Search Results (96)

The development of drug delivery systems (DDSs) is moving from empirical, trial-and-error formulation toward data-driven, artificial intelligence (AI)-guided, and automated workflows. Microfluidics provides precise control of microscale fluids, enabling high-throughput production of relatively homogeneous drug carriers such as liposomes, lipid nanoparticles (LNPs), and polymeric micelles. However, the high-dimensional parameter space of microfluidic reactors often exceeds the capacity of manual optimization. This review examines the integration of AI, particularly machine learning (ML), deep learning (DL), and Bayesian optimization, into microfluidic platforms for accelerating DDS design, optimizing critical quality attributes (CQAs), and supporting self-driving laboratory workflows. We discuss the technical foundations of AI-enabled microfluidics, applications in nanocarrier synthesis and phenotypic screening, and the evolving regulatory landscape for AI-assisted pharmaceutical development. Full article

Additive manufacturing [AM; three-dimensional (3D) printing] is reshaping heterogeneous photocatalysis by enabling architected materials and devices that span from centimeter-scale monoliths to micro- and lab-on-chip reactors. Heterogeneous photocatalysts have traditionally been deployed as powders or simple coatings, which offer high activity but suffer from mass-transfer limitations, poor light utilization and difficult recovery. Three-dimensional (3D) printing now allows precise control over macroscopic geometry, internal channel networks and micro-/nano-scale surface texturing, creating structured photocatalysts and microreactors that can be tailored for specific photon and flow fields. In contrast to recent reviews that primarily survey materials development or additive-manufacturing routes, this work focuses on photocatalytic microreactors and lab-on-chip devices as multi-scale reactors in which catalyst composition, architected geometry, photon management and hydrodynamics are co-designed across length scales. We summarize three-dimensional 3D-printed photocatalytic systems based on polymer–oxide composites, ceramic scaffolds such as zinc oxide (ZnO)/titanium dioxide (TiO₂) clay monoliths, and laser-written titanium dioxide (TiO₂) nano-architectures, with particular emphasis on microfluidic and lab-on-chip implementations fabricated by fused deposition modeling (FDM), direct ink writing (DIW), stereolithography (SLA), digital light processing (DLP) and laser direct writing (LDW). Based on the literature data and representative case studies, we examine how architected lattices, sponges and microreactor chips affect key performance metrics—apparent rate constants, apparent quantum yield (AQY) and space–time yield (STY)—for the degradation of dyes, antibiotics, detergents and other emerging contaminants in realistic matrices, and we compile reported values to illustrate emerging performance trends and limitations. Representative case studies highlight 3D-printed manganese-doped zinc oxide (Mn:ZnO)-decorated sponges used as modular cartridges for greywater and detergent treatment, as well as laser-written titanium dioxide (TiO₂) nano-photocatalysts integrated into microchannels to couple structured light fields with controlled residence times. Finally, we outline materials and process challenges—including ultraviolet (UV) aging of polymer supports, the energy intensity of ceramic sintering and the lack of standardized testing protocols—and identify future research directions formulti-scalee modeling and techno-economic evaluation of three-dimensional (3D)-printed photocatalytic microreactors and devices. Full article

To achieve efficient removal and defluorination of perfluorooctanoic acid (PFOA), a visualized micro-scale fused quartz tube reactor (FQTR) was constructed to systematically investigate sub/supercritical water oxidation (SCWO) processes. Under operating conditions of 200–400 °C and 8–27.3 MPa, PFOA underwent rapid degradation with near-complete conversion. The incorporation of γ-MnO₂ markedly enhanced the PFOA degradation at low temperature and achieved faster fluorine removal. At the conditions of 300 °C, 40 min, O/C ratio (oxygen-to-carbon molar ratio) = 1.5, and pH = 7, the degradation and defluorination efficiencies increased by 12.56% and 15.21%, respectively, compared with the non-catalytic system. This enhancement is primarily attributed to the efficient activation of H₂O₂ by γ-MnO₂, which promotes the breaking of C–F bond and accelerates the converting of PFOA into CO₂ and fluoride ions. The SEM, Raman and leaching experiment results demonstrated that γ-MnO₂ exhibits excellent structural stability and reusability. Furthermore, density functional theory (DFT) calculations were performed to identify potential reactive sites and elucidate degradation pathways at the molecular level, providing mechanistic support for the experimental observations. Overall, the γ-MnO₂-catalyzed SCWO exhibits excellent degradation and defluorination performance for PFOA removal, providing useful insight into the treatment of fluorinated wastewater. Full article

This study evaluates the non-catalytic thermal pyrolysis of post-consumer polystyrene (PS) in a laboratory-scale batch fixed-bed reactor to recover aromatic-rich liquid products. The PS feedstock was characterized by thermogravimetric analysis (TGA) and micro-Raman spectroscopy to assess its thermal behavior and chemical homogeneity. In addition, the main TGA degradation region was analyzed using Coats–Redfern, Horowitz–Metzger, and Broido kinetic models, yielding apparent activation energies of 269.18, 288.83, and 280.69 kJ mol⁻¹, respectively. Pyrolysis experiments were performed at final temperatures of 400, 450, and 500 °C and heating rates of 10 and 20 °C min⁻¹ under continuous N₂ flow. The maximum liquid yield reached 95.2 wt% at 500 °C and 20 °C min⁻¹, while the estimated gaseous fraction decreased to approximately 2.0 wt%. ANOVA confirmed that final temperature was the dominant factor controlling liquid recovery, contributing approximately 83% of the model variability, whereas heating rate had a secondary but significant effect. GC–MS analysis showed that the pyrolysis oil was mainly composed of aromatic hydrocarbons, including styrene, toluene, and ethylbenzene, with increasing temperature promoting the redistribution of the liquid fraction toward lighter monoaromatic compounds. These results indicate that non-catalytic fixed-bed pyrolysis is a promising route for converting post-consumer PS into aromatic-rich liquid products. However, the recovered oil should be considered a complex mixture rather than a purified monomer stream, and further gas-phase characterization, downstream purification, energy-balance evaluation, life-cycle assessment, and techno-economic analysis are required before definitive claims regarding industrial circularity or environmental performance can be established. Full article

This study investigates the continuous-flow hydrolysis reaction of propylene oxide (PO) in a spiral microchannel reactor, integrating experiments, computational fluid dynamics (CFD) simulations, and response surface methodology (RSM). To the best of our knowledge, experimentally determined apparent Arrhenius parameters for PO hydrolysis under microscale continuous-flow conditions remain rarely reported, and afterwards they were incorporated into CFD-based numerical simulations. This combined experimental–numerical framework provides a robust methodology for quantifying and optimizing liquid-phase kinetics in microscale flow environments. Subsequently, CFD simulations were employed to examine key process parameters, including reaction system temperature, inlet flow rate, and reactor length. Finally, RSM was utilized to identify the optimal process conditions (reaction system temperature of 298.15 K, inlet flow rate of 6 × 10⁻³ m·s⁻¹, and reactor length of 4 m), achieving a predicted PO conversion rate of 81.68%. The study provides a reference for designing and optimizing spiral microchannel reactors for PO hydrolysis. Full article

Today, microfluidics has become a revolutionary field of engineering due to its wide range of applications, including lab-on-a-chip devices, microscale biochemical reactors, drug delivery systems, and disease diagnostics. Efficient fluid mixing has been a significant challenge in these systems due to the dominance of laminar flow and low-Reynolds number conditions, where mixing relies primarily on slow molecular diffusion. It is very difficult to achieve rapid mixing and homogeneous mixing within a limited length. In this study, a bioinspired passive micromixer is developed based on the cristae architecture of mitochondria, which is known for maximizing surface area and transport efficiency in biological systems. The micromixer incorporates cristae-like microstructures within a straight microchannel to produce continuous flow deflection, stretching, and folding, thereby promoting chaotic advection without relying on external energy sources. It also includes mitochondrial granules, such as micropillars, within the channel to disrupt streamline flow. Thus, a numerical investigation was conducted to design four different micromixer geometries: conventional T-channel, and T-channels with a single, double and triple matrix of cristae. The analysis was performed in COMSOL Multiphysics, in which “Laminar flow” and “Transport of diluted species” physics were used, and a stationary study was executed. Simulations were conducted at different Reynolds numbers (Re = 0.1–100) to observe the feasibility of the proposed designs. For analysis, the mixing index and concentration profiles at the outlet and along the length were also examined. The results showed that the high cristae density channel performed well, achieving a mixing index of 95.85% at Re = 0.1 and 85.84% at Re = 100, proving that the proposed mitochondria-inspired cristae Mito-mixer delivers efficient mixing over a broad Reynolds-number range while maintaining a compact, length-efficient design. Full article

Hydrogen energy is pivotal to the global energy transition, and the development of high-efficiency, safe hydrogen storage technologies constitutes a prerequisite for its large-scale commercialization. Kinetic bottlenecks including slow reactions, delayed front propagation, and marked spatial heterogeneity driven by strong thermal–mass transfer coupling restrict the engineering application of solid-state metal hydrides. However, the current research mainly focusing on overall performance lacks a systematic understanding of the spatiotemporal evolution mechanisms and their intrinsic links to internal structural control. In this work, a 3D multiphysics model of a LaNi₅-based reactor is developed to systematically elucidate spatiotemporal evolution patterns, facilitating the proposal of a structural decoupling framework based on synergistic thermal–mass resistance reconfiguration. Both absorption and desorption show distinct three-stage evolution, shifting from kinetic dominance to transfer limitation: absorption causes core self-inhibition via heat-hydrogen supply mismatch, leading to much lower core than surface storage capacity; desorption results in significant inner-layer lag due to endothermic cooling-driven pressure drops. Thermal–mass coupling-induced inverted spatiotemporal evolution is identified as the root cause of spatial heterogeneity. Quantitative comparison of straight-pipe, spiral-tube, and honeycomb structures reveals that internal architectures achieve effective thermal–mass decoupling through expanded heat-exchange areas, reconstructed diffusion pathways, and optimized heat source distribution. Notably, the honeycomb structure with a parallel micro-unit network achieves 89.1% and 86.6% reductions in absorption and desorption times, respectively, showing superior dynamic performance and field uniformity. This study provides a theoretical basis for the mechanism-driven design and synergistic performance optimization of high-efficiency solid-state hydrogen storage reactors. Full article

The transition toward carbon-neutral energy systems has revived interest in nuclear technologies, particularly small and micro modular reactors (SMRs and MMRs) as flexible, safe and efficient alternatives to conventional large-scale power plans. In the Czech Republic, Centrum výzkumu Řez (CVŘ) is developing Energy Well (EW), a molten salt-cooled micro modular reactor concept employing FLiBe (Fluoride Lithium Beryllium) as primary and secondary coolant and a supercritical CO₂ (sCO₂) tertiary loop. A dedicated experimental facility was built to reproduce EW operating conditions and provide critical data on thermohydraulic behavior, fuel properties and heat-transfer mechanisms. This paper presents the development and assessment of a TRACE (TRAC/RELAP Advanced Computational Engine) model of the experimental facility, including specific methodologies for the main heater and the heat exchanger. Model accuracy was assessed through comparison with experimental commissioning data. The simulations demonstrated overall model consistency, especially regarding the heat exchanger and the main heater general performances, while some discrepancies were observed inside the main heater graphitic core. Other discrepancies were observed along the loop, mainly resulting from modeling simplifications and lack of information regarding certain experimental loop phenomena. In particular, the pressure calculation showed large inconsistencies mainly connected to the complexity of pressure measurements in molten salt circuits and the lack of specific head loss correlations. This study also helped identify broader issues in both the code (persistent error in generating CO₂ property tables and instabilities resulting from FLiBe interactions with non-condensable gases) and the experimental loop (defect in the heat exchanger filling and uncertainties on sensors location), also contributing to resolving sensor-related inconsistencies in the facility. Results confirm TRACE as a reliable tool for modeling molten salt systems, regarding the temperature distribution and the heat transfer. However, depending on the specific experimental case, this paper introduces specific limitations, such as some inconsistencies in the pressure drops distribution, in order to support the future development of TRACE code. Beyond technical advances, this work provides unique experimental data and fosters international collaboration in advancing SMR and molten salt reactor technologies. Full article

Constrained by the low grade and poor floatability of the run-of-mine ore, the beneficiation of porphyry-type copper–molybdenum sulfide ores generates large quantities of molybdenum tailings, leading to significant environmental risks and resource losses and necessitating urgent recovery and reutilization. In this study, a representative sample of molybdenum tailings with a Mo grade of 0.354% was investigated to analyze its process mineralogy. The results show that molybdenite predominantly exists as fine, flaky particles intimately intergrown with quartz, pyrite, and aluminosilicate minerals, exhibiting an extremely low degree of liberation and an overall ultrafine particle size. Laboratory flotation tests show that the flotation kinetics conform to a first-order model; however, a considerable amount of molybdenum remains in the tailings, indicating that the mineralization process needs to be intensified. Through structural optimization and confined-space design, a vortex-based mineralization reactor was developed. Computational fluid dynamics simulations demonstrate that the mineralizer can generate flow fields with high turbulence intensity and dissipation rates and can induce high-energy, small-scale micro-vortices. On this basis, a semi-industrial rougher flotation system was established by coupling the developed mineralizer with a flotation column. Under optimized operating conditions, namely a feed pressure of 0.06 MPa and an impeller frequency of 20 Hz, single-stage treatment of the tailings produced molybdenum concentrates with a grade of 1.90% and a recovery of 81.29%, while the Mo grade of the tailings was reduced to 0.08%. The results are markedly superior to those obtained using a conventional laboratory flotation cell, demonstrating a substantial enhancement in mineralization efficiency and molybdenum recovery. The proposed approach, therefore, provides a practical reference for the flotation recovery of molybdenum tailings as well as other micro-fine, low-grade metal tailings. Full article

Porous photocatalysts from agricultural waste, i.e., apricot and peach shell, with titanium dioxide were prepared by a carbonaceous method, the adsorption and photocatalytic degradation and its kinetics about methylene blue (MB) were studied systematically. The properties of the prepared composite sorbents were characterized using Brunauer–Emmett–Teller, surface area, scanning electron microscopy, and energy dispersive spectroscopy analyses. Several key factors, including radiation, pH, temperature, initial MB concentration, contact time, and sorbent dosage, as well as photocatalytic activity were investigated. All the waste-TiO₂ adsorbents showed improved adsorption and photodegradation performance compared to commercial charchoal-TiO₂. The produced materials presented high specific surface areas especially those derived from apricot shell-TiO₂ with a combination of type I and IV adsorption isotherms with a hysteresis loop indicating micro and mesopore structures. In addition, under UV radiation, the composite sorbents exhibited greater MB removal efficiency than non-radiated composite sorbents. The examined conditions have shown the best MB adsorption results at pH greater than 7.5, temperature 30 °C, contact time 120 min, initial concentration 0.5 mg/L MB, and sorbent dosage equal to 2.0 g/L C/MB. The total removal rate of MB is 98.5%, while the respective amount of commercial charcoal-TiO₂ is equal to 75.0%. The kinetic model that best describes the experimental data of MB degradation from the photocatalytic materials is the pseudo-second order model. In summary, this work highlights the effectiveness and feasibility of transforming agricultural waste into carbonaceous composite sorbent for the removal of cationic dyes from wastewater. Future work will involve scaling up the synthesis of the catalyst and evaluating its performance using bed reactors for industrial processes. Full article

The present work aims to synthesize polyamide 1212 (PA 1212) via direct solid-state polymerization (DSSP), starting from its solid salt precursor. The DSSP of aliphatic polyamide salts has been found to proceed through melt intermediates, in harmony with the well-documented solid-melt transition (SMT) mechanism. However, PA 1212 salt is anticipated to deviate from this model due to its strongly hydrophobic nature. The reaction was initially investigated at the microscale in a thermo-gravimetric analysis (TGA) chamber and then scaled up to the laboratory scale. The influence of reactor design, reaction temperature, and residence time was examined. DSSP products were characterized in terms of molecular size and morphological properties. At the same time, a novel protocol was developed for qualitatively monitoring the progress of polymerization via Fourier Transform Infrared Spectroscopy-Attenuated Total Refraction (FTIR-ATR) analysis. Emphasis was given on the resulting morphology examined via Scanning Electron Microscopy (SEM imaging). Although DSSP has been found to proceed through a quasi-SMT, significant differences are observed compared to the classical mechanism established in the literature. This paper reveals that the limited surface softening or agglomeration phenomena encountered are mostly associated with the hydrophobic structure of the PA 1212 salt. Full article

Utilizing microfluidic models, this review synthesizes experimental and simulation insights into the pore-scale behavior of hydrates during formation and decomposition in porous media. It outlines the fundamental characteristics of CO₂ hydrates and their significance in porous media, with a focus on major advancements in hydrate nucleation, growth, distribution, and decomposition kinetics. This study details various porous media systems, visualization experimental setups, and observation techniques employed in experimental research. Key factors, including temperature, pressure, salinity, and pore characteristics, are analyzed to determine their influence on hydrate formation (nucleation, growth kinetics, and phase equilibrium) and decomposition (dissociation kinetics and efficiency) behaviors. In terms of numerical simulation, we distinguishes multiscale numerical simulation methods for the molecular scale, the pore scale, and then the reactor scale, including molecular dynamics simulation, the phase field model, the pore network model, and the macroscopic kinetics model, and discusses the role of simulation in revealing the micro-mechanisms and predicting macroscopic behaviors. This article also summarizes the application of relevant numerical simulation methods (such as MD, CFD, and LBM) in revealing the micro-mechanism of hydrates. Therefore, this review offers critical insights into the micro-mechanisms of carbon dioxide hydrate behavior in porous media, thereby undergirding the theoretical basis for optimizing related engineering designs. Full article

Natural convection in enclosures heated from both sides is a topic of interest in various space and safety applications in nuclear power reactors. The transient dynamics during natural convection in enclosures is critically dependent on micro-scaled boundary layers and also the timescales of micromixing. In the present work, a square enclosure operating at two high Rayleigh numbers (Ra = 3.27 × 10¹⁰ and Ra = 6.55 × 10¹⁰, with water as the working fluid) have been chosen for study. First, the velocity and timescales were found using Computational Fluid Dynamic (CFD) simulations for the square enclosure with Ra 3.27 × 10¹⁰ and compared with scaling laws that presently define them. An empirical correlation for heat transfer is then developed for the Ra range (1.3 × 10¹⁰ < Ra < 6.55 × 10¹⁰). Then, an existing DL framework (Proper Orthogonal Decomposition and Long Short-Term Memory (POD-LSTM)) network) is compared qualitatively and quantitatively with the CFD data. The transient data Ra = 6.55 × 10¹⁰ was chosen for this purpose. The scaling laws show a 30% deviation for the predictions of the transient length and time scales as compared to CFD and DL model predictions. Further, accurate results up to 99.6% have been obtained by the DL model when compared with the CFD model. The DL model is also found to require an order of magnitude less time than the one required for a CFD simulation. Full article

Late-Archean seawater functioned as a vast, redox-tuned colloidal system for which its kinetics were largely governed by the surface chemistry of silica–iron nanoparticles. By reproducing Archean seawater (≈0.7 M ionic strength, 25 °C) in laboratory anoxic-to-mildly oxic reactors, the ζ potential (zeta-potential(ζ)) of silica–iron nanoparticles was investigated, and we tracked how transient O₂ pulses (≤9 mg L⁻¹) regulated it. The zeta (ζ) potential was applied as the key diagnostic parameter to quantify both the sign of the ζ potential and the colloidal stability of simulated silica–iron particles in dispersion. Under strictly anoxic conditions, silica colloids (SiO₂(aq)) exhibit a persistently negative ζ potential (ζ ≈ −25 mV) in the simulated seawater (pH 6.5), arising from deprotonated silanol groups (≡Si–O⁻). Upon the addition of Fe²⁺, the inner-sphere complexation of ferrous ions on SiO₂ colloids partially replaces ≡Si–O⁻ with ≡Si–O–Fe⁺/≡Si–O–Fe–OH sites; the net negative charge density at the outer Stern plane nevertheless increases, and the ζ potential shifts from −25 mV to −30 mV. As the simulated seawater was oxygenated, the dissolved and surface-bound Fe²⁺ ions were oxidized to Fe³⁺, causing the ζ potential to exceed −30 mV. This study demonstrates that Fe²⁺–silica interactions generate electrostatic destabilization, suspending micron-scale aggregates and thus modulating the solubility and speciation of SiO₂ in early oceans. Also, transient micro-oxic pulses are shown to shift silica–iron colloids between metastable aggregation and dispersion by modulating their ζ potential. Subsequently, AFM and TEM were used to characterize the morphological changes in the colloidal particles from the liquid state to the dry state. Furthermore, infrared and XPS analyses were conducted on the colloidal samples. These findings provide certain reference significance for reconstructing the chemical evolution process of seawater in the Late-Archean period and for understanding the factors influencing the silicon–iron cycle of seawater in the Late-Archean era. Full article

This study investigates the effects of Ar ion irradiation on the mechanical properties and microstructure of SA508 Grade 3 Class 1 and Class 2 reactor pressure vessel steels. Three different fluence levels of Ar ion irradiation were applied to simulate accelerated irradiation damage conditions. Charpy impact and tensile tests conducted before and after irradiation showed no significant changes in bulk mechanical properties. Stopping and Range of Ions in Matter (SRIM) and Transport of Ions in Matter (TRIM) simulations revealed that Ar ion irradiation produces a shallow penetration depth of approximately 2.5 µm, highlighting the limitations of conventional macro-mechanical testing for evaluating irradiation effects in such a thin surface layer. To overcome this limitation, nano-indentation tests were performed, revealing a clear increase in indentation hardness after irradiation. Transmission electron microscopy (TEM) analysis using STEM–BF imaging confirmed a higher density of irradiation-induced defects in the irradiated specimens. The findings demonstrate that while macro-mechanical properties remain largely unaffected, micro-scale testing methods such as nano-indentation are essential for assessing irradiation-induced hardening in shallowly damaged layers, providing insight into the behavior of SA508 reactor pressure vessel steels under accelerated irradiation conditions. Full article