Polymer Degradation and Stability最新文献

{"title":"Introducing a polysiloxane coating on flame retardant to realize durable UV resistance and flame retardancy of polypropylene","authors":"Xinqi Di ,&nbsp;Xinyu Chen ,&nbsp;Yujie Kang ,&nbsp;Jing Yang ,&nbsp;Yangming Zou ,&nbsp;Jiang Jing ,&nbsp;Jun Sun ,&nbsp;Hongfei Li ,&nbsp;Xiaoyu Gu ,&nbsp;Sheng Zhang","doi":"10.1016/j.polymdegradstab.2025.111403","DOIUrl":"10.1016/j.polymdegradstab.2025.111403","url":null,"abstract":"<div><div>The applications of polypropylene (PP) are severely limited by its flammability and poor resistance to UV aging. Melamine hydrogen bromide (MHB) and aluminum hypophosphite (AHP) are widely used as synergistic flame retardants. Hindered amine light stabilizers (HALS) are typically used as anti-UV agents for polyolefins. However, the direct combination of acidic MHB and basic HALS induces antagonistic interactions, leading to a deterioration in material performance. In this work, antagonism is mitigated by coating MHB with polysiloxane (Si-MHB). Moreover, the polysiloxane layer can improve the compatibility between the flame retardant and PP, thereby enhancing flame retardancy and mechanical properties. PP composites containing Si-MHB, AHP, and HALS derivative were prepared. After 60 h of UV exposure, the surface of PP/Si-MHB/AHP/HALS119 remained relatively smooth with some shallow cracks. The water contact angle was maintained at 92°, and the carbonyl index decreased to 10.45, pointing out that the degree of photodegradation was significantly lower than that observed in the control samples. Besides, the limiting oxygen index (LOI) of PP/Si-MHB/AHP/HALS119 reached up to 26.5 %. After 60 h of UV irradiation, LOI decreased to 24.8 % and still maintained UL-94 V-0 rating, the tensile strength and impact strength decreased by 7 % and 10.2 %, which was a significantly lower reduction compared to the control samples. The above results demonstrate that the coating polysiloxane can effectively mitigate the antagonistic interactions between MHB and HALS119, effectively enhancing the UV aging resistance, flame retardancy, and mechanical properties of PP composites.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111403"},"PeriodicalIF":6.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143923990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Towards sustainability by integrated microbial degradation and closed-loop biological recycling of the copolymer poly (3-hydroxybutyrate-co-3-hydroxyvalerate) by Azohydromonas australica DSM 1124","authors":"Sirirach Nanthachai ,&nbsp;Beom Soo Kim ,&nbsp;Kohsuke Honda ,&nbsp;Suchada Chanprateep Napathorn","doi":"10.1016/j.polymdegradstab.2025.111420","DOIUrl":"10.1016/j.polymdegradstab.2025.111420","url":null,"abstract":"<div><div>Achieving a fully closed-loop waste management system for polyhydroxyalkanoates (PHA) is a key focus for sustainable solutions. Among the one hundred forty-two PHA-producing strains tested, <em>Azohydromonas australica</em> DSM 1124 showed a remarkable ability to degrade poly (3-hydroxybutyrate-<em>co</em>-3-hydroxyvalerate, PHBV) on PHBV-suspended agar media. The effects of different carbon‒nitrogen (C/N) ratios (mol/mol) were investigated in mineral salt media (MSM) and compared with those in yeast extract peptone (YP) media. The C/N ratio of 770 yielded the greatest PHBV degradation, with 79.4 ± 4.8 % film weight loss, and subsequently resulted in 27.6 ± 2.2 % PHA content and a Y_P/S of 0.245 g-PHBV produced/g-PHBV film in a one pot process. Various techniques were employed, including differential scanning calorimetry (DSC), scanning electron microscopy (SEM), gel permeation chromatography (GPC) and X-ray diffraction (XRD). X-ray diffraction confirmed that orthorhombic α-form crystals with helical chain conformations and β-form crystals with planar zigzag conformations were significantly degraded. Biological recycling in a 10-L fermenter resulted in 70.3 ± 0.1 % PHBV film weight loss by the action of PHA depolymerase enzymes, leading to the formation of oligomers and monomers. Subsequently, <em>A. australica</em> DSM 1124 has assimilated and internalized these monomers as substrates for the biosynthesis of renewed PHBV, achieving a PHA content of 12.9 ± 0.1 %. This study demonstrates the potential of <em>A. australica</em> DSM 1124 for integrated microbial degradation and closed-loop recycling, offering a one-pot sustainable approach to mitigate PHA waste accumulation in ecosystems.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111420"},"PeriodicalIF":6.3,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143941877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Revealing global reaction mechanisms of polypropylene pyrolysis by reactive molecular dynamic simulation and reaction class prediction","authors":"Wenyao Li ,&nbsp;Mo Zheng ,&nbsp;Jiangang Li ,&nbsp;Chunxing Ren ,&nbsp;Xiaoxia Li","doi":"10.1016/j.polymdegradstab.2025.111419","DOIUrl":"10.1016/j.polymdegradstab.2025.111419","url":null,"abstract":"<div><div>Polypropylene (PP) pyrolysis offers a promising solution for transforming waste plastics into high-value chemicals. This work presents a combination approach of large-scale reactive molecular dynamic simulation (ReaxFF MD) and automatic reaction class prediction with machine learning method for investigating PP pyrolysis reaction mechanism. The reasonableness of the global reaction understanding on PP pyrolysis is supported by both the consistent representative pyrolyzate detections between experiments and simulation, as well as the same yield ranking of C₃H₆&gt;C₂H₄&gt;CH₄&gt;C₂H₆ at the initial decomposition dominant stage between experiments and simulations. The comprehension of the dynamic product profiles and their relevant reaction classes in polypropylene pyrolysis was revealed, which indicates that the major species distribution in PP pyrolysis detectable experimentally become explainable by the major reaction classes with the aid of automatic reaction classification approach of SRG-Reax, The dominant homolysis and <em>β</em>-scission reaction classes accounting for 30 %∼50 % in the initial PP pyrolysis corresponds to the rapid increasing yields of C₂H₄ and C₃H₆. The increasing reaction classes of ring opening &amp; recombination and chain cyclization as well as of intra-molecular H-shift, H detachment and inter-molecular H-abstraction should be responsible for the increasing ring formation of 5-membered, 6-membered, 7-membered rings, particularly for formation of aryl rings and naphthalene with temperature. The formation pathways of benzene, naphthalene and anthracene were unraveled. The mechanism understanding of PP pyrolysis demonstrate the potential of the combined simulation strategy of large-scale simulation and reaction class prediction in deepening understanding polymer degradation mechanism.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111419"},"PeriodicalIF":6.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143937524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic engineering of phosphaphenanthrene and ionic liquids for unlocking flame retardant multifunctional epoxy resin with high performances","authors":"Hao Wang ,&nbsp;Yadong Wang ,&nbsp;Jingjing Gao ,&nbsp;Zongmin Zhu ,&nbsp;Fei Xiao","doi":"10.1016/j.polymdegradstab.2025.111407","DOIUrl":"10.1016/j.polymdegradstab.2025.111407","url":null,"abstract":"<div><div>Herein, we presented a multifunctional epoxy resin (EP) composite prepared by the synergistic combination of DOPO and ionic liquids (ILs). The optimized EP-DOPO/ILs system demonstrated exceptional flame retardancy, with only 3 wt% of flame retardant (DOPO/ILs) added to achieve UL-94 V-0 grade for EP and a limiting oxygen index (LOI) of 33.4 %. Cone calorimeter test revealed 32.2 % and 26.7 % reductions in peak of heat release rate (pHRR) and total smoke production (TSP), respectively, compared to neat EP. Notably, the designed rigid-flexible epoxy network simultaneously enhanced tensile strength to 75.7 MPa (+15.7 %) and impact strength to 24.8 kJ m^-2 (+136.3 %), outperforming conventional EP thermosets. Furthermore, the EP composites retained 90 % visible light transmittance while exhibiting ultraviolet (UV) shielding efficiency and intrinsic fluorescence. This multi-component collaborative system provides an important experimental foundation for developing high-performance multifunctional polymeric materials.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111407"},"PeriodicalIF":6.3,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation into the flame retardant composite of natural rubber modified by crystalline trans-1,4-poly(butadiene-co-isoprene) block copolymer (TBIR)","authors":"Jingjing Zhao,&nbsp;Wenhui Wang,&nbsp;Chenguang Liu,&nbsp;Aihua He","doi":"10.1016/j.polymdegradstab.2025.111409","DOIUrl":"10.1016/j.polymdegradstab.2025.111409","url":null,"abstract":"<div><div>The flame retardancy of simple mechanical blending of trans-1,4-poly (butadiene-co-isoprene) block copolymer rubber (TBIR) with natural rubber (NR) and intumescent flame retardant (IFR) was investigated in this work. Compared with NR@IFR composite materials, the mechanical properties of NR/TBIR@IFR composite materials had been significantly improved. Especially, as the addition amount of TBIR increased, the 100 % tensile fatigue life was enhanced by 129.3 %, resolving the issue of mechanical property deterioration caused by additive flame retardants. The limit oxygen index (LOI) value of NR/TBIR@IFR was slightly improved and passed the UL-94 Vertical Burning test, fulfilling the requirement of self-extinguishing when removed from the fire. After the addition of TBIR, the peak heat release rate (PHRR) of the NR/TBIR@IFR system decreased from 295 kW/m² to 228.8 kW/m², and the total heat release rate (THR) dropped from 118.11 MJ/m² to 99.32 MJ/m². The flame retardant mechanism of the material after adding TBIR was analyzed by scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), and Raman spectroscopy. The research results showed that TBIR, by synergistically constructing a network structure with uniformly dispersed flame retardants, promoted the rapid formation of a continuous and dense carbon layer, effectively suppressing the combustion behavior of NR composites in both condensed and gas phases. The addition of TBIR not only improved the dispersion of flame retardants in the rubber matrix but also enhanced the flame retardant and mechanical properties of NR composite materials through interfacial synergistic effects. It provided a new environmentally friendly strategy for the preparation of flame retardant rubber materials for high-fatigue service environments.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111409"},"PeriodicalIF":6.3,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916920","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Blending recycled poly(lactic acid) (PLA) with elastane recovered from textile fibers: A sustainable valorization approach","authors":"M. Guastaferro ,&nbsp;V. Gigante ,&nbsp;L. Aliotta,&nbsp;A. Lazzeri,&nbsp;C. Nicolella","doi":"10.1016/j.polymdegradstab.2025.111406","DOIUrl":"10.1016/j.polymdegradstab.2025.111406","url":null,"abstract":"<div><div>The recycling of elastane from textile waste and its reintegration into polymeric matrices represents a possible pathway towards the achievement of a real circular economy in the textile industry. This study investigates the dissolution and recovery of elastane using environmentally friendly solvents and its subsequent blending with recycled poly(lactic acid) (PLA). Among tested solvents, dimethyl sulfoxide (DMSO) was the most effective, dissolving elastane at 120 °C with a solubility limit of 40.77 mg EL/g DMSO at 160 °C. Recovery via non-solvent induced phase separation (NIPS) allowed for 75–80 % solvent recovery, with residual DMSO reduced down to 5–6 % after drying.</div><div>Blends of recycled PLA with recovered elastane (5–15 wt.%) were produced via melt extrusion and evaluated for mechanical and thermal properties. Tensile tests revealed that adding elastane reduced the elastic modulus (from 3.52 GPa for PLA to 3.14 GPa for PLA+15) while increasing elongation at break. However, tensile strength declined due to poor interfacial adhesion between PLA and elastane. Dynamic mechanical thermal analysis (DMTA) confirmed elastane’s limited compatibility with PLA, showing separate glass transition temperatures at ∼60 °C (PLA) and ∼10 °C (elastane). Differential scanning calorimetry (DSC) indicated an increase in PLA crystallinity (from 19.5 % for PLA to 24.9 % for PLA+5), followed by stabilization around 20.7 % at higher elastane content. Scanning electron microscopy (SEM) revealed elastane dispersion within the PLA matrix, with droplet coalescence at higher elastane concentrations.</div><div>Despite its limited compatibility, this study highlights the potential for elastane to have a second life and demonstrates the feasibility of incorporating it into recycled PLA. It lays the foundation for future research on compatibilization strategies to improve mechanical performance.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111406"},"PeriodicalIF":6.3,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly Efficient and Green Multi-layer Coatings toward Enhancing Impact Resistance, Flame Retardancy and Thermal Insulation of Flexible Polyurethane Foam","authors":"Yan Liu ,&nbsp;Yanjun Zhu ,&nbsp;Jie Chen ,&nbsp;Yongqian Shi ,&nbsp;Yijie Zhang ,&nbsp;Libi Fu ,&nbsp;Longcheng Tang ,&nbsp;Jiefeng Gao ,&nbsp;Pingan Song ,&nbsp;Ting Qiu","doi":"10.1016/j.polymdegradstab.2025.111408","DOIUrl":"10.1016/j.polymdegradstab.2025.111408","url":null,"abstract":"<div><div>In extreme environments, the simultaneous presence of mechanical impact and fire hazards poses significant challenges for single flexible polyurethane foam (FPUF) protective materials. To address these limitations, we developed an innovative multilayer coating structure for FPUF using a simple dip-drying method. This structure comprises a polydopamine (PDA) base layer, an intermediate layer containing ammonium polyphosphate (APP), carboxymethyl chitosan (CMC), and halloysite nanotubes (HNT), and a top layer of polydimethylsiloxane (PDMS). The multilayer coating significantly enhanced the cushioning and flame-retardant properties of FPUF. At a coating loading of 35 wt.%, the FPUF@PDA/A-C-H/PDMS exhibited a compressive strength 3.52 times higher than pure FPUF, with only a 10.2 % decrease after 100 compression cycles. The composite effectively dissipated 95.7 % of an impact energy of 1.22 J, achieving a 97.1 % impact force dissipation rate and significantly extending cushioning duration. The FPUF@PDA/A-C-H/PDMS demonstrated self-extinguishing properties after 10 s of exposure to a butane flame, maintaining structural integrity. Moreover, its peak heat release rate was reduced by 68.8 %. The multilayer coating also improved hydrophobicity and thermal insulation. This multifunctional foam composite shows great potential for enhancing the performances of FPUF in hazardous environments, offering robust protection in extreme conditions.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111408"},"PeriodicalIF":6.3,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143927630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural regulation of TLCP and evaluation of its long-term heat resistance after solid-state polymerization","authors":"Boang He,&nbsp;Ke Ma,&nbsp;Hai Wan,&nbsp;Ying Wang,&nbsp;Yuhan Chen,&nbsp;Wei Liu,&nbsp;Yuan Liang,&nbsp;Wenbin Jin,&nbsp;Shuohan Huang,&nbsp;Yong He,&nbsp;Yanping Wang,&nbsp;Yumin Xia","doi":"10.1016/j.polymdegradstab.2025.111405","DOIUrl":"10.1016/j.polymdegradstab.2025.111405","url":null,"abstract":"<div><div>In this paper, a series of liquid crystal polyarylates were synthesized through a two-step method involving p-hydroxybenzoic acid (HBA), 4,4′-biphenyldiol (BP), terephthalic acid (TA), and isophthalic acid (IA). By adjusting the IA content (0–5 mol%), it was found that the introduction of IA significantly reduced the melting point (T_m) and crystallinity of the polyarylate while retaining its liquid crystallinity. When the IA content was 3 mol%, the polyarylate exhibited both optimized processability (T_m = 282.7 °C) and thermal stability (T_{5 %} &gt; 360 °C). The polymerization process was further optimized, and solid-state polymerization (SSP) was employed to increase the molecular weight. The results demonstrated that under solid-state polymerization conditions of either 270 °C for 6 h or 280 °C for 3 h, the polyarylate achieved a tensile strength exceeding 100 MPa and a softening temperature above 300 °C. Using the stepwise isothermal method (SIM), the long-term performance of the polyarylate at elevated temperatures was predicted. The solid-state polymerized polyarylate showed a significant reduction in strain under a constant stress at 170 °C over 10 years, confirming its long-term thermal stability. This study provides a novel strategy for the structural design and performance optimization of high-temperature-resistant engineering plastics.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111405"},"PeriodicalIF":6.3,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143924092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coarse-grained molecular dynamics simulations for oxidative aging of polymers under various O2 concentrations","authors":"Takato Ishida,&nbsp;Kazuya Haremaki,&nbsp;Yusuke Koide,&nbsp;Takashi Uneyama,&nbsp;Yuichi Masubuchi","doi":"10.1016/j.polymdegradstab.2025.111404","DOIUrl":"10.1016/j.polymdegradstab.2025.111404","url":null,"abstract":"<div><div>Modeling of polymer oxidative aging has been actively studied since the 1990s. Insights from these studies suggest that the transport of oxygen and radicals significantly influences aging heterogeneity, alongside chemical reaction kinetics. A recent simulation study [Ishida et al., <em>Macromolecules</em>, 56(21), 8474-8483, 2023] demonstrated that mesoscale heterogeneity arises when the H-abstraction reaction occurs faster than the relaxation times of polymer chains. In this study, the simulations were extended by modeling the rate of oxygen addition to polymer radicals (<span><math><msub><mi>k</mi><mn>2</mn></msub></math></span>) to reflect the effects of the O₂ concentration. In this work, polypropylene was chosen as a representative example of the target polymer. Three key aspects of oxidative aging behavior were found to be influenced by the O₂ addition rate: (i) reaction kinetics, (ii) the degree of heterogeneity, and (iii) amount of crosslinking. Namely, reducing O₂ concentration slows the conversion of polymer radicals into H-abstractable peroxyl radicals. This deceleration delays H-abstraction reactions, increases the number of polymer radicals, and promotes crosslinking reactions between two polymer radicals.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111404"},"PeriodicalIF":6.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanisms of enhanced durability in fluorinated polyimide based on POSS during electro-thermal aging","authors":"Shengrui Zhou,&nbsp;Li Zhang,&nbsp;Guan Wang,&nbsp;Bilal Iqbal Ayubi,&nbsp;Yiwei Wang","doi":"10.1016/j.polymdegradstab.2025.111402","DOIUrl":"10.1016/j.polymdegradstab.2025.111402","url":null,"abstract":"<div><div>Fluorinated polyimide (FPI) is widely used in high-frequency electronic devices and aerospace applications due to its outstanding insulation properties and chemical stability. However, its degradation mechanisms under electro-thermal aging remain poorly understood. Polyhedral oligomeric silsesquioxane (POSS), as a nanofiller, offers excellent thermal stability and flame retardancy, yet studies on the electro-thermal aging resistance and chemical transformation mechanisms of FPI/POSS nanocomposites are still limited. This study employs reactive molecular dynamics (ReaxFF-MD) simulations, combined with vibrational energy distribution analysis, to investigate the electro-thermal aging mechanisms of FPI/POSS nanocomposites. Additionally, density functional theory (DFT) is used to examine the electron transfer pathways of FPI molecules and the reactive site changes in POSS cages under electric fields. The results demonstrate that POSS achieves higher vibrational energy and structural stability under electro-thermal conditions, significantly raising the thermal decomposition threshold of FPI molecular chains. This reduces the release of volatile products and substantially enhances the electro-thermal aging resistance of the composites.</div></div>","PeriodicalId":406,"journal":{"name":"Polymer Degradation and Stability","volume":"239 ","pages":"Article 111402"},"PeriodicalIF":6.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143927629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}