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Influence of proteins in octacalcium phosphate synthesis for the development of biomimetic synthetic bone substitutes 八磷酸钙合成中蛋白质对仿生骨代用品开发的影响
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-14 DOI: 10.1016/j.polymer.2025.128532
Riessa Nanda Mertamani , Jooseong Kim , Sukyoung Kim
{"title":"Influence of proteins in octacalcium phosphate synthesis for the development of biomimetic synthetic bone substitutes","authors":"Riessa Nanda Mertamani ,&nbsp;Jooseong Kim ,&nbsp;Sukyoung Kim","doi":"10.1016/j.polymer.2025.128532","DOIUrl":"10.1016/j.polymer.2025.128532","url":null,"abstract":"<div><div>Gelatin and collagen, known as natural proteins, have been used as additives to improve clinical usability and efficacy of synthetic bone substitutes. In particular, a method of adding natural proteins while synthesizing calcium phosphate minerals has been used to implement a composition similar to natural bone. In this study, octacalcium phosphate (OCP), a raw material for synthetic bone substitutes, was synthesized in a natural protein solution, and the effect of the added protein on the characteristics of OCP crystals was evaluated. OCP powders were prepared by the hydration of dicalcium phosphate dihydrate (DCPD) (CaHPO<sub>4</sub>.H<sub>2</sub>O) in a protein solution via a heterogeneous crystallization route. The properties of the synthesized OCP crystals were investigated to examine how they were influenced by the protein solution. Collagen and gelatin, used as protein molecules, expanded the a-axis lattice parameter (100) of OCP crystals by 3.1 % and 1.5 %, respectively, which is thought to be due to their incorporation into the hydration layer together with water molecules during OCP synthesis. In addition, the size of OCP crystals became smaller than that of OCP crystals synthesized in distilled water, which is thought to be due to the encapsulation oradsorption of OCP crystals by the added proteins. The incorporation or adsorption/encapsulation effects of proteins on OCP crystals varied depending on the type of protein. Gelatin showed greater changes than collagen in the crystal structure, particle shape, and thermal and hydrolytic stability of OCP powder due to protein incorporation into the hydration layer or adsorption on the surface of OCP crystal.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"332 ","pages":"Article 128532"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945885","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
Highly transparent, degradable, and robust bioplastic film for smart packaging 用于智能包装的高透明、可降解和坚固的生物塑料薄膜
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-14 DOI: 10.1016/j.polymer.2025.128506
Yuan Chen , Jun-Yi Han , Guo-hui Gao , Jia-ning Wang , Wen-kai Zhao , Hao-yong Yang , Yu-xiang Zhao , Sheng Wang , Tao Zhang
{"title":"Highly transparent, degradable, and robust bioplastic film for smart packaging","authors":"Yuan Chen ,&nbsp;Jun-Yi Han ,&nbsp;Guo-hui Gao ,&nbsp;Jia-ning Wang ,&nbsp;Wen-kai Zhao ,&nbsp;Hao-yong Yang ,&nbsp;Yu-xiang Zhao ,&nbsp;Sheng Wang ,&nbsp;Tao Zhang","doi":"10.1016/j.polymer.2025.128506","DOIUrl":"10.1016/j.polymer.2025.128506","url":null,"abstract":"<div><div>The incorporation of smart packaging technology with versatile bio-based materials offers a promising strategy in the realms of food safety and environmental sustainability. Here, we report a novel dual-network, microplastic-free sodium alginate-cellulose fiber paper (SA-CFP) composite film, fabricated through evaporation-induced self-assembly, for intelligent food packaging. Due to the tightly interconnected three-dimensional network formed by the combination of sodium alginate polysaccharide and the cellulose fiber skeleton, the SA-CFP film exhibits high transparency (89.6 %) and excellent mechanical properties (43 MPa), with a tensile strength more than 2.5 times that of pure SA film (16.8 MPa). We further incorporated lanthanide ions were into the SA-CFP film, imparting excellent wet strength (over 18 ± 2.4 MPa) and tunable fluorescence properties. The seaweed-based fluorescent films rapidly respond to biogenic amines, making them suitable as smart tags in the food packaging field. Importantly, the film is fully biodegradable in three months. We report a dual-network seaweed-based plastic film with enhanced comprehensive performance and broadened seaweed's potential for applications as packing materials with lower environmental effects.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128506"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945882","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
Nonionic surfactants as zero-shear compatibilizing agents for polyethylene/polyamide blends 非离子表面活性剂作为聚乙烯/聚酰胺共混物的零剪切增容剂
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-14 DOI: 10.1016/j.polymer.2025.128468
Mohammad Akhtar, John Vlachopoulos, Michael R. Thompson
{"title":"Nonionic surfactants as zero-shear compatibilizing agents for polyethylene/polyamide blends","authors":"Mohammad Akhtar,&nbsp;John Vlachopoulos,&nbsp;Michael R. Thompson","doi":"10.1016/j.polymer.2025.128468","DOIUrl":"10.1016/j.polymer.2025.128468","url":null,"abstract":"<div><div>This work explores the utility of low molecular weight, nonionic surfactants as compatibilizing agents to improve the physical properties of rotationally moulded parts formed using a physical mixture of immiscible polymers, high-density polyethylene (HDPE) and polyamide 11 (PA11). Selective control of melt-phase morphology during rotomoulding motivated the selection of functionally dissimilar emulsifiers, Tween 20 (polyoxyethylene sorbitan monolaurate; HLB 16.7) and Span 85 (sorbitan trioleate; HLB 1.8) at concentrations of 0.1–1.0 wt% to investigate a viable single-step alternative to the comparatively complex industry standard for manufacturing plastic fuel tanks (PFTs). Dry blends of HDPE and PA11 coated with Tween 20 showed the PA11 phase preferentially migrating bidirectionally towards the outer surfaces of the mould walls while also yielding an improvement in impact strength compared to a mixture of uncoated particles. Conversely, moulded parts prepared with ground particles of extrusion-compounded Tween 20-coated HDPE/PA11 blends adversely affected impact properties while having a negligible difference on morphology. Span 85, albeit negatively affecting porosity, showed improved impact properties while having no characteristic influence on morphology. In all scenarios, compared to the 50/50 mixtures, the 75/25 HDPE/PA11 dry blends showed either inconsequential or poorer gains at similar concentrations for both surfactant species.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"332 ","pages":"Article 128468"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143980052","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
Fabrication of emulsion-templated porous polymer using planetary centrifugal mixer for hydrogenation catalyst support 用行星离心混合器制备乳液模板多孔聚合物加氢催化剂载体
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-14 DOI: 10.1016/j.polymer.2025.128542
Shengmiao Zhang , Shuo Shao , Mingjun Chen , Chuanbang Xu
{"title":"Fabrication of emulsion-templated porous polymer using planetary centrifugal mixer for hydrogenation catalyst support","authors":"Shengmiao Zhang ,&nbsp;Shuo Shao ,&nbsp;Mingjun Chen ,&nbsp;Chuanbang Xu","doi":"10.1016/j.polymer.2025.128542","DOIUrl":"10.1016/j.polymer.2025.128542","url":null,"abstract":"<div><div>The emulsion-templating technique is a crucial method for preparing macroporous polymer, known as polyHIPEs. These materials are typically synthesized using a high internal phase emulsion (HIPE) as a template. Due to the high internal phase volume fraction (≥74.05 %) and the resulting polyhedral droplet structure, HIPEs generally exhibit high viscosity. This high viscosity often leads to the entrapment of gas during emulsification, forming bubbles that are challenging to remove. As a result, the resulting polyHIPEs often possess an uneven porous structure with super-voids from trapped bubbles, leading to reduced mechanical strength. In this study, HIPEs were prepared for the first time using a planetary centrifugal mixer. Leveraging the mixer's unique capabilities for highly efficient mixing and defoaming, bubble-free oil-in-water (o/w) HIPEs were successfully achieved. Polymerization of these HIPEs yielded a series of hydrophilic polyHIPEs with uniform void sizes. Compared to polyHIPEs produced via traditional emulsification methods, such as magnetic stirring, mechanical stirring, and homogenization, the polyHIPEs prepared in this work demonstrated significantly enhanced mechanical properties, with compressive strength increased by more than 37 %. When loaded with Pd/C, the resulting Pd/C@polyHIPE proved to be a highly efficient catalyst for the hydrogenation of phenol to cyclohexanone under pressurized conditions (3 MPa) with vigorous agitation. The catalyst achieved a 92.2 % conversion of phenol and a 91.1 % selectivity for cyclohexanone within a 6-h reaction. Furthermore, the Pd/C@polyHIPE exhibited excellent stability and could be reused five times without a significant loss in catalytic activity.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128542"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945883","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 simulations in elucidating the unique behaviors of polymers induced by chain connectivity: A personal review 分子模拟在阐明由链连通性引起的聚合物独特行为中的应用:个人综述
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-14 DOI: 10.1016/j.polymer.2025.128480
Tingyu Xu, Fan Peng, Renkuan Cao, Hao Sun, Ziwei Liu, Yunhan Zhang, Liangbin Li
{"title":"Molecular simulations in elucidating the unique behaviors of polymers induced by chain connectivity: A personal review","authors":"Tingyu Xu,&nbsp;Fan Peng,&nbsp;Renkuan Cao,&nbsp;Hao Sun,&nbsp;Ziwei Liu,&nbsp;Yunhan Zhang,&nbsp;Liangbin Li","doi":"10.1016/j.polymer.2025.128480","DOIUrl":"10.1016/j.polymer.2025.128480","url":null,"abstract":"<div><div>Polymer materials possess unique chain connectivity structure, which endows them with distinctive features in terms of structure, thermodynamics, and dynamics. Traditional polymer physics focuses on how this unique chain connectivity governs the microscopic dynamics and interactions in polymer systems, differentiating their properties from those of small-molecule systems. This review revisits our several efforts made using molecular simulations to explore specific, unresolved issues in polymer systems, offering readers a personal perspective on the significant role of molecular simulation methods in advancing polymer physics. The review discusses the effects of chain connectivity from the perspectives of entanglement constraints, chain segment stretching, and orientation, introducing phenomena including chain orientation tumbling and shear banding in nonlinear polymer rheology, crystallization in biaxially stretched and entanglement-modified polymer melts, and bond orientation-determined stress in glassy polymers.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"332 ","pages":"Article 128480"},"PeriodicalIF":4.1,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143945887","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
Dielectric performance of all-organic polymer composites via incorporation of fluorinated molecules 氟化分子对全有机聚合物复合材料介电性能的影响
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-13 DOI: 10.1016/j.polymer.2025.128546
Xudong Wu , Ze Zhang , Qinghe Wu , Yachin Ivry , Daniel Q. Tan
{"title":"Dielectric performance of all-organic polymer composites via incorporation of fluorinated molecules","authors":"Xudong Wu ,&nbsp;Ze Zhang ,&nbsp;Qinghe Wu ,&nbsp;Yachin Ivry ,&nbsp;Daniel Q. Tan","doi":"10.1016/j.polymer.2025.128546","DOIUrl":"10.1016/j.polymer.2025.128546","url":null,"abstract":"<div><div>All-organic polymer composites have garnered growing attention due to their improved dielectric performance and the compatibility between polymer matrix and fillers favorable for large-scale processing. Here, two fluorinated molecules with different numbers of fluorine atoms, namely 4,5,6,7-tetrafluoronaphtho [2,1-b:3,4-b’]dithio-phene (F<sub>4</sub>NT) and 5,6-difluoronaphtho [2,1-b:3,4-b’]dithio-phene (F<sub>2</sub>NT), are incorporated in polyetherimide (PEI). Traces of organic fillers decouple the conjugated structure of PEI chains, reducing the electron transmission channels under high electric fields. The FNTs with multi-ring coplanar structures enhance the insulation of composites due to the wide-bandgap nature and space-scattering electron effects. The molecular filler with more fluorine atoms proved to be more effective in inhibiting electron transmission and resulted in enhanced breakdown strength (approximately 30 %) and significantly reduced high-temperature dielectric loss. Moreover, sulfur atoms with higher polarizability in FNTs contribute to an improved dielectric constant. The simultaneously enhanced dielectric constant and breakdown strength in composite film capacitors result in a higher discharged energy density that is 1.9 times that of pure polymer, accompanied by a high efficiency of 90 %. Further preparation of composites based on polyvinylidene difluoride (PVDF) for mechanism investigation reveals that the enhanced dielectric performance is mainly due to enhanced insulation properties in the amorphous area.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128546"},"PeriodicalIF":4.1,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143940029","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
Methanolysis of mixed plastics catalyzed by ionic liquid: PET depolymerization and recycling of PP/PE 离子液体催化混合塑料的甲醇水解:PET解聚及PP/PE的回收
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-13 DOI: 10.1016/j.polymer.2025.128545
Leqing He, Shuangbai Li, Chongpin Huang
{"title":"Methanolysis of mixed plastics catalyzed by ionic liquid: PET depolymerization and recycling of PP/PE","authors":"Leqing He,&nbsp;Shuangbai Li,&nbsp;Chongpin Huang","doi":"10.1016/j.polymer.2025.128545","DOIUrl":"10.1016/j.polymer.2025.128545","url":null,"abstract":"<div><div>In the context of composite materials that elude classification via conventional pretreatment methodologies such as crushing, granulating, and flotation—specifically within the domains of food packaging, construction materials, and engineering plastics—this research employed a one-step methanolysis-separation technique for the graded recycling of polypropylene (PP), polyethylene (PE), and polyethylene terephthalate (PET) in mixed plastics. Employing methanol as the reaction solvent, the benign and eco-friendly ionic liquid BMIMOH as the catalyst for the degradation of PET. PET was methanolized to produce dimethyl terephthalate (DMT), while PP and PE remained highly stable, were separated after the reaction, and subjected to subsequent recycling. The stability of PP and PE under methanolysis conditions was revealed through structural and thermodynamic analyses. Single-factor analysis and response surface methodology were employed to determine the optimal conditions for the methanolysis reaction. Additionally, the impact of different contents of PP and PE on the recovery of PET from the mixed plastics during the swelling-condensation process at high temperatures was explored. Under the optimal conditions, the yield of DMT was 94 % for the degradation of single PET, and when the ratio of PET in the mixed plastics was 50 %, the yield of DMT could still reach 90 %.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128545"},"PeriodicalIF":4.1,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143940606","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
Evolution of structure of highly crystalline poly(glycolide-co-lactide) under varying hot stretching rates 不同热拉伸速率下高结晶聚乙二醇-共丙交酯结构的演化
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-12 DOI: 10.1016/j.polymer.2025.128540
Yiru Shan, Jin Guo, Congliang Huang, Weijun Miao, Zongbao Wang
{"title":"Evolution of structure of highly crystalline poly(glycolide-co-lactide) under varying hot stretching rates","authors":"Yiru Shan,&nbsp;Jin Guo,&nbsp;Congliang Huang,&nbsp;Weijun Miao,&nbsp;Zongbao Wang","doi":"10.1016/j.polymer.2025.128540","DOIUrl":"10.1016/j.polymer.2025.128540","url":null,"abstract":"<div><div>With the sustained global focus on sustainable development, the utilization of biodegradable polymers as alternatives to traditional plastics has emerged as a significant research topic. Among them, poly(glycolide-co-lactide) (P(GA-<em>co</em>-LA)) has garnered widespread attention in practical applications due to its exceptional biocompatibility and biodegradability. In this study, in-situ synchrotron radiation wide-angle X-ray diffraction (WAXD)/small-angle X-ray scattering (SAXS) techniques were employed to investigate the structural evolution of highly crystalline eutectic P(GA-<em>co</em>-LA) during hot stretching at strain rates ranging from 0.04·min<sup>−1</sup> to 4.00·min<sup>−1</sup>. The research results indicate that the structural evolution primarily encompasses crystal slip, fragmentation, and recrystallization processes, as well as stress-induced formation of new crystals. In the early stage of stretching, as the strain rate decreases, the phenomenon of crystal slip diminishes, effectively inhibiting crystal fragmentation. During the intermediate stage, low-rate stretching leads to a higher degree of order in the molecular chain structure due to the enhanced exclusion effect of LA units. In the later stage of stretching, low-rate stretching conditions are more conducive to the growth of new lamellar crystals and the formation of highly oriented crystals. The crystallite size continues to decrease, and the structural arrangement of P(GA-<em>co</em>-LA) tends to become more regular. It is difficult for LA units to incorporate into the newly formed crystals, thereby enhancing the crystallinity and orientation of P(GA-<em>co</em>-LA). Low-rate stretching further promotes the perfection and evolution of the lamellar structure, facilitating the transition from lamellar crystals to highly oriented fibrous crystals. This reduces the probability of LA units incorporating into the lattice, thus enhancing the regularity of the overall crystal structure.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128540"},"PeriodicalIF":4.1,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143940031","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
In-situ branched Poly (butylene succinate-co-butylene terephthalate) for green preparation of ultralight foams: simultaneous enhanced mechanical and degradation properties 原位支链聚丁二甲酸丁二酯-对苯二甲酸丁二酯绿色制备超轻泡沫:同时增强机械和降解性能
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-11 DOI: 10.1016/j.polymer.2025.128519
Wentao Guo, Shaolong Wei, Jie Yuan, Xiulu Gao, Ling Zhao, Dongdong Hu
{"title":"In-situ branched Poly (butylene succinate-co-butylene terephthalate) for green preparation of ultralight foams: simultaneous enhanced mechanical and degradation properties","authors":"Wentao Guo,&nbsp;Shaolong Wei,&nbsp;Jie Yuan,&nbsp;Xiulu Gao,&nbsp;Ling Zhao,&nbsp;Dongdong Hu","doi":"10.1016/j.polymer.2025.128519","DOIUrl":"10.1016/j.polymer.2025.128519","url":null,"abstract":"<div><div>A series of PBST with the branching agent glycerol ranging from 0 mol.% to 1.5 mol.% were synthesized by in-situ polymerization, and different branched PBST foams were prepared using supercritical CO<sub>2</sub>. The introduction of branching structure both improve the rheological, mechanical properties and crystallization behavior of PBST. The crystallinity, relaxation time and tensile modulus of branched PBST increase from 12.7 % to 15.2 %, from 0.0136 s to 2.288 s and from 63.9 MPa to 87.0 MPa, respectively. When the glycerol content was 1.0 mol.%, the degree of branching was optimal and the maximum initial and final expansion ratios of the prepared foams were 38.5 and 21.5, respectively. The addition of branching agent increases the rigidity and entanglement of the molecular chain and provides more hydroxyl groups as degradation sites, resulting in branched PBST foams exhibiting superior compression and degradation properties. Compared to linear PBST, the compressive modulus of branched PBST foams with an expansion ratio of 10 increases from 1.21 MPa to 2.92 MPa. Introduction of branching structure by in-situ polymerization can provide an effective strategy for the preparation of degradable foams with excellent mechanical and degradation properties, and adjustable cell parameters.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128519"},"PeriodicalIF":4.1,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143933181","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 dynamics simulations of stretch-induced crystallization of polyethylene-grafted-graphene/polyethylene system 聚乙烯-接枝石墨烯/聚乙烯体系拉伸诱导结晶的分子动力学模拟
IF 4.1 2区 化学
Polymer Pub Date : 2025-05-11 DOI: 10.1016/j.polymer.2025.128534
Yongqiang Ming, Jianlong Wen, Chao Cheng, Tongfan Hao, Juan Yang, Yijing Nie
{"title":"Molecular dynamics simulations of stretch-induced crystallization of polyethylene-grafted-graphene/polyethylene system","authors":"Yongqiang Ming,&nbsp;Jianlong Wen,&nbsp;Chao Cheng,&nbsp;Tongfan Hao,&nbsp;Juan Yang,&nbsp;Yijing Nie","doi":"10.1016/j.polymer.2025.128534","DOIUrl":"10.1016/j.polymer.2025.128534","url":null,"abstract":"<div><div>The stretch-induced crystallization of the polyethylene (PE)-<em>g</em>-graphene/PE system was studied by molecular dynamics simulations. It was found that the stretching effect and the presence of grafted chains can enhance the orientation of segments along the stretching direction and promote the conformational transition of chains, leading to an increase in the content of precursors, thereby improving the crystallization ability of the polymer system. Detailed analysis revealed that the segments near grafting points, due to the strong restriction effect, have a significantly lower degree of orientational order and conformational transformation ability compared to the segments in the middle of the chains. For the segments near the free ends, due to the presence of more entanglements, the degree of orientational order and conformational transition ability are also significantly lower than those of the segments in the middle of the chains. Then, there is a higher precursor content for the segments in the middle of the chains compared to the segments near the ends, resulting in stronger crystallization ability of the segments in the middle of the chains. Additionally, it was found that the segments in the middle of the chains are more likely to form crystal nuclei through the intramolecular nucleation mechanism, while the segments near the ends tend to form crystal nuclei through the intermolecular nucleation mechanism.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"331 ","pages":"Article 128534"},"PeriodicalIF":4.1,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932629","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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