene dicarbamate (PDC) serves as a crucial intermediate in the synthesis of biobased pentamethylene diisocyanate (PDI) via a non-phosgene route, and its carbonylation synthesis holds significant scientific and industrial importance. In this study, niobium-doped ceria (Nb_xCe) catalysts were designed and synthesized for the carbonylation reaction between pentanediamine (PDA) and methyl carbamate (MC). The catalytic performance of CeO₂ on the carbonylation of PDA was promoted by the surface modulation by Nb doping. Nb_0.06Ce achieved a space-time yield of PDC up to 32.4 g PDC·(g cat.)^-1·h^{- 1}, which was 1.4 times higher than that of CeO₂. The catalysts were characterized by XRD, BET, TEM, XPS, EPR, NH₃/CO₂-TPD, and Py-IR. Catalyst characterization results suggested that the superior catalytic performance of Nb_0.06Ce may be attributed to the synergistic combination of high oxygen vacancy concentration, abundant surface-adsorbed oxygen species, plentiful acid-base sites, and a large specific surface area. In-situ FTIR analysis confirmed that the alcoholysis of polyurea intermediates was a key step in the synthesis of PDC, and this process was notably accelerated in the presence of the catalyst. In-situ DRIFTS further indicated the Nb_0.06Ce facilitated the adsorption and activation of reactants. In the catalytic reaction, the polyurea intermediate was activated by the acidbase sites on the surface of Nb_xCe, generating the final product PDC. The Nb_0.06Ce catalyst demonstrated excellent stability, maintaining its catalytic activity after multiple reaction cycles. Furthermore, it was successfully applied to the efficient carbonylation synthesis of various aliphatic carbamates, highlighting its broad applicability.

It is crucial to develop efficient, highly durable platinum-based oxygen reduction reaction (ORR) catalysts to advance fuel cell development. In this study, a series of N-doped graphene-like carbon (NGC) materials was synthesized by pyrolyzing a mixture of glucose and graphitic carbon nitride (g-C₃N₄), with g-C₃N₄ acting as both a structural template and a nitrogen source. An NGC material containing approximately 6.9% N was obtained at a mass ratio of 4:1 for g-C₃N₄ to glucose and a pyrolysis temperature of 900℃. PtCo alloy nanoparticles were homogeneously anchored onto NGC via an impregnation-ethylene glycol reduction method. A core-shell structured catalyst consisting of a Pt shell surrounding a PtCo alloy core was subsequently fabricated by annealing the PtCo/NGC composite at 700℃. The resulting Pt@PtCo/NGC catalyst exhibits superior ORR activity, with mass activity 3.22 and 3.25 times higher than that of a commercial Pt/C catalyst under acidic and alkaline conditions, respectively. Furthermore, the ORR mechanism was systematically investigated through combined material characterization, electrochemical analysis, and DFT calculations, providing deeper insight into the electrocatalytic structure-activity relationship.

Liquid organic hydrogen carriers (LOHCs) enable long-distance hydrogen transport, and the continuous-flow dehydrogenation kinetic is crucial for the rational design of dehydrogenation system. This work investigates the dehydrogenation reaction pathway, apparent kinetic modeling and impact of products on fixed-bed dehydrogenation of LOHCs over Pt/Al₂O₃, using perhydro-benzyltoluene (H12-BT) as a model. Experiment results indicate that the initial dehydrogenation of H12-BT predominantly occurs on the mono-substituted side ring (82%), yielding the dehydrogenated intermediate (H6-BT (SR)). The developed kinetic model reveals a zero-order dependence on H12-BT partial pressure, whereas first-order dependence on H6-BT partial pressure. The activation energy of the first step is slightly higher than that of the second step. Critically, predicted concentration trajectories for all species closely track experimental data points throughout the reaction progress, with a mean relative error of 9.02%. This work elucidates reaction mechanisms and provides essential kinetics for the LOHCs system scale-up.

As a key technology for stabilizing renewable energy, hydrogen fuel cells (FC) play a crucial role in enhancing energy utilization efficiency and reducing carbon emissions in the power and chemical industries. Previous studies have examined FC mainly from technical or microgrid perspectives, hydrogen fuel cells (HFC) economic performance and stability contribution in electricity-hydrogen integrated energy systems (EH-IES) under uncertainty remain insufficiently explored. This paper proposes an optimization model for integrated energy systems (IES) with Solid oxide fuel cells (SOFC), aiming at minimizing total annual costs using mixed-integer linear programming (MILP). Based on real-world cases, the sensitivity analysis is carried out to evaluate the impacts of various factors on the economic viability of SOFC, while a robust optimization method is introduced to simulate the uncertainties in energy demand and renewable output. Results show that SOFC becomes economically competitive when the carbon price exceeds 187 CNY·t^{- 1} or when the fuel cell capital cost falls below 1676.64 CNY·kW^{- 1}. Moreover, SOFC economics improve with increasing electricity and hydrogen demand, while higher thermal and cooling demand reduces their cost-effectiveness. Integrating SOFC reduces total annual cost, cost of carbon emission, and curtailment rates by 0.2%, 7.8%, and 7.1%, respectively. Under high power-hydrogen demand uncertainty, SOFCs mitigate cost increases and enhance system stability. This study provides theoretical underpinnings for SOFC applications in low-carbon energy systems and serves as a reference for IES optimization design.

To investigate the redox performance and kinetic characteristics of iron-based oxygen carriers when mixed with iron-rich sludge ash during the sludge chemical looping gasification or combustion, the impregnation method was used to prepare Fe/Al composite oxygen carriers (Fe/Al-OC), and the iron-rich sludge ash (IRSA) was produced by high-moisture sludge burning in Muffle stove. The two types powder were then mixed in a 1:1 mass ratio to obtain another OC of Fe1Ash1. Using a thermogravimetric analyzer, the deep redox processes of the three oxygen carriers were carried out, and their reduction under variable temperature or constant temperature and oxidation processes were analyzed using 13 kinetic models to investigate their kinetic parameters. The results showed that the blending of Fe/Al-OC and IRSA exhibited a synergistic effect, in which the actual oxygen release and oxygen gain amount of Fe1Ash1 both exceed the theoretical values, indicating enhanced oxygen transport capacity. During the reduction process, under non-isothermal conditions, the oxygen release in Fe/Al-OC was controlled by two-dimensional diffusion, while the oxygen release in IRSA and Fe1Ash1 followed a first-order reaction model, with Fe1Ash1 having a slightly lower activation energy (34.81 kJ·mol^{- 1}) than the individual OCs. During isothermal reduction, the reaction of Fe/Al-OC transitions to contraction model control as temperature increases, IRSA maintains first-order reaction characteristics, while Fe1Ash1 reaction is more compatible with the F3/2 model, with synergistic effects weakening. During the oxidation process, Fe/Al-OC follows a first-order reaction model, while IRSA and Fe1Ash1 both follow two-dimensional diffusion models, but the activation energy of Fe1Ash1 (34.60 kJ·mol^{- 1}) is significantly lower than that of the other two, resulting in superior oxidation performance. Thus the Fe/Al OC might achieve complementary performance and kinetic characteristics in redox with more sludge ash blending. The highest ash blending proportion that can promote oxygen carrying capacity would be studied in next works.

The use of hydrogen as an energy carrier depends closely on its thermodynamic properties. In our previous work, a novel equation of state with quantum effects for square-well chain fluid with variable range (QSWCF-VR) has been presented and it was successfully used to represent the experimental phase equilibrium and pressure-volume-temperature (PVT) of quantum fluids such as helium, hydrogen, deuterium, etc. To validate the predictive accuracy of the QSWCF-VR model, we calculated various thermodynamic properties (phase diagrams, isochoric and isobaric heat capacities, Joule-Thomson coefficients, speed of sound, enthalpy of evaporation, and internal energies) for ortho-, para-, and normal hydrogen isomers over a broad range of temperatures and pressures. These predictions were based on transferable molecular parameters derived from experimental PVT data. Meanwhile, the comparisons of predicted results between the statistical associating fluid theory for Mie potentials of variable range corrected for quantum effects (SAFT-VRQ Mie) and this model were carried out. The results demonstrate that theQSWCF-VRmodel accurately predicts hydrogen's thermodynamic properties across a broad range of temperatures and pressures, with excellent agreement to published data.

In order to advance the development of biomass energy chemical field and to increase the utilization efficiency of lignin for valuable chemicals, this study explored the whole process from lignin extraction to depolymerization using pine wood flour as raw material for the production of aromatic monomers. The efficient extraction of lignin from pine wood flour was achieved in 1,4-butanediol solvent at 170℃, which then was converted to aromatic monomers successfully under the synergistic catalysis of Ni/MLG and NaOH. The usage of 1,4-butanediol extracting pine flour lignin enables to protect the guaiacyl (G) units and prevent the recombination of C―C bonds in the lignin fragments. And the synergistic effect of Ni/MLG and NaOH catalysts can efficiently hydrogenolyze not only lignin feedstock but also lignin oligomer fragments into aromatic monomers, enhancing the yield significantly. As a result, 97.5% lignin conversion and 36.9% yield of aromatic monomers are obtained at 280℃, with the carbon deposition rate below 6.7%, which is much superior to other Ni-based carbon catalysts and other alkaline catalysts. The major aromatic monomers include guaiacols, syringols, and p-hydroxyphenols, and they are promising for subsequent product purification and application as high value chemicals. This study not only proposes an effective way for the utilization of lignin, but also provides valuable reference for the development of biomass energy chemical field.

Propylene oxide (PO) is an important chemical intermediate that has experienced a continuous rise in annual demand. Traditional processes such as the chlorohydrin process and hydrogen peroxide-propylene oxide process (HPPO) are gradually being phased out due to environmental pollution, complex procedures, and economic inefficiencies. The discovery of the titanium silicalite-1 zeolite has markedly improved the activity and selectivity of the HPPO process, facilitating its industrial application. Nonetheless, the costs associated with the storage and transportation of H₂O₂, along with its safety risks during the process, continue to pose a limitation. This paper presents a comprehensive review of the current industrial status, risk analysis, and advancements in inherent safety research concerning the production of PO. The review systematically assesses the advantages and limitations of various production processes, focusing on safety, environmental impact, and lifecycle risk analysis. The gas-phase epoxidation of propylene and electrochemical epoxidation technology have become prominent research areas due to their mild reaction conditions, streamlined processes, and risk reduction at the source. These approaches provide new directions for inherently-safer PO production. Future efforts should prioritize addressing challenges in catalyst performance and process integration to propel the PO industry toward greater efficiency, safety, and sustainability.

A flameless method for the synthesis of nanoparticles at room temperature by coalescence of aerosolized droplets inducing a spontaneous chemical reaction between precursors is presented. The process is tested for the production of magnesium hydroxide nanoparticles at room temperature with an experimental setup based on pneumatic atomizers, condense collectors, mixers and a scrubber separator quenching the process of nanoparticle aggregation and collecting the final product in an aqueous dispersion recycled to the spray tower by a closed pressurized circuit. The solid phase is characterized for shape and composition by field emission scanning electron microscopy and for dimension by dynamic light scattering, with average diameters in a range of 29-62 nm. It is shown that the quality of the final product is affected by the volume of the reaction chamber and the concentration of the reagents in the aerosolized droplets. The process does not require the use of capping agents and/or surfactants aiming at damping particles aggregation and it allow obtaining an uncontaminated product whose composition makes it particularly attractive for specific applications where a high purity is needed, like biochemistry, pharmaceutics and theranostics. The mild operating conditions, the low energy demand and relatively low cost of the required equipment allow including this technique in the context of green, inherent safer and sustainable processes for nanoparticles synthesis.

This study investigates the impact of temperature on the fluidization behavior of a bench-scale deep fluidized bed using Group B silica sand particles as the material. Covering a temperature range of 200℃ to 800℃, the experiments employed a transparent cold flow rig for visualizing bed behavior and a bench-scale bubbling fluidized bed reactor for pressure drop measurements at elevated temperatures. Pressure differentials over the distributor plate and bed were measured at two different bed aspect ratios (3.33 and 4.83). Results show that increasing temperature from ambient to 800℃ led to a significant reduction in the minimum fluidization velocity (U_mf), by 27% for 200 g and 35% for 300 g bed materials. Bed aspect ratio had negligible effects on U_mf but notably influenced bed pressure drop. Experimentally determined Archimedes (Ar) and Reynolds (Re) numbers differed from empirical correlations, highlighting the need for further investigation into temperature effects on fluidization hydrodynamics. A new correlation for U_mf prediction, based on experimental data, exhibited a low average error of 7.4%. These findings, along with detailed material characteristics, offer insights for future research on temperature effects in narrow-deep bubbling fluidized beds, particularly at low Re. The experimental data serve as a benchmark for verifying, validating, and optimizing numerical models and scaling studies.

Honeycomb monoliths of zeolites (HMZs) exhibit low pressure drop and high mass transfer efficiency due to their designable through-channels and the uniform distribution of the active phase throughout the structure which HMZs are promising for gas adsorption and separation applications under high space velocities and abrasive environments. However, most zeolites cannot be directly extruded due to their lack of plasticity similar to clay. Therefore, the plasticity of zeolite pastes needs to be determined for optimizing the extrusion process with an optimal composition. Here in, a novel analytical method was developed to characterize the plastic behavior of zeolite pastes based on the stress-deformation curve. This curve was divided into elastic, yield, and plastic zones under defined conditions. Empirical equations were also established to predict the extrusion workability of ZSM-5 zeolite pastes by considering the effects of their composition and preparation processes. The plastic behavior of the ZSM-5 zeolite paste differed from those of ceramic and clay pastes (such as Al₂O₃ and SiO₂), particularly in the plastic zone. Using montmorillonite as an inorganic binder prevented the formation of shear-thickening branches within the elastic zone of the stress-deformation curves, contrary to those observed in the curves for kaolin and attapulgite. Methyl cellulose and hydroxypropyl methyl cellulose enhanced the plasticity of the paste, and the latter improved the yield stress more effectively. The ZSM-5 zeolite paste, with a liquid-solid ratio of 44.5, successfully met the plastic-zone conditions without the influence of deformation rates and exhibited optimized extrusion workability. In addition, vacuum refining considerably enhanced extrusion workability by reducing the air content and interparticle spacing in the ZSM-5 powder. The accuracy of the proposed method for predicting the extrusion behavior of HMZs was verified via extrusion experiments. The results yielded valuable insights into optimizing the extrusion workability of zeolite pastes.

Rotating packed beds (RPBs), as classic process intensification reactors, have been adopted for shipboard desulfurization to meet the stringent emission limits. However, conventional RPBs are unsuitable for open-loop seawater scrubbing because the required large liquid throughput necessitates an enlarged rotor diameter, leading to prohibitive power consumption and large footprint. To address this limitation, this work developed a high-gravity assisted atomization reactor (HAAR) with multi-phase intensification internals, in which a downsized rotor was used exclusively for liquid atomization while guide baffles and static wire meshes were integrated as internal structures to improve gas distribution and promote liquid secondary dispersion, respectively. The open- and closed-loop desulfurization performance and energy dissipation (E_D) of HAAR were systematically evaluated, clarifying the effect of multiphase intensification internals. Experiments under open-loop seawater and closed-loop sodium sulfite systems achieved desulfurization efficiencies of 76.2% to 93.8% and 92.5% to 98.2%, respectively, which meet the emission limits. Internal installation caused marginal increases in E_D, while significantly enhancing the desulfurization process. An artificial neural network (ANN) model was established to quantify parameter importance and evaluate operating strategies, forecasting within ±10% deviation from the experimental data. Compared with conventional reactors, HAAR achieved about 1 order of magnitude higher the overall gas-phase volumetric mass-transfer coefficient (K_Ga) than spray towers with slightly enlarged E_D and comparable values of K_Ga for conventional RPBs with 1-2 orders of magnitude lower E_D, demonstrating the potential for desulfurization applications in marine engineering. This work stimulated advances in marine exhaust gas purification and provided valuable guidance for internal-structure design and data-driven ANN analysis aimed at optimized performance and intelligent operation.

Absorption-based carbon dioxide (CO₂) capture is limited by high regeneration energy and low cyclic capacity. Blends of methyldiethanolamine (MDEA) and piperazine (PZ) are promising for high CO₂-content sources like biogas, outperforming conventional amines in both respects. However, their largescale CO₂ capture performance remains unexplored due to difficulties in obtaining reliable pilot-scale data. Here, we present, for the first time, pilot-scale data on MDEA/PZ blends through absorber experiments, validated via steady-state data reconciliation and compared with Aspen Plus simulations. MDEA/PZ blends were benchmarked under emulated biogas upgrading conditions in a 10 m high pilot absorber, processing feed gas with 38%-51% (vol) CO₂. Lean-to-gas flow, solvent temperature, and PZto-MDEA ratio were varied in the pilot campaigns. Data reconciliation validated the steady states within a 95% confidence interval, enhancing dataset reliability and model accuracy. Solvent requirements are reduced by 45% using the lean temperatures of 30℃ compared to 50℃. Doubling the PZ concentration further reduced the solvent requirement by 25%.

The escalating concentration of atmospheric CO₂ is a major driver of global climate change, necessitating efficient capture technologies. Metal-organic frameworks (MOFs) have emerged as promising adsorbents due to their structural tunability, high surface areas, and porosity. However, their industrial deployment remains constrained by moderate adsorption capacities, limited stability under realistic conditions, selectivity challenges, and high production costs. This review systematically examines rational design strategies for enhancing MOF performance in CO₂ capture, integrating recent advances in material synthesis, characterization, and computational modeling. We discuss the role of theoretical approaches, including density functional theory, molecular simulations, and machine learning, in predicting adsorption behavior and guiding experimental efforts. Key optimization techniques explored encompass pore engineering, surface functionalization, metal site regulation, defect control, and composite formation. Furthermore, we evaluate selective adsorption mechanisms in complex gas mixtures and assess commercialization pathways, highlighting the importance of economic viability and sustainable synthesis methods. Finally, we outline future research directions aimed at improving cyclic stability, scalability, and industrial applicability, providing a cross-scale perspective on translating laboratory innovations into practical CO₂ capture applications.

Accurate quantification of the molecular composition is essential for precisely modeling the petroleum refining process. Conventional molecular reconstruction methods, which primarily rely on bulk properties, fail to accurately predict molecular distributions due to the lack of incorporating molecular characterization information. This study presents a novel methodology for reconstructing the molecular composition of vacuum gas oil using high-resolution mass spectrometry (HRMS) data as a reference. A dual-objective optimization strategy was developed to simultaneously align bulk properties and composition similarities. The results demonstrate that integrating HRMS data significantly enhances the accuracy of molecular distribution prediction. The predicted distributions of double bond equivalents and carbon numbers for different classes of species are in good agreement with experimental observations. The method was also applied to various vacuum gas oils, and the robustness and reliability of this method are validated.