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Dynamically cross-linked polyethylene cable insulation with superior wide-temperature-range dielectric stability and reprocessability 动态交联聚乙烯电缆绝缘,具有优越的宽温度范围介电稳定性和可再加工性
IF 4.5 2区 化学
Polymer Pub Date : 2026-03-06 Epub Date: 2026-01-31 DOI: 10.1016/j.polymer.2026.129685
Zhuolin Zhang , Haoran Sui , Zelin Zhang , Kaiying Chang , Youshen Wu , Jian Gao , Kai Yang , Peng Zhao , Benhong Ouyang , Jianying Li , Kangning Wu
{"title":"Dynamically cross-linked polyethylene cable insulation with superior wide-temperature-range dielectric stability and reprocessability","authors":"Zhuolin Zhang ,&nbsp;Haoran Sui ,&nbsp;Zelin Zhang ,&nbsp;Kaiying Chang ,&nbsp;Youshen Wu ,&nbsp;Jian Gao ,&nbsp;Kai Yang ,&nbsp;Peng Zhao ,&nbsp;Benhong Ouyang ,&nbsp;Jianying Li ,&nbsp;Kangning Wu","doi":"10.1016/j.polymer.2026.129685","DOIUrl":"10.1016/j.polymer.2026.129685","url":null,"abstract":"<div><div>High-voltage direct-current (HVDC) cables are essential for reliable and efficient transmission of large-scale renewable energy, while it has been an obstacle to develop high-performance insulating materials. Specifically, achieving simultaneous suppression of space charge and stabilization of conductivity across a wide temperature range has remained elusive. Here, we prepared dynamically cross-linked polyethylene (PE-SH<sub><em>x</em></sub>) samples through a byproduct-free thiol-anhydride click-like reaction to address this contradiction. Reversible thioester bonds construct a recyclable and repairable network, while functioning as thermally robust polar traps. The optimized PE-SH<sub>100</sub> sample exhibited comprehensive improvements over the state-of-art commercial XLPE. Its conductivity was reduced by 47% at 30 °C and 93% at 90 °C with a sufficiently lowed activation energy of 0.27 eV. In addition, space charge accumulation was suppressed by 94% and electric field distortion remained below 5% even at 90 °C. This study established dynamic thioester bonds as an effective molecular strategy to reconcile trap regulation with conductivity stabilization, thereby endowing next-generation HVDC cable insulation with superior electrical insulation, wide-temperature-range stability, and reprocessability.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"347 ","pages":"Article 129685"},"PeriodicalIF":4.5,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095659","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}
引用次数: 0
Enhancing the impact resistance and damage tolerance of 3D fibre-reinforced thermoplastic composites through tri-block copolymers matrix toughening 通过三嵌段共聚物基体增韧提高三维纤维增强热塑性复合材料的抗冲击性和损伤容限
IF 4.5 2区 化学
Polymer Pub Date : 2026-03-06 Epub Date: 2026-01-31 DOI: 10.1016/j.polymer.2026.129683
S.M. Hussnain , S.Z.H. Shah , M.Z. Hussain , P.S.M. Megat-Yusoff , Syed Zahid Hussain
{"title":"Enhancing the impact resistance and damage tolerance of 3D fibre-reinforced thermoplastic composites through tri-block copolymers matrix toughening","authors":"S.M. Hussnain ,&nbsp;S.Z.H. Shah ,&nbsp;M.Z. Hussain ,&nbsp;P.S.M. Megat-Yusoff ,&nbsp;Syed Zahid Hussain","doi":"10.1016/j.polymer.2026.129683","DOIUrl":"10.1016/j.polymer.2026.129683","url":null,"abstract":"<div><div>Enhancing the impact tolerance and damage resistance of fibre-reinforced composites (FRCs) is critical to ensure their durability and reliability in advanced structural applications. To address this, the present study investigates the effect of triblock copolymer (TBC) on the low-velocity impact (LVI) and compression-after-impact (CAI) performance of resin-infused 3D-FRCs. The thermoplastic resin (Elium®) was modified with TBC using different weight percentages, i.e., 10%, 15%, and 20%. Pristine and TBC-reinforced 3D-FRCs were subjected to three different impact energies, i.e., 30 J, 60 J, and 90 J, followed by CAI tests to assess their damage tolerance. The LVI results showed that the 15% TBC configuration exhibited superior impact response, with a 7.5% increase in peak force and an 11% reduction in deflection at 30 J, and up to 14% higher peak force at 60 J compared to the pristine 3D-FRCs. This enhancement is attributed to the uniform dispersion of TBC particles and controlled agglomeration, which improves stress distribution. The CAI tests revealed a significant improvement in post-impact compressive strength, with the 15% TBC specimens exhibiting the highest performance. Field emission scanning electron microscopy (FESEM) images revealed agglomerated and residual TBC particles within the modified composites, confirming their influence on fracture behaviour. SEM images further depict a transition from brittle interlaminar and intralaminar cracking in pristine specimens to a relatively ductile plastic kinking and kink-band formation in TBC-reinforced composites, demonstrating enhanced matrix ductility and energy absorption capability. This study demonstrates the potential of TBC for improving matrix toughness and guiding the development of impact-tolerant structural composites.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"347 ","pages":"Article 129683"},"PeriodicalIF":4.5,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095660","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}
引用次数: 0
A chemically robust, compatible, and low-swelling ionomer blend for medium-temperature proton conduction: old dogs with a new trick 一种化学上稳定、兼容、低膨胀的离子混合物,用于中温质子传导:老狗有了新把戏
IF 4.5 2区 化学
Polymer Pub Date : 2026-03-06 Epub Date: 2026-02-02 DOI: 10.1016/j.polymer.2026.129690
Zhuowei Qu, Zihan Xia, Bo Zhang, Xiaohan Li, Su Zhang, Chengzhi Cui, Peng Sun, Zhongfang Li
{"title":"A chemically robust, compatible, and low-swelling ionomer blend for medium-temperature proton conduction: old dogs with a new trick","authors":"Zhuowei Qu,&nbsp;Zihan Xia,&nbsp;Bo Zhang,&nbsp;Xiaohan Li,&nbsp;Su Zhang,&nbsp;Chengzhi Cui,&nbsp;Peng Sun,&nbsp;Zhongfang Li","doi":"10.1016/j.polymer.2026.129690","DOIUrl":"10.1016/j.polymer.2026.129690","url":null,"abstract":"<div><div>Medium-temperature proton exchange membranes (PEMs) with high proton conductivity and low fuel crossover have received ever-growing research interest. Herein, a novel ionomer blend was designed and developed to address the issues that traditional PEMs are facing with: low membrane selectivity, trade-off between proton conductivity and mechanical strength, chemical degradation, phase-separation, and over-swelling. A poly(1,2-benzimidazole) (PBESK) is blended with a sulfonated polymer (SPEEK) to achieve good compatibility ascribed to acid-base interactions, π-π interactions, and hydrogen bonds. This membrane exhibits better mechanical strength, lower swelling ratio, and better durability of proton conductivity than SPEEK while displaying higher chemical stability than both PBESK and SPEEK. At 180 °C, the proton conductivity of the PBESK/SPEEK(60%) membrane reaches 0.147 S cm<sup>−1</sup>, 0.053 S cm<sup>−1</sup>, and 0.00583 S cm<sup>−1</sup> at 100% RH, 50% RH, and 0% RH, respectively. This membrane also shows low methanol permeability, low H<sub>2</sub>/O<sub>2</sub> permeance, and thus high membrane selectivity. This effective design paves the way for the development of next-generation medium-temperature PEMs.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"347 ","pages":"Article 129690"},"PeriodicalIF":4.5,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146098191","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}
引用次数: 0
CO2-assisted synthesis of bio-based furandicarboxylic acid for high-performance poly(ether-ester) adhesives 高性能聚醚酯胶粘剂用生物基呋喃二甲酸的co2辅助合成
IF 4.5 2区 化学
Polymer Pub Date : 2026-03-06 Epub Date: 2026-02-03 DOI: 10.1016/j.polymer.2026.129691
Yingying Liu, Lin Peng, Lu Li, Rui Wang
{"title":"CO2-assisted synthesis of bio-based furandicarboxylic acid for high-performance poly(ether-ester) adhesives","authors":"Yingying Liu,&nbsp;Lin Peng,&nbsp;Lu Li,&nbsp;Rui Wang","doi":"10.1016/j.polymer.2026.129691","DOIUrl":"10.1016/j.polymer.2026.129691","url":null,"abstract":"<div><div>A novel, fully bio-based poly(ether-ester) (PEE) was synthesized by means of a one-pot, two-component melt polycondensation employing renewable furandicarboxylic acid (FDCA) and 1,3-propanediol. Notably, a practical and scaled-up process for converting furfural to FDCA was demonstrated via K<sub>2</sub>CO<sub>3</sub>-promoted C–H carboxylation of furoate in a paraffin medium, achieving a yield of 77%. The novel poly(ether-ester) displayed excellent ductility and gas barrier properties, in addition to adhesiveness, arising from the combined effect of the FDCA and ether linkage building blocks. A comparative study was conducted on the adhesive properties of this series of poly(ether-ester)s and a commercial high-barrier encapsulation material ethylene-vinyl acetate (EVA). In particular, the PEE exhibited faster bonding with the glass substrate at a lower temperature (85 °C vs. 140 °C for EVA), achieving a maximum bonding strength of 10.8 MPa, whereas that of EVA was 7.3 MPa. Furthermore, the PEE demonstrated significantly superior retention of its adhesive properties upon exposure to various environmental conditions, including acids, alkalis, seawater, and organic solvents. The PEE film also exhibited water vapor barrier property comparable to that of EVA. We anticipate that this new family of bio-based materials will substantially enrich the structural diversity of FDCA-based copolyesters and establish their applicability in advanced encapsulation technologies.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"347 ","pages":"Article 129691"},"PeriodicalIF":4.5,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146101793","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}
引用次数: 0
Overcoming the transverse strength loss of Uniaxially stretched PLA films: The role of rigid amorphous fraction in achieving high performance 克服单轴拉伸PLA薄膜的横向强度损失:刚性非晶组分在实现高性能中的作用
IF 4.5 2区 化学
Polymer Pub Date : 2026-03-06 Epub Date: 2026-02-05 DOI: 10.1016/j.polymer.2026.129705
Wu Guo, Enhui Liu, Zhaohui Chen, Li Li
{"title":"Overcoming the transverse strength loss of Uniaxially stretched PLA films: The role of rigid amorphous fraction in achieving high performance","authors":"Wu Guo,&nbsp;Enhui Liu,&nbsp;Zhaohui Chen,&nbsp;Li Li","doi":"10.1016/j.polymer.2026.129705","DOIUrl":"10.1016/j.polymer.2026.129705","url":null,"abstract":"<div><div>Conventional uniaxial hot stretching of polylactic acid (PLA) films usually leads to the loss of transverse direction (TD) strength, due to the orientation of molecular chains along the machine direction (MD). To address this issue, this study proposed a novel and industrially feasible strategy, i.e., combining melt casting and uniaxial hot stretching, and utilizing the critical role of the rigid amorphous fraction (RAF) in governing the crystal evolution and macroscopic properties during hot stretching, to produce high-performance PLA films without sacrificing the TD strength. Compared with hot-pressed precursors, the melt casting precursors possessed higher RAF, which could promote strain-induced crystallization more quickly, forming a dense PLA crystal network at low stretching ratios (SR ≤ 3). This physical cross-linked network effectively restricted the movement of amorphous chains, particularly along TD, and induced higher stress during the strain hardening stage, thereby facilitating the formation of highly oriented crystals and smaller-sized nanocrystals (denser crystal network structure). Consequently, even at SR of 5, the TD strength of PLA films remained undiminished (55.9 MPa), and the tensile and tear strength in MD reached 144 MPa, 225.6 N/mm, respectively. More importantly, these films exhibited excellent puncture strength (275 N/mm), high transparency (90% at 600 nm), heat resistance (1980 MPa at 80 °C), and superior oxygen barrier properties (1.9 × 10<sup>−15</sup> cm<sup>3</sup> cm/(cm<sup>2</sup>·s·Pa)). This work would provide a theoretical and practical pathway for advanced PLA film production.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"347 ","pages":"Article 129705"},"PeriodicalIF":4.5,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116124","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}
引用次数: 0
Advancing in-mold electronics: Thermoformable inks for printed alternate-current electroluminescent devices 先进的模内电子学:印刷交流电致发光器件的热成型油墨
IF 4.5 2区 化学
Polymer Pub Date : 2026-03-06 Epub Date: 2026-02-02 DOI: 10.1016/j.polymer.2026.129662
Rita Polícia , Lia Campos-Arias , Nikola Peřinka , Daniela Maria Correia , José Luis Vilas-Vilela , Senentxu Lanceros-Méndez
{"title":"Advancing in-mold electronics: Thermoformable inks for printed alternate-current electroluminescent devices","authors":"Rita Polícia ,&nbsp;Lia Campos-Arias ,&nbsp;Nikola Peřinka ,&nbsp;Daniela Maria Correia ,&nbsp;José Luis Vilas-Vilela ,&nbsp;Senentxu Lanceros-Méndez","doi":"10.1016/j.polymer.2026.129662","DOIUrl":"10.1016/j.polymer.2026.129662","url":null,"abstract":"<div><div>In-mold electronics (IME) is attracting increasing attention in several industrial sectors, including automotive, medical, consumer electronics, and aerospace, due to the present demands on enhancing human–machine interactions. To achieve the new technological paradigm, devices must adopt more ergonomic and attractive shapes, in particular, 3D geometries. In this context, this work presents novel electroluminescent (EL) inks to be integrated into alternate-current EL (ACEL) devices able to be printed and thermoformed into a 3D shape and provide efficient light emission.</div><div>The EL inks are based on styrene-ethylene-butylene-styrene (SEBS) and polyvinyl alcohol (PVA) polymers, each of them incorporating 60 % wt. of copper-doped zinc sulfide (ZnS:Cu) microparticles. The composites display a compact morphology characterized by a uniform distribution of ZnS:Cu particles. They exhibit thermal properties suitable for thermoforming, chemical stability, and favorable mechanical properties at room temperature, with a Young's modulus of 5.7 MPa at 180 % elongation at break for SEBS and 2039 MPa at 1.8 % elongation at break for PVA. Additionally, the composites possess excellent dielectric properties, with dielectric constants of 6 and 90 at 1 kHz for SEBS and PVA, respectively. The inks viscosities are in the range of 400–800 mPa s for PVA/ZnS:Cu and 350–400 mPa s for SEBS/ZnS:Cu. Thermoformed PVA-based ACEL devices exhibited luminance reductions of 18 %, 25 %, and 26 % under deformations of 6 %, 15 %, and 40 %, respectively, and thermoformed SEBS-based ACEL devices demonstrated luminance decreases of 15 % under 6 % deformation, and 22 % under both 15 % and 40 % deformation.</div><div>The study demonstrates that the developed inks are suitable for their intended application, and the devices remain functional under significant deformation levels. These findings underscore a cost-effective and straightforward path for fabricating lighting solutions that are compatible with integration into printed electronic circuits and in-mold electronics (IME) processing.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"347 ","pages":"Article 129662"},"PeriodicalIF":4.5,"publicationDate":"2026-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146110996","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}
引用次数: 0
Molecular interactions between ethylene-vinyl alcohol copolymers and functionalized tie layers for recyclable multilayer films 乙烯-乙烯醇共聚物与功能化Tie层之间的分子相互作用
IF 4.5 2区 化学
Polymer Pub Date : 2026-02-20 Epub Date: 2026-01-22 DOI: 10.1016/j.polymer.2026.129644
M.T. Expósito , V. Souza-Egipsy , B. Paredes , J. Ramos , J.F. Vega
{"title":"Molecular interactions between ethylene-vinyl alcohol copolymers and functionalized tie layers for recyclable multilayer films","authors":"M.T. Expósito ,&nbsp;V. Souza-Egipsy ,&nbsp;B. Paredes ,&nbsp;J. Ramos ,&nbsp;J.F. Vega","doi":"10.1016/j.polymer.2026.129644","DOIUrl":"10.1016/j.polymer.2026.129644","url":null,"abstract":"<div><div>The increasing demand for recyclable multilayer polymer packaging requires a deeper understanding of the interactions between barrier and tie-layer materials to enable circular design strategies. In this study, the compatibility between polyethylene–co–vinyl alcohol (EVOH) copolymer and typical tie-layer copolymers—polyethylene–co–ethyl acrylate, polyethylene–co–vinyl acetate, and a polyethylene–co–methacrylic acid ionomer partially neutralized with sodium—was investigated. EVOH crystalline nanoaggregates were prepared and embedded in the different matrices to evaluate physical and thermal interactions. Differential Scanning Calorimetry revealed a pronounced melting temperature depression of EVOH crystals when blended with functionalized matrices, particularly with the ionomer, indicating strong intermolecular interactions. In contrast, non-interacting systems retained their original melting behaviour, confirming the absence of chemical affinity. Fourier Transform Infrared Spectroscopy further corroborated these findings, showing hydrogen-bonding interactions between the hydroxyl groups of EVOH and the carbonyl or carboxylate groups of the functionalized tie layers. The combination of the results obtained from the different techniques provides a comprehensive understanding of the molecular mechanisms governing compatibility, offering valuable insights for the eco-design and recyclability enhancement of polyolefin-based multilayer packaging materials.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"346 ","pages":"Article 129644"},"PeriodicalIF":4.5,"publicationDate":"2026-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033794","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}
引用次数: 0
Development of highly transparent cross-linked networked waterborne polyurethane films with improved mechanical strength and hydrophobicity by thiol click reaction 利用巯基咔嗒反应制备高透明交联网络型水性聚氨酯膜,提高其机械强度和疏水性
IF 4.5 2区 化学
Polymer Pub Date : 2026-02-20 Epub Date: 2026-01-20 DOI: 10.1016/j.polymer.2026.129617
Yiyi Xu , Hua Xin , Xinjian Wang , Yue Chen , Xinqi Li , Bo Gao , Xiaojuan Lai
{"title":"Development of highly transparent cross-linked networked waterborne polyurethane films with improved mechanical strength and hydrophobicity by thiol click reaction","authors":"Yiyi Xu ,&nbsp;Hua Xin ,&nbsp;Xinjian Wang ,&nbsp;Yue Chen ,&nbsp;Xinqi Li ,&nbsp;Bo Gao ,&nbsp;Xiaojuan Lai","doi":"10.1016/j.polymer.2026.129617","DOIUrl":"10.1016/j.polymer.2026.129617","url":null,"abstract":"<div><div>Conventional waterborne polyurethanes characteristically possess a linear structure, a property that invariably leads to deficiencies in both water resistance and mechanical strength. In this study, two novel functional monomer crosslinkers, eugenol-based polyol (EUMP) and bis(mercapto)fluorine-containing binary chain extender (PTFA), were synthesised through a thiol-ene click reaction. Crosslinked network waterborne polyurethane (EUMP WPU) with different dosage of crosslinking agent EUMP was prepared by self emulsification method. The test results showed that when the amount of EUMP was 4 wt%, the contact angle of EUMP-WPU reached a maximum of 85.6° and the tensile strength reached a maximum of 23.61 MPa. Therefore, the optimum amount of cross-linking agent EUMP was selected as 4 wt%, and different amounts of dimercapto fluorinated binary chain extender PTFA were introduced into the system using the thiol-isocyanate click reaction to obtain fluorinated waterborne polyurethane (EUMP-FWPU). The EUMP-FWPU samples were characterised through a series of tests and the results showed that the mechanical strength, adhesion and hydrophobicity of the latex film were significantly improved. It was observed that when the PTFA dosage was 8 wt%, the tensile strength was 30.34 MPa, and the contact angle was 117°. The film transmittance rate is above 92 %, which can be applied to mobile phone screen protector in hydrophobic and can protect the screen without affecting the sensitivity of normal operation of the mobile phone screen.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"346 ","pages":"Article 129617"},"PeriodicalIF":4.5,"publicationDate":"2026-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146014726","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}
引用次数: 0
Molecular descriptor-driven machine learning for predicting polymer glass transition temperature 分子描述符驱动的机器学习预测聚合物玻璃化转变温度
IF 4.5 2区 化学
Polymer Pub Date : 2026-02-20 Epub Date: 2026-01-29 DOI: 10.1016/j.polymer.2026.129612
Yan Zhou , Yue Zhao , Jiayi Li , Chunfa Miao , Hongru Zhang , Jianguang Qi , Yinglong Wang , Huairong Zhou , Yufeng Hu
{"title":"Molecular descriptor-driven machine learning for predicting polymer glass transition temperature","authors":"Yan Zhou ,&nbsp;Yue Zhao ,&nbsp;Jiayi Li ,&nbsp;Chunfa Miao ,&nbsp;Hongru Zhang ,&nbsp;Jianguang Qi ,&nbsp;Yinglong Wang ,&nbsp;Huairong Zhou ,&nbsp;Yufeng Hu","doi":"10.1016/j.polymer.2026.129612","DOIUrl":"10.1016/j.polymer.2026.129612","url":null,"abstract":"<div><div>Understanding and controlling the thermal-mechanical properties of polymers hinges on accurately predicting the glass transition temperature (T<sub>g</sub>). In this study, we employed three machine learning models – Deep Neural Network (DNN), Random Forest (RF), and Support Vector Machine (SVM) – to forecast the T<sub>g</sub> of polymers. Two distinct approaches, Molecular Descriptor (MD) and Molecular Fingerprint (MF), were utilized to characterize polymer features. Statistical indicators of model performance revealed that the DNN-MD model exhibited optimal results on the test set, boasting an R<sup>2</sup> of 0.913 and an RMSE of 25.582. Moreover, within the RF and SVM models, using MD as input for polymer features displayed superior performance. The SHAP analysis identified key features associated with high and low T<sub>g</sub> values, offering robust guidance for designing novel polymer structures. This approach holds promise for accelerating the development of new materials, providing crucial support for advancements in polymer applications.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"346 ","pages":"Article 129612"},"PeriodicalIF":4.5,"publicationDate":"2026-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146071890","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}
引用次数: 0
From rigidity to flexibility: High-strength PMIA fibers with aromatic ether structures 从刚性到柔韧性:具有芳香醚结构的高强度PMIA纤维
IF 4.5 2区 化学
Polymer Pub Date : 2026-02-20 Epub Date: 2026-01-25 DOI: 10.1016/j.polymer.2026.129626
Juan Chen , Zheng Zhang , Seeram Ramakrishna , Zhonglin Xiang , Changhai Xu , Jinmei Du
{"title":"From rigidity to flexibility: High-strength PMIA fibers with aromatic ether structures","authors":"Juan Chen ,&nbsp;Zheng Zhang ,&nbsp;Seeram Ramakrishna ,&nbsp;Zhonglin Xiang ,&nbsp;Changhai Xu ,&nbsp;Jinmei Du","doi":"10.1016/j.polymer.2026.129626","DOIUrl":"10.1016/j.polymer.2026.129626","url":null,"abstract":"<div><div>Meta aromatic polyamide (PMIA) has high rigidity and low flexibility due to the rigid molecular structure and highly oriented hydrogen bonding interactions, which will make the stress concentration and damage of PMIA by force. It is necessary to improve flexibility while maintaining mechanical strength. The influence of different aromatic ether structure on properties of PMIA and the evolution mechanism of molecular chain conformation in flexible PMIA fibers during the drawing process are not clear. This work obtained two flexible PMIA fibers (PMAB-PMIA and ODA-PMIA) by introducing 1,3-bis (4-aminophenoxy) benzene (PMAB) and 4,4′-diaminodiphenyl ether (ODA) into molecular chain. The properties of PMIA with different aromatic ether structures and microscale analysis during drawing were explored. The flexible PMIA maintained excellent mechanical properties, thermal stability, and flame retardancy. The tensile strength of pristine PMIA, PMAB-PMIA and ODA-PMIA was 2.68, 2.55 and 2.64 cN/dtex, respectively, meaning that flexible PMIA fibers kept high tensile strength. Compared with pristine PMIA, the elongation at break of PMAB-PMIA and ODA-PMIA increased by 30.1 % and 16.4 %. Their maximum number of twists also increased from 177 to 237 and 258 twists/10 cm. The increased elongation at break and torsional resistance proved that flexibility of modified PMIA elevated. The molecular dynamics (MD) simulations indicated that the molecular chains of aromatic-ether PMIA had more folded conformations, thus offering superior flexibility and stress dissipation capabilities at microstructural level. This work systematically explored high-strength and flexible PMIA fibers based on aromatic ether, which is expected to guide the material design of future functional fibers.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"346 ","pages":"Article 129626"},"PeriodicalIF":4.5,"publicationDate":"2026-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146047948","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}
引用次数: 0
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