Distribution Of Particles Research Articles

Fast and Accurate Recognition of Perovskite Fluorescent Anti-counterfeiting Labels Based on Lightweight Convolutional Neural Networks.

Anti-counterfeiting technology has always been a key issue in the field of information security. Physical Unclonable Function (PUF) labels, which are random patterns produced by a stochastic process, emerge as an effective anti-counterfeiting strategy due to the inherent randomness of their physical patterns. In this study, we developed a high-throughput droplet array generation technique based on surface tension confinement to prepare perovskite crystal films with controllable shapes and sizes. We utilized the random distribution of perovskite nanocrystal particles to construct the PUF textures of the labels. Compared to other anti-counterfeiting labels, our labels not only possess fluorescent properties but also feature microscale dimensions (less than 5.3 × 10-2mm2), low cost (less than 3 × 10-4 USD), and high encoding capacity (1.7 × 101956), providing support for multilevel anti-counterfeiting protection. Additionally, we introduce an innovative PUF recognition method based on a Partial Convolutional Network (PaCoNet), effectively addressing the limitations of previous methods, in terms of recognition accuracy and speed. Experimental validation on a data set of perovskite nanocrystal films with up to 60 different macroscopic shapes and unique microscopic textures demonstrates that our method achieves a recognition accuracy of up to 99.65% and significantly reduces the recognition time per image to just 0.177 s, highlighting the potential application of these labels in the field of anti-counterfeiting.

Laser-based directed energy deposition and characterisation of cBN-reinforced NiAl-based coatings

Within this study, the alloy NiAl–2.5Ta–7.5Cr is investigated as a new matrix material for cBN-reinforced abrasive turbine blade tip coatings as currently used NiCoCrAlY matrix alloys suffer from insufficient strength at the high operating temperatures. Laser-based directed energy deposition with blown powder was applied to produce cBN reinforced NiAl-based coatings on monocrystalline CMSX-4 substrates. For this, powdery titanium-coated cBN and NiAl–2.5Ta–7.5Cr material were co-injected into the process zone to achieve an in situ formation of a NiAl–2.5Ta–7.5Cr/cBN composite. In order to overcome challenges such as cracking susceptibility, inductive preheating of the substrate up to 800 °C was used. Optical and scanning electron microscopy, energy dispersive X-ray spectroscopy, as well as electron backscatter diffraction were applied to analyse the fabricated samples’ microstructure. Additionally, the mechanical properties were evaluated by means of microhardness mappings. This work demonstrates the feasibility of in situ forming a metal matrix composite with a homogeneous distribution of cBN particles. The results show the beneficial effect of high-temperature preheating on the crack formation. However, the study also reveals challenges such as cracking induced by the injected cBN particles as well as severe intermixing of substrate and coating, which yields spatially resolved deviations in the chemical composition and resulting variations in microstructure and hardness.Graphical abstract

Synthesis of nano-diamond film on GaN surface with low thermal boundary resistance and high thermal conductivity

Joule self-heating is the main obstacle limiting the performance of GaN power devices. A nano-diamond (NCD) film for near-junction heat transfer has been approved as an effective approach to overcome this issue. In the present study, we developed a scheme to deposit a smooth NCD film with high thermal conductivity (TC) over the surface of GaN. First, a 10-nm Si3N4 was deposited as the protective layer of GaN, followed by electrostatic seeding to improve nucleation density and particle distribution uniformity. Second, argon and gradient methane gas were introduced to prepare the NCD film based on nucleation and the growth period. The resulting thickness of the NCD film was 150 nm with a roughness of about 20 nm. The thermal boundary resistance (TBReff) between GaN and NCD film was only 12.8 ± 0.64 m2K/GW, whereas the TC of the NCD film was 200 ± 40 W m−1 K−1, which was similar to the theoretical prediction. Thus, it could be inferred that the high crystallinity of the NCD film contributes to the low TBReff and high TC through the whole NCD layer.

SYNTHESIS AND CHARACTERIZATION OF MAGNETITE NANOMATERIALS IN TIANYAR IRON SAND USING CO-PRECIPITATION METHOD

In the current era of scientific and technological progress, nanomaterials have emerged as a deeply fascinating and significant field of research. This paper presents a case study on the synthesis and characterization of Fe₃O₄ nanomaterials derived from the iron sand of the Tianyar, utilizing the co-precipitation method with modifications made to the pH values during synthesis. The research encompasses three primary stages: extraction of iron sand, synthesis of Fe3O4 nanomaterials, and subsequent characterization of these nanomaterials. The iron sand extraction phase involved passing it through a permanent magnet ten times to remove impurities. Subsequent synthesis produced a dark black magnetite nanomaterial powder displaying magnetic properties, rendering it responsive to magnet attraction. Analysis of these nanomaterials using X-ray diffraction (XRD) unveiled discernible peaks in the diffraction pattern, suggesting that the magnetite nanomaterials possess a cubic crystal structure. The size of the Fe3O4 nanomaterials decreases as the pH of precipitation increases, with respective sizes of approximately 18.00 nm for pH 9, 14.69 nm for pH 10, and around 13.68 nm for pH 11, as determined using Scherrer’s formula. The lattice parameters observed for samples synthesized at pH 9, 10, and 11 are sequentially measured as a = 8.59 Å, 8.81 Å, and 8.80 Å. Analysis using SEM-EDS revealed that the sample morphology appears rough, with evidence of particle agglomeration leading to uneven particle distribution. There are additional trace elements present, including C, Al, S, Ti, and Cl, albeit in smaller quantities. Nevertheless, the primary elements crucial for forming Fe3O4 nanomaterials, namely Fe and O, exhibit the highest percentages in composition analysis.

Effect of secondary flow and wall collisions on particle-laden flows in 90° pipe bends

Fully developed, statistically stationary particle-laden turbulent flows in a 90° pipe bend at a moderate Reynolds number are studied using direct numerical simulation coupled to a Lagrangian particle tracking technique. Three populations of particles are studied which are two-way coupled with the carrier phase. The focus is the investigation of the effect of strong curvature on particle transport dynamics across a range of particle inertias. A validation of the carrier phase predictions is performed, with good agreement found with available experimental data. It is demonstrated that the presence of particles notably affects the turbulence statistics of the carrier phase, decreasing the mean fluid velocity in the outer bend while slightly increasing it in the inner bend. Two intriguing phenomena emerge: the presence of a particle void near the inner bend and reflection layers near the outer bend. Centrifugal forces are responsible for driving particles to the outer wall, with some rebounding back into the main body of the flow, and others, influenced by the secondary flow in the plane of the pipe cross-section, converging towards the inner wall before re-entering the central pipe region. These effects dictate the size and shape of the particle void region and the formation of reflection layers due to particle-wall collisions. These two phenomena have a significant influence on the particle distribution in the pipe bend, as well as on the first- and second-order moments of the velocity and acceleration of the particulate phase. Finally, a heat map of particle-wall collision statistics indicates that the effect of the secondary flow on particle distribution and particle-wall collisions is not negligible.

Visualization of Inhomogeneous Strain and Particle Distribution in a Shape Memory Alloy via Composite Reconstruction of 3DXRD Data

Visualization of Inhomogeneous Strain and Particle Distribution in a Shape Memory Alloy via Composite Reconstruction of 3DXRD Data

Structural reactions, green chemistry solvents, topology surface, electronic and biological studies of 4-(dihydroxymethyl) pyridine-2-carbonitrile – Anti-tuberculosis activity

Spectroscopic properties of 4-(dihydroxymethyl) pyridine-2-carbonitrile have been theoretically scrutinized using DFT technique utilizing B3LYP approach along with 6–311G++(d,p) basis set. Electronic-stability, electronic transitions, and distribution of charge within the molecule were analyzed using FMO and NBO analyses, which involve π*(C13–C14) to π*(C10–C15) transition, with a maximum stabilization energy of 212.33 kcal/mol, which ascertain the molecule's stability. Vibrational assignments for FT-IR and FT-Raman spectrum have been conducted using PED for identifying functional groups. Topological analyses such as ELF, LOL, and RDG provided a comprehensive understanding of the distribution of charged particles across each element within molecule, enabling the identification of electrophilic and nucleophilic sites. DMPC adheres to Lipinski's rule of five, indicating suitability for oral administration similar to other drugs. Investigations using molecular docking were performed to analyze the biological asset of the compound. Protein 6UCR demonstrated superior binding potency with a minimum binding-energy reaching −8.5 kcal/mol, revealing its potential treatment for tuberculosis.

Copper-based nanoparticles supported on functionalized kaolinite for catalytic reduction of nitroaromatic compounds

A catalyst was synthesized by in situ reduction of Cu(II) ions on kaolinite particles. The clay mineral was modified by grafting propane sultone, to promote the stability of the catalyst and the good distribution of metal particles. Physicochemical characterizations revealed that the abundant synthesized metallic particles (mainly copper(I) oxide (Cu2O) although metallic copper particles were also present)) were of nanometric sizes. The catalyst was successfully applied for the catalytic reduction of three nitroaromatic compounds (4-nitrphenol, 4-chloronitroaniline, and 4-nitrocatechol). The variation of some experimental parameters was performed and marked effects on reaction rates were observed (increase with the catalyst concentration and decrease with the concentration of nitroaromatic compounds). An attempt to elucidate the mechanism of the catalytic reaction revealed that the adsorption of dihydrogen on the metal particles controlled the reaction rate while the adsorption of the nitroaromatic compounds controlled the induction time preceding the reduction reaction.

Additive manufacturing of bioactive and biodegradable poly (lactic acid)-tricalcium phosphate scaffolds modified with zinc oxide for guided bone tissue repair

Bioactive and biodegradable scaffolds that mimic the natural extracellular matrix of bone serve as temporary structures to guide new bone tissue growth. In this study, 3D-printed scaffolds composed of poly (lactic acid) (PLA)-tricalcium phosphate (TCP) (90-10 wt.%) were modified with 1%, 5%, and 10 wt.% of ZnO to enhance bone tissue regeneration. A commercial chain extender named Joncryl was incorporated alongside ZnO to ensure the printability of the composites. Filaments were manufactured using a twin-screw extruder and subsequently used to print 3D scaffolds via fused filament fabrication (FFF). The scaffolds exhibited a homogeneous distribution of ZnO and TCP particles, a reproducible structure with 300 μm pores, and mechanical properties suitable for bone tissue engineering, with an elastic modulus around 100 MPa. The addition of ZnO resulted in enhanced surface roughness on the scaffolds, particularly for ZnO microparticles, achieving values up to 241 nm. This rougher topography was responsible for enhancing protein adsorption on the scaffolds, with an increase of up to 85% compared to the PLA-TCP matrix. Biological analyses demonstrated that the presence of ZnO promotes mesenchymal stem cell (MSC) proliferation and differentiation into osteoblasts. Alkaline phosphatase (ALP) activity, an important indicator of early osteogenic differentiation, increased up to 29%. The PLA-TCP composite containing 5% ZnO microparticles exhibited an optimized degradation rate and enhanced bioactivity, indicating its promising potential for bone repair applications.

Experimental study on single value fluctuation of impact work in 700 MPa low-alloy tempering plate

The single value fluctuation of impact work occurs frequently in high strength steel, especially for medium or super thick plates. With respect to the single value fluctuation of impact work in 700 MPa low alloy thin tempered plate, the present study carried out a comprehensive and comparative analysis through metallographic microstructure, second-phase precipitated particle and inclusion distribution. The results show that the microstructure type, grain boundary ratio of HAGBs/LAGBs, grain size and orientation of the specimens with 37 J and 7 J impact work are basically the same. The two specimens show excellent process-microstructure consistency, which fully indicate that the temperature fields of the two specimens are consistent. Since the temperature field is basically the same, the (Ti, Nb, Mo)C compound precipitated particles in the two specimens maintain a good Baker-Nutting relationship with the matrix, and the interface between the precipitated particles and the matrix maintain a stable coherent/semi-coherent relationship. The main reason for the decrease of impact work of tempered plate is related to the distribution of inclusions. There are more spherical and square large size inclusion particles and microcracks in the specimen with lower impact work. Among them, the large square inclusion particles dominate mostly. And with the increase of the plastic deformation degree of the metal matrix, the large square inclusion has an obvious evolution by separation from the matrix to forming microcracks, and then to fracture.

Spatially-resolved in-situ/operando structural study of screen-printed BaTiO3/P(VDF-TrFE) flexible piezoelectric device

The incorporation of lead-free BaTiO3 particles into P(VDF-TrFE) provides a versatile way for tuning dielectric and piezoelectric properties. Screen-printing enables the easy production of flexible capacitors. To prevent particle aggregation, the BaTiO3 particles are functionalized with a surfactant. Initially, 60 % vol. BaTiO3 particles are deposited in the second layer out of three layers. After annealing and cooling, the particle distribution is successfully homogeneous in the whole film. After poling at 80 °C, the relative permittivity and the piezoelectric coefficient d33 significantly increase up to 159 and 8 pC/N respectively. In situ/operando spatially-resolved X-ray techniques allow exploring the structural evolution of the composite device during annealing and during an applied electric field. The application of an electric field leads to the quasi-disappearance of the P(VDF-TrFE) ferroelectric state. As a matter of fact, the interactions between the P(VDF-TrFE) and the surfactant may limit the rotation of P(VDF-TrFE) chains near the particles. Hence, paraelectric polymers could be chosen on a mechanical or economic basis for the matrix in piezoelectric composite devices. Regarding BaTiO3, the lattice strain evolves from an extrinsic strain at RT to an intrinsic strain after annealing and cooling. At the cooled state, the tetragonality c/a is higher than 1.01, leading to improved piezoelectric properties. The increase of the average domain size leads to the increase of the composite permittivity. Finally this knowledge facilitates the development of tailored flexible piezoelectric composite devices.

Reactively Processed Poly(butylene adipate terephthalate) Composite–Based Multilayered Films with Improved Properties for Sustainable Packaging Applications: Structural Characterization and Biodegradation Mechanism

AbstractIn this study, it is attempted to enhance the properties and biodegradability of poly(butylene adipate terephthalate) (PBAT) using nanocomposite technology to meet the demand for sustainable packaging applications. Two nanoclays containing PBAT composites are reactively processed and integrated into the multilayered films. Reactive processing facilitates the dispersion and distribution of nanoclay particles in the PBAT matrix. The multilayered films comprising reactively processed PBAT composites exhibited a 24.5%–31.5% reduction in the oxygen transmission rate and improved dimensional stability and tensile properties. Moreover, the degradability of the multilayered film comprising reactively processed PBAT composites reached 82% in 180 days. In contrast, a neat PBAT film of similar thickness attained only 53% degradation in the same period. The biodegradation mechanism is proposed based on the topology of the disintegrated films studied using scanning electron microscopy, chemical bond vibrations determined by Fourier‐transform infrared spectroscopy, and structural evolution by small‐ and wide‐angle X‐ray scattering (SWAXS). The SWAXS analysis is used to understand the changes in the degree of crystallinity, long‐range periodic order, and crystalline and amorphous layer thickness of the multilayered films before and after degradation. Such multilayered films can find applications where packaging or biomedical devices cannot be recycled.

Effect of SiC content on the microstructure and wear behavior of cold-sprayed Al-SiC coatings deposited on AZ31 alloy substrate

As a promising and recently developed deposition technique, cold spray deposition method is among the most recently implemented approaches to enhance the poor hardness and wear resistance of AZ31B magnesium alloy. This study investigated the effect of SiC content on the microstructural characteristics, microhardness, and wear behavior of cold-sprayed Al-(16, 28, and 38 wt%) SiC composite coatings. The incorporation of SiC particles into the Al-matrix coating led to the development of a mechanical interlocking mechanism and improved coating-substrate interfacial bonding. The microhardness of the Al-38 wt% SiC coating was approximately 80 % higher than that of the bare substrate due to reduced porosity and a uniform distribution of SiC particles. For coatings with higher SiC content, the dominant wear mechanism transitioned from adhesive to abrasive wear, as evidenced by the friction coefficient (COF) values and wear track micromorphology. The Al-16 wt% SiC coating exhibited the lowest COF and wear rate values, indicating superior wear resistance among the specimens.

Urban wastewater disinfection by FeCl3-activated biochar/peroxymonosulfate system: Escherichia coli inactivation and microplastics interference

Biochar coupled with peroxymonosulfate (PMS) to produce sulfate radicals and its application to urban wastewater disinfection has been rarely investigated and no information is available about microplastics (MPs) interference on the disinfection process. In this study, FeCl3-activated biochar (Fe-BC) was coupled to PMS to evaluate the inactivation of Escherichia coli (E. coli) in real secondary treated urban wastewater. Surface morphology of Fe-BC sample, characterized by Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS), showed a rough texture with uniform distribution of iron particles over the entire surface area. E. coli inactivation improved (∼3.8 log units, detection limit = 1 CFU/100 mL) as Fe-BC concentration was decreased (from 1.0 g/L to 0.5 g/L), at a constant PMS dose (300 mg/L). Besides, removal efficiency of E. coli was negatively affected by the presence of small (30–50 μm) polyethylene MPs (PE MPs) (200 mg/L), which could be attributed to the adsorption of MPs on Fe-BC surface, according to SEM images of post-treated Fe-BC. The low disinfection efficiency of Fe-BC/PMS system in presence MPs could be due to blocking of Fe-BC sites for PMS activation and/or radicals scavenging during treatment. These results allowed to unveil the mechanisms of MPs interference on E. coli inactivation by Fe-BC/PMS, as well as the potential of this process to make the effluent in compliance with the stringent limit for agricultural reuse.

Exploring wear resistance: Three-body abrasion evaluation of HVOF-sprayed TiC and CoNi coatings on SS316 steel

This study investigated the performance of High-Velocity Oxygen Fuel (HVOF)-sprayed Titanium Carbide (TiC) and TiC + 50C (50%TiC + 50%CoNi) coatings on SS316 steel under three-body abrasion conditions. The microstructural analysis revealed a homogeneous distribution of TiC particles within the TiC coatings, while the TiC + 50C coatings exhibited a more complex microstructure due to the presence of Co-Ni alloy. Mechanical testing demonstrated the superior microhardness of TiC coatings compared to the SS316 substrate, suggesting enhanced wear resistance. Slurry abrasion tests indicated reduced mass loss rates for both TiC and TiC + 50C coatings compared to uncoated SS316 steel, with TiC coatings exhibiting superior resistance to abrasive wear. Post-abrasion examination revealed distinct wear patterns, including abrasive chipping, plowing marks, crater formation, wear traces, and surface ruggedness.

Application of instance segmentation algorithm incorporating attention mechanism and BiFPN for sinter ore particle size recognition

The particle size composition of sinter plays a decisive role in the output and energy consumption of blast furnace ironmaking. To reduce energy consumption and achieve efficient production, accurate measurement of sinter particle size and distribution has become an important issue. Due to the problems of adhesion, large size difference and edge effect in sinter image, the traditional image segmentation algorithm makes it difficult to effectively separate sinter. This paper proposes an intelligent recognition method of sinter particle size based on an improved BlendMask instance segmentation algorithm. Bidirectional feature pyramid network is used to replace the feature pyramid network structure (FPN), and the attention mechanism Convolutional Block Attention Module (CBAM) is introduced to improve the ability to extract shallow features and enhance the ability to identify adherent sinter. The test results show that the average detection accuracy mean average precision (mAP) of the model proposed in this article is 71.0%, and the mAP50 is 93.8%. The average segmentation accuracy mAP is 68.0% and mAP50 is 93.8%. The identified sinter images were then edge-refined using morphological methods to collect statistics on the particle size distribution of the sinter. Compared with the actual measured sinter particle size, the average relative error is 4.9%. This method can accurately identify sinter in complex environments, improve the production efficiency of sinter, optimise resource utilisation and reduce personnel costs and has important application prospects.

The Crushing Distribution Morphology of a Single Particle Subjected to Rotary Impact.

In a vertical shaft impact crusher, the particle crushing process is extraordinarily complex, and the particle shape significantly influences the size distribution of the crushed product. To quantify the crushing behavior of particles more accurately and thus reveal the crushing mechanism of the crusher, an analytical approach is suggested for characterizing the crushing distribution of particles subjected to rotational impact. First, according to the working principle of vertical shaft impact crusher, a rotary impact tester was designed, and the cumulative damage model of particles under repetitive impact was established based on the theory of fracture mechanics, based on which the simulation model of single-particle rotary impact tester was constructed. Then, seven distinct particle shapes were established based on the particle shapes observed during the crusher's actual production. Finally, an investigation was conducted using the simulation model to examine the impact of various rotor velocities and particle shapes on the macroscopic mechanical properties and crushing distribution attributes of single-particle crushing. In the single-particle rotary impact crushing experiments, the findings indicated that the particle crushing transpired at the site of contact with the anvil. The particle size distribution of subparticles generated through the crushing with distinct particle shapes all exhibit single-peak characteristics as rotor speed increases. The magnitude of the peak value progressively escalates in tandem with the rotor speed increase. Furthermore, as the rotor speed increases, so do the cumulative mass distribution and the maximum continuous crushing cumulative mass. When the horizontal aspect ratio of the particles is V < 1 and V > 1, the crushing effect of the particles is poor at the same rotational speed; the curve of the maximum continuous crushing degree has an inverted "V″ shape. The crushing effect of the particles improves as their edges become progressively sharper, and the maximum continuous crushing degree of the particles increases as the edge sharpness of the particles advances.

Influence of contouring on the microstructure and micromechanical properties of Laser Powder Bed Fusion (LPBF) processed Al6061 enhanced with reactive particles

Age-hardenable aluminum alloys are of interest for powder bed fusion (PBF) additive manufacturing to produce lightweight, high-performance custom components. The successful processing of these alloys depends on specific alloying and print techniques to overcome defects that significantly degrade mechanical properties of PBF aluminum. The Reactive Additive Manufacturing (RAM) process modifieds alloy feedstock with reactive precursors which inoculate equiaxed microstructures during solidification, resulting in a reduction of columnar grain growth and shrinkage cracks. Additionally, surface quality is addressed by contouring, which retraces the perimeters of printed layers to produce smooth, fully fused surfaces. However, the combination of RAM and contouring methods has not been previously described in the literature, raising questions about the extent of refinement which is achieved when RAM particles are remelted by contouring laser sweeps. In this research, X-ray microcomputed tomography (XCT) was used to provide a complete characterization of RAM particles and defects in an AA6061-RAM alloy in 3D. The non-destructive XCT technique was used to quantify pore and particle distributions in the contoured alloy volumes and compared directly to hatched regions. The resulting three-dimensional analysis was correlated to traditional 2D microstructure quantification and nanoindentation experiments, providing a multimodal quantitative description of sub-micron grains, reaction products, and micromechanical properties. The study reveals that RAM particles inhibit cracking while simultaneously reducing the variance in mechanical properties between hatched and contoured regions of the build volume.

Polyacrylonitrile as a binder realizes high-rate activated-carbon-based supercapacitors

Highly polar CN functional groups on polyacrylonitrile (PAN) facilitate strong hydrogen bonding and dipole-dipole interactions with hydroxyl groups on the surfaces of active materials and current collectors. Here we report that the strong interaction between PAN and carbon black (CB) particles facilitates a uniform distribution of CB particles within the electrode and forms a well-connected conductive network on the surface of active material particles. This significantly enhances electron transport within the electrode, offering superior rate performance and cycling stability beyond traditional binders like polyvinylidene fluoride (PVDF). Activated carbon (AC) electrodes containing 7.70 wt.% PAN binder (AC-7.7PAN) deliver areal capacitances over 0.60 F cm⁻2 at a scan rate of 500 mV s⁻1, and exhibits a high gravimetric energy density (Eg) of 26.20 Wh kg⁻1 and high areal energy density (Ea) of 0.33 mWh cm⁻2 at a current density of 1 A g⁻1. An AC-7.7PAN coin-cell supercapacitor maintains up to 62 % of its initial capacitance at a scan rate of 200 mV s⁻1, while a controlled AC-7.7PVDF coin-cell keeps only 37 % under the same conditions. The AC-7.7PAN coin-cell retains 91 % of its capacity even after 50,000 charge/discharge cycles at a constant current of 5 A g⁻1. The ability of PAN to evenly distribute conductive agents might be attractive for other power-type electrochemical electrodes, for which effective electron transport are extremely required.

Investigating the effect of ZIF-8@PEI filler and its comparison with ZIF-8 in mixed matrix membranes for CO2/CH4 separation with the help of DFT study

In this study, Zeolitic Imidazolate Framework-8 (ZIF-8) and modified ZIF-8 (ZIF-8@PEI)with polyethyleneimine (PEI) were used as dispersed particles inside the polysulfone (PSF) matrix to separate CO2 and CH4. The distributions of dispersed particles in mixed matrix membranes (MMMs) were analysed with the help of Fourier transfer infrared radiation, Thermal gravimetric analysis, Scanning electronic microscope and X-ray diffraction. The mixed matrix membranes investigated the permeability and selectivity of pure gas (CO2) and mixed gas (CO2/CH4). It was highest at 5 wt% ZIF-8@PEI blended into the PSF matrix. In case of pure gas studies, we investigated the CO2 permeability (18.10 Barrer) and CO2/CH4 selectivity (23.91) as compared to ZIF-8/PSF MMM (10.36 Barrer, 5.81); and in case of mixed gas studies, the CO2 permeability (17.11 Barrer) and CO2/CH4selectivity (21.28) as compared to ZIF-8/PSF MMM (7.86 Barrer, 4.21).Using DFT studies, the interaction energies of the ZIF-8@PEI material with CO2 and CH4 gas molecules werefound to be -74.39 kJ/mol and -23.25 kJ/mol, respectively. It was more toward the ZIF-8@PEI-CO2geometry complex.From the observation, the experimentalgas permeation results and DFT studiesinvestigated that ZIF-8@PEI filler can be a good candidate for applying CO2 capture.