Polyethylene Surface Research Articles

Gamma radiation induced tailoring the structural, optical, surface and mechanical properties of UHMWPE

The present investigation examined how the resultant gamma radiation affected the ultra-high molecular weight polyethylene's (UHMWPE) mechanical, optical, surface, and structural characteristics. Different gamma doses of 75, 150, 250, and 350 kGy were applied to the UHMWPE samples. The study of physical and chemical qualities has involved a variety of spectroscopy techniques, including Fourier Transform Infrared spectroscopy, X-ray diffraction, mechanical property changes, and biocompatibility properties. New bands are formed, as indicated by FT-IR analysis, and this process is linked to the oxidation of irradiation polymer chains and the production of carbon dioxide. The crystallinity of irradiated samples increases as the gamma radiation increases, according to XRD patterns. The analyzed optical results exhibit improvements in the optical characteristics of the irradiated samples. The absorbance spectra of the irradiated samples showed a shift toward the high of wavelength values in the absorption edge as compared to the pristine sample. On the other hand, the optical absorption edge has an increasing tendency as the dose of gamma-ray radiation is increased. As the gamma-ray dose increases, the absorption edge moves toward the longer wavelength. The measurements of the contact angle indicate that the surface free energy rises with increasing gamma irradiation. It was detailed how the mechanical properties of the irradiated UHMWPE samples were measured. The mechanical measurements indicate that the mechanical properties are dose-dependent to some extent. Furthermore, as gamma doses rise, so does the hardness of irradiated UHMWPE.

Enhanced thermal conductivity of UHMWPE by coating boron nitride and polyurethane composites

The development of textile wearable electronics has increased demands and requirements for thermal management materials due to integrated and miniaturized soft equipment. In this work, the surface of ultrahigh molecular weight polyethylene (UHMWPE) fibers was first decorated by polydopamine (PDA) to improve the surface activity and construct a steady interface layer. Then the boron nitride/polyurethane coating surface modified UHMWPE composite yarns with good thermal conductivity were produced using a coaxial wet forming process. The thermally conductive composite yarns demonstrated great mechanical properties (5.09 % strain, 0.79 N/tex strength) and thermal conductivity (0.54 ± 0.02 W·mK−1) with the BN/PU weight ratio of 1. Furthermore, the resistance to failure cycles was taken place, and the composite yarns kept good thermal conductivity after multiple cycles twisting, bending, washing, cooling and heating cycles. By the coaxial wet fabrication, the thermally conductive composite yarns were constructed, offering a viable and trustworthy method for creating polymer-based thermal interface materials with high thermal conductivity.

Effect of biosurfactants on the transport of polyethylene microplastics in saturated porous media

Microplastic (MP) pollution has become a significant global environmental issue, and the potential application of biosurfactants in soil remediation has attracted considerable attention. However, the effects of biosurfactants on the transport and environmental risks of MPs are not fully understood. This study investigated the transport of polyethylene (PE) in the presence of two types of biosurfactants: typical anionic biosurfactant (rhamnolipids) and non-ionic biosurfactant (sophorolipids) using column experiments. We explored the potential mechanisms involving PE surface roughness and the influence of dissolved organic matter (DOM) on PE transport in the column under the action of biosurfactants, utilizing the Wenzel equation and fluorescence analysis. The results revealed that both the concentration of biosurfactants and the surface roughness of PE were advantageous for the adhesion of biosurfactants to the PE surface, thereby enhancing the mobility of PE in the column. The proportion of hydrophobic substances in various DOM sources is a critical factor that enhances PE transport in the column. However, the biosurfactant-mediated enhancement of PE transport was inhibited by the biosurfactant-DOM mixture. This was mainly due to DOM occupying the adhesion sites of biosurfactants on PE surfaces. Moreover, the mobility of PE in the presence of sophorolipids is higher than that in the presence of rhamnolipids because the combined hydrophobic and electrostatic forces between PE and sophorolipids create synergistic effects that improve PE stability. Additionally, the mobility of PE increased with rising pH and decreasing ionic strength. These findings provide a more comprehensive understanding of MP transport when using biosurfactants for soil remediation.

Controlling Staphylococcus aureus Biofilm on Food Contact Surfaces: The Efficacy of Oliveria decumbens Essential Oil and its Implications on Biofilm-Related Genes.

This study aimed to investigate the effect of Oliveria decumbens essential oil (Od-EO) on the phenotypic properties and gene expression of Staphylococcus aureus biofilm on commonly used food contact surfaces. The minimum inhibitory concentration and minimum bactericidal concentration of Od-EO on Staphylococcus aureus ATCC25923 were determined to be 0.5 and 1µl/mL, respectively. Crystal violet staining, scanning electron microscopy (SEM), biofilm metabolic activity evaluation and Real-time PCR analysis were used to assess the anti-biofilm properties of Od-EO. The results demonstrated that Od-EO exhibited significant anti-biofilm properties against S. aureus and effectively reduced the metabolic activity of biofilm cells. Furthermore, the inhibitory effects of Od-EO on biofilm formation were more pronounced on Stainless Steel (SS) compared to High Density Polyethylene (HDPE) surfaces. Real-time PCR analysis revealed that Od-EO downregulated the expression of biofilm-related genes (icaA, icaD, clfA, clfB, FnbA, FnbB, hld) in S. aureus grown on SS, while the expression levels of all studied genes except hld in the biofilm formed on HDPE remained unchanged or increased. One of the main anti-biofilm mechanisms of the Od-EO on the HDPE is related to the disturbance in the QS of the cells. These findings highlight the potential of Od-EO as an effective agent for controlling and inhibiting S. aureus biofilm in the food industry and its potential use in disinfectant compounds.

Plasma-Chemical Modification of Polyethylene Surface for Copolymerization with Diallyldimethylammonium Chloride

Plasma-Chemical Modification of Polyethylene Surface for Copolymerization with Diallyldimethylammonium Chloride

Effect of plasma-activated water on planktonic and biofilm cells of Vibrio parahaemolyticus strains isolated from cutting board surfaces in retail seafood markets.

This research aimed to analyze cutting board surfaces in seafood markets to find Vibrio parahaemolyticus, assess the isolates' ability to form biofilms, generate and evaluate characteristics of plasma-activated water (PAW), and compare the effect of PAW on planktonic and biofilm cells of the isolated V. parahaemolyticus strains. A total of 11V. parahaemolyticus strains were isolated from 8.87% of the examined cutting boards. Biofilm-forming ability was evaluated for these isolates at temperatures of 10°C, 20°C, and 30°C using crystal violet staining. Four strains with the highest biofilm potential were selected for further analysis. The pH of the PAW used in the study was 3.41±0.04, and the initial concentrations of hydrogen peroxide, nitrate, and nitrite were 108±9.6, 742±61, and 36.3±2.9µM, respectively. However, these concentrations decreased significantly within 3-4 days during storage at room temperature. PAW exhibited significant antimicrobial effects on V. parahaemolyticus planktonic cells, reducing viable bacteria up to 4.54 log CFU/ml within 20 min. PAW also reduced the number of biofilm cells on stainless steel (up to 3.55 log CFU/cm2) and high-density polyethylene (up to 3.06 log CFU/cm2) surfaces, although to a lesser extent than planktonic cells. PAW exhibited significant antibacterial activity against V. parahaemolyticus cells, although its antibacterial properties diminished over time. Furthermore, the antibacterial activity of PAW against biofilm cells of V. parahaemolyticus was less pronounced compared to the planktonic cells. Therefore, the actual effectiveness of PAW in seafood processing environments can be affected by biofilms that may form on various surfaces such as cutting boards if they are not cleaned properly.

Direct Functionalization of Polyethylene Surfaces with High-Density Polymer Brushes.

Introducing functionality onto PE surfaces is a longstanding challenge in polymer science, driven by the need for polymer materials with improved adhesion and antifouling properties. Herein, we report surface-initiated hydrogen atom transfer-reversible addition-fragmentation chain transfer (SI HAT-RAFT) as a robust method to grow high-density brush polymers from PE surfaces. We demonstrate that, under mild conditions, direct initiation from the C-H bonds of PE surfaces allows for the graft polymerization of a variety of (meth)acrylate monomers. The resulting polymer brushes reached several hundred nanometers in thickness with densities of ca. 0.62 chains/nm2, compared to the current standard of ∼0.28 chains/nm2. Finally, we show that our method is capable of dramatically improving the adhesive properties of PE surfaces. This work enables the preparation of PE with diverse surface functionalities for potential use in biomedical, industrial, and battery applications.

Nanoscale Abrasive Wear of Polyethylene: A Novel Approach To Probe Nanoplastic Release at the Single Asperity Level.

There is a growing concern that nanoplastic pollution may pose planetary threats to human and ecosystem health. However, a quantitative and mechanistic understanding of nanoplastic release via nanoscale mechanical degradation of bulk plastics and its interplay with photoweathering remains elusive. We developed a lateral force microscope (LFM)-based nanoscratch method to investigate mechanisms of nanoscale abrasive wear of low-density polyethylene (LDPE) surfaces by a single sand particle (simulated by a 300 nm tip) under environmentally relevant load, sliding motion, and sand size. For virgin LDPE, we found plowing as the dominant wear mechanism (i.e., deformed material pushed around the perimeter of scratch). After UVA-weathering, the wear mechanism of LDPE distinctively shifted to cutting wear (i.e., deformed material detached and pushed to the end of scratch). The shift in the mechanism was quantitatively described by a new parameter, which can be incorporated into calculating the NP release rate. We determined a 10-fold higher wear rate due to UV weathering. We also observed an unexpected resistance to initiate wear for UV-aged LDPE, likely due to nanohardness increase induced by UV. For the first time, we report 0.4-4 × 10-3 μm3/μm sliding distance/μN applied load as an initial approximate nanoplastic release rate for LDPE. Our novel findings reveal nanoplastic release mechanisms in the environment, enabling physics-based prediction of the global environmental inventory of nanoplastics.

Stable isotopes and nanoSIMS single-cell imaging reveals soil plastisphere colonizers able to assimilate sulfamethoxazole

The presence and accumulation of both, plastics and antibiotics in soils may lead to the colonization, selection, and propagation of soil bacteria with certain metabolic traits, e.g., antibiotic resistance, in the plastisphere. However, the impact of plastic-antibiotic tandem on the soil ecosystem functioning, particularly on microbial function and metabolism remains currently unexplored. Herein, we investigated the competence of soil bacteria to colonize plastics and degrade 13C-labeled sulfamethoxazole (SMX). Using single-cell imaging, isotope tracers, soil respiration and SMX mineralization bulk measurements we show that microbial colonization of polyethylene (PE) and polystyrene (PS) surfaces takes place within the first 30 days of incubation. Morphologically diverse microorganisms were colonizing both plastic types, with a slight preference for PE substrate. CARD-FISH bacterial cell counts on PE and PS surfaces formed under SMX amendment ranged from 5.36 × 103 to 2.06 × 104, and 2.06 × 103 to 3.43 × 103 hybridized cells mm−2, respectively. Nano-scale Secondary Ion Mass Spectrometry measurements show that 13C enrichment was highest at 130 days with values up to 1.29 atom%, similar to those of the 13CO2 pool (up to 1.26 atom%, or 22.55 ‰). Independent Mann-Whitney U test showed a significant difference between the control plastisphere samples incubated without SMX and those in 13C-SMX incubations (P < 0.001). Our results provide direct evidence demonstrating, at single-cell level, the capacity of bacterial colonizers of plastics to assimilate 13C-SMX from contaminated soils. These findings expand our knowledge on the role of soil-seeded plastisphere microbiota in the ecological functioning of soils impacted by anthropogenic stressors.

Functionalized γ-Boehmite Covalent Grafting Modified Polyethylene for Lithium-Ion Battery Separator.

In the field of lithium-ion batteries, the challenges posed by the low melting point and inadequate wettability of conventional polyolefin separators have increased the focus on ceramic-coated separators. This study introduces a highly efficient and stable boehmite/polydopamine/polyethylene (AlOOH-PDA-PE) separator. It is crafted by covalently attaching functionalized nanosized boehmite (γ-AlOOH) whiskers onto polyethylene (PE) surfaces. The presence of a covalent bond increases the stability at the interface, while amino groups on the surface of the separator enhance the infiltration of the electrolyte and facilitate the diffusion of lithium ions. The PE-PDA-AlOOH separator, when used in lithium-ion batteries, achieves a discharge capacity of 126 mAh g-1 at 5 C and retains 97.1% capacity after 400 cycles, indicating superior cycling stability due to its covalently bonded ceramic surface. Thus, covalent interface modification is a promising strategy to prevent delamination of ceramic coatings in separators.

Polyethylene Film Surface Modification via Benzoic Acid Grafting.

A polyethylene (PE) film surface modification method is proposed via benzoic acid (BA) alkylation grafting to improve the surface affinity to polar substances. The procedure involves sequentially spraying AlCl3 and BA onto the heat-softened PE surface. The occurrence of the alkylation reaction was evaluated through comparative chemical, morphological, and thermal analyses. It was demonstrated that the grafting reaction of BA onto the PE film surface took place, limited to the surface layer, while preserving the bulk properties of PE. The reaction resulted in the formation of aluminum benzoate complexes, which improved the surface affinity to polar compounds. The impact of grafting on the surface properties of PE was further assessed by comparing the behavior of PE films treated with BA and untreated PE films when painted with watercolors. The PE film grafted with BA exhibited increased affinity towards watercolors, providing strong evidence of a change in surface polarity from hydrophobic to hydrophilic. These findings indicate that the proposed methodology effectively renders the PE surface paintable, even with non-toxic water-based inks, making it suitable for applications such as packaging.

Facile design of the nanofiltration membrane with Cu2+-incorporated aminated polyethylene substrate for highly selective magnesium/lithium separation

Efficient separation of magnesium and lithium ions (Mg2+/Li+) from high Mg2+/Li+ ratio salt-lake brines using nanofiltration (NF) technology is crucial for stabilizing lithium resources in light of the increasing demand for lithium-based products. Although positively charged NF membranes show promise in selectively separating Mg2+ and Li+ ions, the issues of inefficiency and undesirable trade-offs in perm-selectivity remain pressing. In this study, we presented a breakthrough in creating a highly permeable NF membrane tailored for selective Mg2+/Li+ separation using the cost-effective polyethylene (PE) as the substrate for the preparation of the NF supporting layer. Employing a facile and low-cost Cu2+-incorporated amination process, the hydrophilization of PE substrate was accomplished. This innovative Cu2+-incorporated amination technique not only facilitated rapid hydrophilization but also established a positively charged PE surface while simultaneously regulating the formation of a thinner and loose polyethyleneimine (PEI)-based polyamide (PA) skin layer (∼26 nm) through the coordination bonding between the Cu2+ and amine groups. Consequently, the resultant NF membrane achieved simultaneous enhancements in permeability (∼16 L m−2 h−1 bar−1) and selectivity for Li+/Mg2+ (33) during the nanofiltration of the simulated brine, effectively reducing high Mg2+/Li+ ratios in the feed close to 1 in the permeate, and making it suitable for the subsequent precipitation to produce Li2CO3. Furthermore, this membrane demonstrated remarkable long-term stability, with stable NF operation continuously for over 7 days, owing to its robust Cu2+-induced aminated PE supporting layer and PEI-based PA skin layer. Our work underscores the simplicity and cost-effectiveness of the Cu2+-incorporated amination process in achieving superior PE-based NF membranes, specifically targeting lithium extraction from salt-lake brines.

Adhesion to untreated polyethylene by diffusion: Effect of polyurethane adhesive molecular weight on polyethylene penetration

Polyethylene is the most consumed plastic globally; however, its poor adhesiveness poses serious challenges, particularly in the fabrication of composites and the recycling of mixed plastic waste. While these unfavorable properties are conventionally improved by pretreating the polyethylene surface, the treated surface frequently reverts to its original state over time, which is an unresolved drawback. Here, we describe a novel adhesion system; a polyurethane adhesive penetrates an amorphous part of untreated polyethylene and they form a mixing layer at the adhesive interface. The interfacial mixing layer forms upon heat treatment, even below the melting point of polyethylene and the polymers bind tightly at the interface via entanglement. The peel strength increases with increasing the thickness of the mixing layer. While decreasing the molecular weight of polyurethane promotes inter-diffusion, it also causes a decline in the mechanical strength of the polyurethane adhesive layer. Polyurethanes with optimally balanced molecular weight exhibit superior adhesion due to balance diffusivity and mechanical strength.

Thermally stable poly-aromatic solid electrolyte coated polyethylene membrane as high-performance lithium-ion battery separator

Improving the dimensional stability and electrolyte wettability of polyolefin separators is crucial to enhancing the safety and performance of power lithium-ion batteries (LIBs). In this work, composited separators that significantly improve both thermal stability and solvent wettability are prepared by coating polyaromatic solid electrolyte (sulfonated poly(aryl ether ketone), SPAEK) onto the surface of commercial polyethylene (PE) separators. Interestingly, the coating layer formed by SPAEK with a 60% sulfonation degree exhibits abundant porous structure owing to the polar sulfonic group inducing a retarded phase separation process. The polyelectrolyte coating layer enables both super-electrolyte affinity and higher electrolyte uptake of the composite separator. Moreover, the composited separator presents much better comprehensive properties, including thermal stability and ionic conductivity. As a result, the SPAEK-coated composite separator assembles LiNi0.83Co0.11Mn0.06O2 (NCM811)/Li battery exhibits a higher capacity retention rate of 84.01% at 2 C with a specific capacity of 151.25 mAh g−1 after 200 cycles. Hence, this modified separator is a potential material that facilitates high performance and safety for Li-ion batteries.

The wear and kinematics of two medially stabilised total knee replacement systems

BackgroundMedially stabilised total knee replacement systems aim to provide a more natural feeling knee replacement by providing increased stability through flexion. The aim of this study was to compare the kinematics and wear of two different medially stabilised total knee replacement systems in an experimental simulation study. The Medial Rotation Knee™ system (MRK) is an early medially stabilised knee (>20 years clinical success); the SAIPH® knee system being a more modern and refined, bone conserving evolution of the original design with a larger size range. MethodsThree SAIPH and three MRK total knee replacements (MatOrtho Ltd, UK) were investigated. The study was performed on a knee simulator with load controlled input kinematic conditions (ISO 14243–1). 6 million cycles of simulation were carried out with the wear of the UHMWPE tibial components assessed gravimetrically. The resulting anterior-posterior translation and tibial rotation position was measured throughout the study. ResultsThe mean UHMWPE wear rate was 0.57 ± 0.71 and 1.24 ± 2.0 mm3/million cycles for SAIPH and MRK total knee replacement systems respectively with no significant difference in wear (p = 0.24). Analysis of simulator output kinematics showed a larger range of anterior-posterior motion for SAIPH total knee replacements compared to MRK. The magnitude of tibial rotation was low for both knee replacement systems. ConclusionThe small magnitude of anterior-posterior displacement and tibial rotation motion demonstrates the inherent stability of this knee system design offered by the constrained medial compartment. This study shows the potential for medially stabilised knee systems as a low polyethylene surface wear solution.

Modulating Aspergillus fumigatus biofilm formation: Antifungal-induced alterations in conidium-abiotic surface interactions

Biofilm prevention on surfaces supporting microbial growth is an alternative strategy to manipulating microbial cells. This study focuses on Aspergillus fumigatus, a prominent airborne fungal pathogen. We exposed glass, acrylic, high-density polyethylene (HDPE), Nylon 6, polytetrafluoroethylene (PTFE), silicone, and unplasticized polyvinyl chloride (uPVC) surfaces to antifungal agents (triclosan, liposomal amphotericin-B (L-AMB), tyrosol, and farnesol) to study A. fumigatus conidium-abiotic surfaces interactions.The total protein concentrations of A. fumigatus mycelia were quantified after growth in both a broth medium and on agar, subsequent to treatment with the agents. The hydrophobicity of chosen surfaces and the fungus was assessed using the contact angle and the microbial adhesion to hydrocarbons (MATH) assays, respectively, when subjected to antifungal agents. Moreover, A. fumigatus biofilms on uPVC and PTFE were evaluated through transmission flow-cell culture and optical microscopy.Hydrophobic surfaces (PTFE and silicone) impregnated with farnesol transformed into hydrophilic. Conversely, L-AMB altered the surface properties of uPVC from hydrophilic to hydrophobic, potentially as a result of L-AMB's interaction with the TiO2 component in uPVC. Considering the effect of antifungals on conidia, A. fumigatus conidia surfaces exhibited a shift from hydrophobic to hydrophilic characteristics under the influence of these agents.

LLDPE film development surface with nucleating agents to reduce fat stains from food adherence on the film surface for easy rinsing before recycling

The purpose of this research was to enhance the surface of linear low-density polyethylene (LLDPE) film by using single and hybrid nucleating agents to reduce fat stains from food adherence on the film surface for easy rinsing before recycling, consequently reducing energy consumption before recycling. The process begins with the preparation of a high-concentration masterbatch of LLDPE with nucleating agents and polyethylene glycol (PEG), followed by blown film and test analysis. The results showed that both single and hybrid nucleating agents resulted in substantial modifications in the surface characteristics of the film. The altered surface texture of the film makes fat stains easy to remove. In addition, the use of hybrid nucleating agents resulted in considerable roughness on the film's surface. It can calculate the average roughness (Ra) from atomic force microscopy (AFM) images, which is very low at 4.7 nm, and the roughness is consistent. The contact angle was 99.17 degrees, and the percentage of crystallinity was clearly higher than that of a single nucleating agent. As a result, the fat stains on the film surface are easier to remove. The visual appearance, morphology, functional group, and mechanical properties of the films, on the other hand, were not significantly different. In summary, using a nucleating agent helped to rinse fat stains from the film easily.

Enhancing polyethylene degradation: a novel bioprocess approach using Acinetobacter nosocomialis pseudo-resting cells.

Despite the discovery of several bacteria capable of interacting with polymers, the activity of the natural bacterial isolates is limited. Furthermore, there is a lack of knowledge regarding the development of bioprocesses for polyethylene (PE) degradation. Here, we report a bioprocess using pseudo-resting cells for efficient degradation of PE. The bacterial strain Acinetobacter nosocomialis was isolated from PE-containing landfills and characterized using low-density PE (LDPE) surface oxidation when incubated with LDPE. We optimized culture conditions to generate catalytic pseudo-resting cells of A. nosocomialis that are capable of degrading LDPE films in a bioreactor. After 28days of bioreactor operation using pseudo-resting cells of A. nosocomialis, we observed the formation of holes on the PE film (39 holes per 217 cm2, a maximum diameter of 1440μm). This study highlights the potential of bacteria as biocatalysts for the development of PE degradation processes. KEY POINTS: • New bioprocess has been proposed to degrade polyethylene (PE). • Process with pseudo-resting cells results in the formation of holes in PE film. • We demonstrated PE degradation using A. nosocomialis as a biocatalyst.

XLPE cable joint defects measurement method based on point cloud remapping

For the problems of low detection accuracy caused by weak texture and strong reflection on the surface of Cross-linked polyethylene (XLPE) high-voltage cable joint, this paper proposed a joint point cloud remapping and image segmentation method for the cable joint defects measurement, which improved the defects measurement accuracy from the correlation of the disordered point cloud and the salience of defects. Firstly, the discrete noise in the joint point cloud is removed using a modified radius filtering algorithm. Secondly, for the problems of disorderliness and weak association of the cable joint point cloud, we utilized Rodrigues' rotation formula (RRF) to correct the position of the XLPE cable joint point cloud. Then, for the demand of improving feature expression of non-significant defects, a point cloud remapping method is proposed, which remapping insignificant defects point cloud into saliency image for more effective detection. Lastly, an image segmentation method based on 8-neighborhood growth is applied for explicit defects detection, and the detected defects are quantified by the proposed measurement approach. Extensive experiments are conducted on the collected cable joints' point cloud and simulated cable joints' point cloud. With the help of the proposed method, we can achieve the best effects in DE, FR quantitative comparison, and the measurement inaccuracies are less than 4.5%. Experimental results demonstrate that the proposed method enjoys state-of-the-art performance in cable joint defects measurement.

Interfacial quantum chemical characterization of aromatic organic matter adsorption on oxidized microplastic surfaces

Examining the adsorption efficiency of individual contaminants on microplastics (MPs) is resource-intensive and time-consuming. To address this challenge, combined laboratory adsorption experiments with model simulations were performed to investigate the adsorption capacities and mechanisms of MPs before and after aging. Our adsorption experiments revealed that aged polyethylene (PE) and polyvinyl chloride (PVC) MPs exhibited increased adsorption capacity for benzene, phenol, and naphthalene. Additionally, density functional theory (DFT) simulations provided insights into changes in adsorption sites, adsorption energy, and charge density on MPs. The π bond of the benzene ring emerged as a pivotal factor in the adsorption process, with van der Waals forces exerting dominant influence. For instance, the adsorption energy of benzene on pristine PE was −0.01879 eV. When oxidized groups, such as hydroxyl, carbonyl, and carboxyl, on the surface of aged PE became the adsorption sites, the adsorption energy increased to −0.06976, −0.04781, and −0.04903 eV, respectively. Regions with unoxidized functional groups also exhibited higher adsorption energies than pristine PE. These results indicated that aged PE had a stronger affinity for benzene compared to pristine PE, enhancing its adsorption. Charge density difference and energy density of states corroborated this observation, revealing larger π-bond charge accumulation areas for benzene on aged PE, suggesting stronger dipole interactions and enhanced adsorption. Similar trends were observed for phenol and naphthalene. In summary, the DFT calculations aligned with the adsorption experiment findings, confirming the effectiveness of simulation methods in predicting changes in the adsorption performance of aged MPs.