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Modeling Osmotic Deswelling of Composite Hydrogels with Finite Element Analysis 复合水凝胶渗透溶胀的有限元模拟
IF 4.6 2区 化学
Polymer Pub Date : 2025-06-01 DOI: 10.1016/j.polymer.2025.128634
Julian A. Rey, Ferenc Horkay, Peter J. Basser
{"title":"Modeling Osmotic Deswelling of Composite Hydrogels with Finite Element Analysis","authors":"Julian A. Rey, Ferenc Horkay, Peter J. Basser","doi":"10.1016/j.polymer.2025.128634","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128634","url":null,"abstract":"Pure hydrogels are generally soft materials, but strong, resilient hydrogels are needed for load-bearing biomedical applications. By mimicking the composition of cartilage, composite hydrogels consisting of poly(acrylic acid) microgel particles which swell within a poly(vinyl alcohol) matrix resist osmotic deswelling more effectively than their component gels and acquire enhanced load-bearing potential. Consequently, their osmotic deswelling behavior is not satisfactorily described by a single relation between elastic free energy and stretch with material property values between those of its components. In this study, continuum mechanical models of the composite gel were developed to predict its osmotic deswelling behavior using the finite element method. The models demonstrate how the composite gel is strengthened by internal stresses in its components which preexist the application of osmotic loads (i.e., prestress). One continuum model based on mixture theory assumes both gel components occupy all locations in the composite and are governed by the same hyperelastic form, but with material properties and stretches which differ from each other and the composite overall. By accounting for counter-stressed gel components, the mixture model accurately predicted osmotic deswelling in composite gels containing PVA with two different cross-link densities. A Fung hyperelastic material model fit indicated that lowering PVA cross-link density decreased its tendency to stiffen under strain. A second continuum model, in which the composite was modeled as swollen spherical PAA inclusions in a PVA background material, corroborated the state of opposing stresses in the mixture model, but suggests the two components may swell differently within the composite gel.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"6 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144188919","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 Piecewise Vulcanization Kinetic Model of Rubber Composites and Application in Curing Process of Suspension Rubber Bearings 橡胶复合材料分段硫化动力学模型及其在悬架橡胶支座硫化过程中的应用
IF 4.6 2区 化学
Polymer Pub Date : 2025-06-01 DOI: 10.1016/j.polymer.2025.128608
Meimei Chen, Xingguo Zhao, Ke He, Aiping Li, Yong Zhou, Ming Tian, Fanzhu Li
{"title":"A Piecewise Vulcanization Kinetic Model of Rubber Composites and Application in Curing Process of Suspension Rubber Bearings","authors":"Meimei Chen, Xingguo Zhao, Ke He, Aiping Li, Yong Zhou, Ming Tian, Fanzhu Li","doi":"10.1016/j.polymer.2025.128608","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128608","url":null,"abstract":"Natural rubber composites are widely used in shock absorption due to large deformation and excellent damping properties. Suspension rubber bearing for heavy-duty truck is one important example of these applications. Vulcanization is the key and final procedure of rubber production, exerting a pivotal influence on product performance. The reversion problem that may occur during the high-temperature vulcanization process is extremely critical to the long-term durability of the bearings. This work aims to accurately predict the degree of curing (DOC) and achieve uniform and optimum vulcanization of thick rubber products. In this study, we introduced a novel piecewise vulcanization kinetic model to predict the DOC variations. The model was implemented and verified in the vulcanization simulation process of suspension rubber bearings for heavy-duty trucks. By changing the vulcanization time and the rubber curing kinetic curve, the whole DOC distribution could be optimized in a satisfactory vulcanization state without under-vulcanization or over-vulcanization. The test and simulation results show that the curing time is reduced by 25.0% compared with that of the original scheme, the tensile strength and fatigue life of the suspension rubber bearings with the optimized curing process are increased by 9.9% and 114.9%, respectively.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"13 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144188918","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
Preparation of durable superhydrophobic coatings using fluorinated isocyanate-modified organic polysilazane as the main coating material: mechanism and self-cleaning application research 以氟化异氰酸酯改性有机聚硅氮烷为主要涂层材料制备耐久超疏水涂料:机理及自洁应用研究
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-31 DOI: 10.1016/j.polymer.2025.128571
Qi Wang, Mengyuan Peng, Xiaopeng Wang, Min Sha, Ding Zhang, Biao Jiang
{"title":"Preparation of durable superhydrophobic coatings using fluorinated isocyanate-modified organic polysilazane as the main coating material: mechanism and self-cleaning application research","authors":"Qi Wang, Mengyuan Peng, Xiaopeng Wang, Min Sha, Ding Zhang, Biao Jiang","doi":"10.1016/j.polymer.2025.128571","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128571","url":null,"abstract":"The excellent hydrophobicity of superhydrophobic coatings endows the substrate with various excellent properties. However, the fragile connection between the coating and the substrate makes the durability of the superhydrophobic coating tested. In this study, perfluorohexyl ethanol and 1,6-hexane diisocyanate were reacted to generate isocyanates with fluorocarbon chains, which were then synthesized with an organic polysilazane (OPSZ) coating material with universal anchoring characteristics for various substrates through a one-step synthesis method to obtain fluorine-modified OPSZ and a highly hydrophobic coating with a water contact angle of 124° was prepared by simple spraying. The wiping resistance of the coating to butanone was tested and found that the fluorine-modified OPSZ coating had a significant increase in the number of butanone wipes compared to the control group, from 125 to 350. Using fluorine-modified OPSZ as the main coating material, a superhydrophobic coating was prepared by adding micro-nano SiO<sub>2</sub> using a simple spraying method. The superhydrophobic coating remained superhydrophobic after being subjected to a 320 cm sandpaper rubbing test and had good stability in various pH solutions. This work provides a convenient method for preparing superhydrophobic composite coatings with excellent mechanical stability, acid and alkali resistance, and heat resistance, which has potential applications in anti-fouling and anti-corrosion.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"14 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144188989","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
Synergistic action of amphiphilic polyacrylate-based sizing and β-nucleating agents for enhancing mechanical properties of short glass fiber reinforced polypropylene composites 两亲性聚丙烯酸酯基施胶剂和β成核剂对提高短玻纤增强聚丙烯复合材料力学性能的协同作用
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-31 DOI: 10.1016/j.polymer.2025.128628
Innocent Toendepi, Hongbo Dai, Wei Liu, Yaofeng Zhu
{"title":"Synergistic action of amphiphilic polyacrylate-based sizing and β-nucleating agents for enhancing mechanical properties of short glass fiber reinforced polypropylene composites","authors":"Innocent Toendepi, Hongbo Dai, Wei Liu, Yaofeng Zhu","doi":"10.1016/j.polymer.2025.128628","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128628","url":null,"abstract":"The attainment of both high mechanical strength and good toughness has always been the ultimate goal for developing viable fiber-reinforced thermoplastic composites for critical structural applications in the aerospace and automobile fields. Most sized glass fiber reinforced polypropylene composites exhibit higher tensile and flexural strengths but lower impact resistance than commercial glass fiber reinforced polypropylene composites, which limits their future utilization in industry. In this work, an amphiphilic sizing agent as the interfacial modifier and a β-nucleating agent as the added toughener were simultaneously used to improve the mechanical properties of short glass fiber reinforced polypropylene composites and addition of a β-nucleating agent improved the impact resistance of the sized glass fiber reinforced polypropylene composite without degrading the tensile and flexural strengths. Additionally, polarized light microscope and differential scanning calorimetry demonstrated that the improved mechanical properties of the composites were attributed to the improved compatibility between glass fibers and polypropylene and the enhanced crystallization ability of polypropylene. Thus, the proposed method provides a way to balance the strength and toughness of composites.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"49 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144189000","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
Short chain branched polyethylene polyester segmented copolymers 短链支链聚乙烯聚酯节段共聚物
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-30 DOI: 10.1016/j.polymer.2025.128572
Charlotte M. Barker, Timothy P. Chase, Rui Zhang, Timothy E. Long
{"title":"Short chain branched polyethylene polyester segmented copolymers","authors":"Charlotte M. Barker, Timothy P. Chase, Rui Zhang, Timothy E. Long","doi":"10.1016/j.polymer.2025.128572","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128572","url":null,"abstract":"This work presents the synthesis and characterization of poly(ethylene-<em>co</em>-1,2-octylene succinate) segmented polyethylene (PE) block copolymers synthesized via melt polycondensation of hydroxy-telechelic polyethylene (HTPE) macromonomers with 1,2-octane diol (12OD) and dimethyl succinate (DMS). Copolymers were synthesized with varying PE content (90, 75, 60, 50, and 25 wt.%) and characterized for thermal, mechanical, and morphological properties. The introduction of 12OD disrupted crystallinity and effectively enhanced elongation at break, particularly for segmented copolymers with higher PE content. Increasing PE content improved mechanical properties, while higher polyester content reduced crystallinity and promoted the emergence of distinct polyester thermal transitions. These copolymers offer potential for chemical recycling with polyester segments serving as depolymerization points, thus contributing to sustainable material solutions and end of life (EOL) recycling strategies.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"14 1","pages":"128572"},"PeriodicalIF":4.6,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144183801","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
Porous lattice formation through coiled coil peptide nanoparticle assembly driven by natural and non-natural hydrophobic side chains 通过由天然和非天然疏水侧链驱动的螺旋状肽纳米粒子组装形成多孔晶格
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-30 DOI: 10.1016/j.polymer.2025.128616
Amanda McCahill, Albree R. Weisen, Tianren Zhang, Haoyuan Jia, Zihan Zhang, Jeffery G. Saven, Christopher J. Kloxin, Darrin J. Pochan
{"title":"Porous lattice formation through coiled coil peptide nanoparticle assembly driven by natural and non-natural hydrophobic side chains","authors":"Amanda McCahill, Albree R. Weisen, Tianren Zhang, Haoyuan Jia, Zihan Zhang, Jeffery G. Saven, Christopher J. Kloxin, Darrin J. Pochan","doi":"10.1016/j.polymer.2025.128616","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128616","url":null,"abstract":"Peptide coiled coil particles, termed ‘bundlemers’, were modified with different hydrophobic side chains strategically positioned at identical locations in their primary sequences, ensuring consistent spatial display on the particle surfaces. Through hydrophobically driven interparticle interactions, these modified bundlemers self-assembled into ordered, crystalline-like porous lattices in aqueous solution. Specifically, both non-natural (furan, alkyne) and natural (phenylalanine, tyrosine, tryptophan) hydrophobic amino acid side chains were studied. While sharing a common parent peptide amino acid sequence and identical modification sites, the new peptide sequences physically assembled into porous lattices that were distinctly different from previously reported lattice assemblies that utilized alloc-functionalized bundlemers. Some of the new lattices displayed identical nanostructure despite having different hydrophobic side chains, while others displayed unique lattice structures, highlighting the subtlety in the interactions between the different hydrophobic side chains. The new porous lattices were characterized using transmission electron microscopy (TEM), cryogenic TEM (cryoTEM), small angle x-ray scattering (SAXS), and computational modeling, including simulations of both lattice structures and dimers of bundlemers. Overall, these results clearly demonstrate the versatility and precision achievable in nanoporous materials design by strategically selecting hydrophobic groups displayed on coiled-coiled bundlemer particles.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"37 1","pages":"128616"},"PeriodicalIF":4.6,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144183844","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
Controlled Synthesis, Characterization and Computational Studies of Novel Homo and Random Co-Polymers from Carbazolovinylene and Phenothiazinovinylene via ROMP Chemistry 新型咔唑炔和吩噻嗪炔共聚物的ROMP化学控制合成、表征和计算研究
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-29 DOI: 10.1016/j.polymer.2025.128590
Mohamed E. Abdu, Mohammed F. Radwan, Doaa A. Elsayed, Wesam S. Shehab, Wael A. Zordok, Mahmoud Z. Basyouni, Andrew M. Spring
{"title":"Controlled Synthesis, Characterization and Computational Studies of Novel Homo and Random Co-Polymers from Carbazolovinylene and Phenothiazinovinylene via ROMP Chemistry","authors":"Mohamed E. Abdu, Mohammed F. Radwan, Doaa A. Elsayed, Wesam S. Shehab, Wael A. Zordok, Mahmoud Z. Basyouni, Andrew M. Spring","doi":"10.1016/j.polymer.2025.128590","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128590","url":null,"abstract":"Using living ROMP with G-2<sup>nd</sup> generation, we synthesized and reported novel homopolymers (<strong>P</strong><sub><strong>1</strong></sub><strong>–P</strong><sub><strong>4</strong></sub>) and a random copolymer (<strong>P</strong><sub><strong>5</strong></sub>). Essential monomers, carbazolovinylene (<strong>M</strong><sub><strong>1</strong></sub>) and phenothiazinovinylene (<strong>M</strong><sub><strong>2</strong></sub>), containing octyl chains, were prepared <em>via</em> McMurry dimerization. <strong>M</strong><sub><strong>1</strong></sub> polymerized under variety of circumstances, whereas <strong>M</strong><sub><strong>2</strong></sub> necessitated more stringent environmental controls due to its lower ring strain. GPC analysis revealed <em>M</em><sub><em>n</em></sub> values of 8.78 - 20.46 kDa and <em>M</em><sub><em>w</em></sub> between 9.38 and 20.46 kDa, indicating controlled polymerization PDIs of 1.06–1.25. UV-Vis spectra indicated <em>λ</em><sub><em>max</em></sub> values of 327.6–417.5 nm in DCM, with optical band gaps (<em>E</em><sub><em>g</em></sub><sup><em>op</em></sup>) between 2.52 and 2.90 eV. Using DFT and TD-DFT methodologies investigated that <strong>P</strong><sub><strong>4</strong></sub> is absolute soft according to (σ = 3.546 eV), while <strong>P</strong><sub><strong>5</strong></sub> is treated as hard compounds (σ = 0.639 eV) and These findings demonstrate the effective synthesis of well-defined polymers, providing the groundwork for future research in advanced material applications.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"129 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144177340","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
Advanced 4D Printing of Flax Fiber-Reinforced PLA/PETG Blends for Enhanced Mechanical, Thermal, and Shape Memory Properties 先进的4D打印亚麻纤维增强PLA/PETG共混物增强机械,热和形状记忆性能
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-29 DOI: 10.1016/j.polymer.2025.128587
Karima Bouguermouh, Mohamed Habibi, Luc Laperrière, Daniel Monplaisir, Zeshi Li, Yasmine Abdin
{"title":"Advanced 4D Printing of Flax Fiber-Reinforced PLA/PETG Blends for Enhanced Mechanical, Thermal, and Shape Memory Properties","authors":"Karima Bouguermouh, Mohamed Habibi, Luc Laperrière, Daniel Monplaisir, Zeshi Li, Yasmine Abdin","doi":"10.1016/j.polymer.2025.128587","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128587","url":null,"abstract":"This study explores the development of flax fiber-reinforced PLA/PETG polymer blends for advanced 4D printing applications, aiming to enhance mechanical, thermal, and shape memory properties. This research bridges material innovation and environmental sustainability by combining the biodegradability of PLA with the flexibility and toughness of PETG and reinforcing with sustainable flax fibers.PLA/PETG blends were prepared in varying ratios (25/75, 50/50, and 75/25) and reinforced with flax fibers at 5%, 10%, and 15% concentrations using a thermokinetic mixing process to ensure uniform fiber dispersion and enhanced material performance. Characterization techniques, including SEM, DSC, and tensile testing, were used to comprehensively analyze structural integrity, thermal stability, and shape memory behavior.The optimized blend, PLA-75/PETG-25/F-10, exhibited exceptional performance, with a tensile strength of 44 MPa, a Young’s modulus of 4 GPa, and approximately 92% shape recovery after 10 cycles at 90°C. Flax fiber reinforcement contributed significantly to dimensional stability, minimized shrinkage, and acted as a nucleating agent to enhance crystallinity, making these composites suitable for intricate auxetic designs and adaptive structures.By leveraging sustainable materials and advanced fabrication techniques, this study not only advances the potential of 4D printing technologies but also sets a benchmark for eco-friendly materials in dynamic and multifunctional applications across automotive, aerospace, and biomedical sectors.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"19 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144164829","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
High-performance self-healing polymer composite films with dual-crosslinked networks for enhanced electromagnetic interference shielding 具有双交联网络的高性能自愈聚合物复合膜,用于增强电磁干扰屏蔽
IF 4.6 2区 化学
Polymer Pub Date : 2025-05-28 DOI: 10.1016/j.polymer.2025.128607
Zhe Zhang, Jingyi Hao, Shuai Ma, Qinghai Shu, Xijuan Lv
{"title":"High-performance self-healing polymer composite films with dual-crosslinked networks for enhanced electromagnetic interference shielding","authors":"Zhe Zhang, Jingyi Hao, Shuai Ma, Qinghai Shu, Xijuan Lv","doi":"10.1016/j.polymer.2025.128607","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128607","url":null,"abstract":"Developing high-performance self-healing electromagnetic interference (EMI) shielding materials remains challenging due to the trade-off between mechanical durability, conductivity, and healing capability. Herein, we design a polymer-based composite film with a dual-crosslinked network, integrating cellulose nanocrystals (CNC) and boric acid to enhance flexibility and self-healing efficiency. A benzenesulfonic acid-doped polyaniline-coated graphene (G@PANI) filler, synthesized via in situ polymerization, forms an efficient conductive network within the polyvinyl alcohol (PVA) matrix. The resulting film achieves an EMI shielding effectiveness (SE) of up to 50 dB in the X-band and Ku-band and exhibits a self-healing efficiency of 95% under water-assisted conditions. This work provides a promising strategy for durable, flexible, and self-healing EMI shielding materials in smart electronics and aerospace applications.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"58 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144164828","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
How polymer entanglements retard melt crystallization 聚合物缠结如何延缓熔体结晶
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-28 DOI: 10.1016/j.polymer.2025.128578
Jinxu Yan , Rongsheng Sun , Jiping Wang , Wenbing Hu
{"title":"How polymer entanglements retard melt crystallization","authors":"Jinxu Yan ,&nbsp;Rongsheng Sun ,&nbsp;Jiping Wang ,&nbsp;Wenbing Hu","doi":"10.1016/j.polymer.2025.128578","DOIUrl":"10.1016/j.polymer.2025.128578","url":null,"abstract":"<div><div>We performed dynamic Monte Carlo simulations of polymer crystallization to investigate the retardation mechanism of the topological entanglements among chain molecules on the quiescent melt crystallization. Various extents of entanglements in the melts were prepared and were characterized by the average entangled chains around each polymer, with the calculation method similar with the primitive path analysis of polymer entanglements. Kinetic analysis of primary crystal nucleation for melt crystallization revealed that the higher entanglements slightly raise the nucleation barrier assigned to the higher fold-end surface free energy. We found that during crystallization the higher entanglements generate longer loops and tie molecules and thus bring the topological entropic constraints to the folding-end surface of lamellar crystals. The topological constraints furthermore hinder the thickness of lamellar crystals to suppress the harvest of crystallinity. Our observations are consistent with the previously reported phenomena and bring new insights into the microscopic mechanisms of polymer melt crystallization under the influence of the interchain topological entanglements.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"333 ","pages":"Article 128578"},"PeriodicalIF":4.1,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144164827","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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