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A novel UV-curable intrinsic antistatic polymer materials for rapid 3D printing architectures based on polymerizable deep eutectic solvent 基于可聚合深共晶溶剂的新型紫外光固化本征抗静电聚合物材料,可用于快速 3D 打印架构
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-14 DOI: 10.1016/j.polymer.2025.128244
Cheng Zhang, Hui He, Yue Shen, Fan Kang, Hongyu Zhai
{"title":"A novel UV-curable intrinsic antistatic polymer materials for rapid 3D printing architectures based on polymerizable deep eutectic solvent","authors":"Cheng Zhang,&nbsp;Hui He,&nbsp;Yue Shen,&nbsp;Fan Kang,&nbsp;Hongyu Zhai","doi":"10.1016/j.polymer.2025.128244","DOIUrl":"10.1016/j.polymer.2025.128244","url":null,"abstract":"<div><div>Electrostatic discharge poses significant safety hazards in electrical and electronic applications. Therefore, it is crucial to adopt a portable method for fabricating devices with excellent antistatic properties. In this study, we prepared a novel photocurable antistatic material (UVR-B-DES) using polymerizable deep eutectic solvents (DES), acryloylmorpholine and polyurethane acrylate based on bis(2-hydroxyethyl) terephthalate (BHET) from the glycolysis products of waste polyester. BHET-based polyurethane acrylate (PUA-B) was synthesized with isoflurone diisocyanate, BHET, trimethylolpropane and hydroxymethacrylate at a certain temperature. During UV-curing, crosslinking network locks the PUA-B, acryloylmorpholine and DES together through non-covalent interaction between the components. The physicochemical properties, antistatic performance, and curing kinetics of these antistatic photocurable materials were investigated. UVR-B-DES exhibited notable antistatic properties and a rapid curing rate. Specifically, UVR-3B-50DES, containing PUA-3B and 50 wt% DES, demonstrated the lowest surface resistivity (10<sup>8</sup> Ω) and volume resistivity (3.3 × 10<sup>8</sup> Ω/cm), along with a satisfactory curing rate. Furthermore, UVR-3B-50DES showed enhanced toughness, improved thermal management performance, and the potential of 3D printing materials, thus broadening the application scope of antistatic photocurable materials. This research paves the way for advancing the development of photocurable 3D printing materials.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128244"},"PeriodicalIF":4.1,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627658","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
Thermo-mechanical properties of sustainable resins through a combined experimental and molecular simulation approach
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-14 DOI: 10.1016/j.polymer.2025.128240
Sébastien Laget , Marie-Noëlle Poradowski , Julien Devémy , Sébastien Garruchet , Alain Dequidt , Patrice Hauret , Patrice Malfreyt
{"title":"Thermo-mechanical properties of sustainable resins through a combined experimental and molecular simulation approach","authors":"Sébastien Laget ,&nbsp;Marie-Noëlle Poradowski ,&nbsp;Julien Devémy ,&nbsp;Sébastien Garruchet ,&nbsp;Alain Dequidt ,&nbsp;Patrice Hauret ,&nbsp;Patrice Malfreyt","doi":"10.1016/j.polymer.2025.128240","DOIUrl":"10.1016/j.polymer.2025.128240","url":null,"abstract":"<div><div>Multiple epoxy-amine thermosets, focusing on bio-based epoxy monomers, have been studied using both experimental work and molecular simulations. Glass transition temperature and Young’s modulus properties were calculated with both methods to prove the validity of the computational models. We used the molecular simulation to define some descriptors such as the distance between amine groups, number of hydrogen bonds and <span><math><mi>π</mi></math></span>-stacking interactions, degree of rotational freedom of carbon rings. Statistical analysis was performed in order to establish some relationship between the glass transition temperature, Young’s modulus and some of these molecular descriptors.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128240"},"PeriodicalIF":4.1,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143618511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A simple superhydrophilic/underwater superoleophobic PVDF-OH/AA@ZnO membrane with needle structures for efficient oil-in-water emulsions separation
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-14 DOI: 10.1016/j.polymer.2025.128285
Zhanjian Liu , Ping Wang , Jing Jing , Meiling Li , Yuxin Fu , Xiguang Zhang , Huaiyuan Wang
{"title":"A simple superhydrophilic/underwater superoleophobic PVDF-OH/AA@ZnO membrane with needle structures for efficient oil-in-water emulsions separation","authors":"Zhanjian Liu ,&nbsp;Ping Wang ,&nbsp;Jing Jing ,&nbsp;Meiling Li ,&nbsp;Yuxin Fu ,&nbsp;Xiguang Zhang ,&nbsp;Huaiyuan Wang","doi":"10.1016/j.polymer.2025.128285","DOIUrl":"10.1016/j.polymer.2025.128285","url":null,"abstract":"<div><div>Superwetting oil-water separation membranes are effective materials for treatment of wastewater containing emulsified oil, but the problem of membrane pollution remains a huge challenge during its long-term operation. In this study, we successfully developed a superhydrophilic/underwater superoleophobic membrane using a simple phase separation method. The fabrication process involved three key steps: (1) surface hydroxylation of pristine PVDF using NaOH etching to generate active hydrogen bonds and hydroxyl groups, (2) acrylic acid (AA) grafting onto the hydroxylated PVDF surface to introduce carboxyl functionalities, and (3) in-situ chelation of needle-like ZnO onto the AA-grafted matrix. The synergistic effect of the surface needle-like ZnO and the hydration layer endowed the PVDF-OH/AA@ZnO membrane with an outstanding oil-water separation efficiency of n-hexane up to 99.68 %, and higher than 98 % for various emulsions (e.g. kerosene, petroleum ether, chloroform, and dichloromethane) under gravity. Moreover, compared with the basement membrane, the tensile strength of the modified membrane increased from 106.21 kPa to 153.84 kPa, indicating its excellent mechanical properties under strong external forces. The PVDF-OH/AA@ZnO membrane demonstrated exceptional recycling performance, with a separation efficiency above 97.25 % after five cycles, and exhibited anti-fouling capability with simple water rinsing used to remove surface oil residues. Overall, this study provides a scalable strategy for the design of superhydrophilic/underwater superoleophobic separation membranes for the practical treatment of oily wastewater.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128285"},"PeriodicalIF":4.1,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627655","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
Baking-inspired process for fully physically crosslinked polyacrylic acid ionic gels with excellent moldability and versatility assiated by ionic liquid
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-14 DOI: 10.1016/j.polymer.2025.128284
Wentao Wang , Jing Bai , Wenwen Xu , Yutong Xia , Mang Wu , Min Wu
{"title":"Baking-inspired process for fully physically crosslinked polyacrylic acid ionic gels with excellent moldability and versatility assiated by ionic liquid","authors":"Wentao Wang ,&nbsp;Jing Bai ,&nbsp;Wenwen Xu ,&nbsp;Yutong Xia ,&nbsp;Mang Wu ,&nbsp;Min Wu","doi":"10.1016/j.polymer.2025.128284","DOIUrl":"10.1016/j.polymer.2025.128284","url":null,"abstract":"<div><div>Ionic gels have gained significant traction in the realm of flexible devices due to their remarkable stretchability, non-volatility, and high ionic conductivity. However, the limited mechanical properties of these gels, intricate preparation methods involved, and the challenges in large-scale manufacturing present significant barriers to their practical implementation in flexible devices. Simulated baking technique, the present study involved the synthesis for a series of high-performance polyacrylic acid (PAA) based ionic gels through one-pot heat-induced polymerization in a mixture comprising 1-ethyl-3-methylimidazole ethyl sulfate (EMIES) and water. The resulting ionic gels exhibit a microphase separation structure along with exceptional mechanical strength (6.18 MPa), favorable ionic conductivity (0.15 S/m), remarkable tensile toughness (670 %), outstanding moldability, high optical transparency, and efficient large-scale preparation. Furthermore, ionic gels demonstrate superior ionic conductivity and can be engineered into both soft and hard strain sensors tailored for diverse applications. This paper presents a straightforward and efficacious approach for obtaining superior-quality and functional ionic gels.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128284"},"PeriodicalIF":4.1,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143618512","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
Efficient β-galactosidase immobilized on glycidyl methacrylate polyHIPE
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-14 DOI: 10.1016/j.polymer.2025.128264
Muzafera Paljevac , Darja Pečar , Peter Krajnc
{"title":"Efficient β-galactosidase immobilized on glycidyl methacrylate polyHIPE","authors":"Muzafera Paljevac ,&nbsp;Darja Pečar ,&nbsp;Peter Krajnc","doi":"10.1016/j.polymer.2025.128264","DOIUrl":"10.1016/j.polymer.2025.128264","url":null,"abstract":"<div><div>Poly(glycidyl methacrylate-co-ethyleneglycol dimethacrylate) monoliths (PolyGMA) were synthesized by high internal phase emulsion (HIPE) templating and polymerisation. The porous monoliths exhibited a hierarchical porous structure with primary pores (cavities, average diameter 35 μm) interconnected by secondary pores (average diameter 5 μm). FTIR spectroscopy confirmed the chemical composition and identified characteristic functional groups of both GMA and EGDMA. The polyGMA materials were ground and sieved to obtain particles between 710 μm and 1000 μm in diameter, which were subsequently used to immobilize the enzyme β-galactosidase. Immobilization was performed using two methods, namely direct binding via epoxide groups and binding after the activation with glutaraldehyde. The glutaraldehyde method resulted in higher enzyme loading (0.43 mg of enzyme per 100 mg of polyGMA) and significantly improved catalytic activity compared to direct binding. The immobilized β-galactosidase was used for lactose hydrolysis under various conditions using both batch and flow-through reactors. Optimal activity was observed at pH 6.5 and 35 °C, with kinetic parameters <em>v</em><sub>max</sub> = 0.64 mmol L<sup>−1</sup>∙min<sup>−1</sup> and <em>K</em><sub><em>M</em></sub> = 38.8 mmol mol<sup>−1</sup>. Reuse tests showed stable performance over five cycles. Comparatively, non-porous polyGMA exhibited negligible enzymatic activity compared to polyHIPE supported enzyme. In addition, lactose hydrolysis was investigated in a flow-through system at different flow rates (0.5–2.5 mL min<sup>−1</sup>). The highest conversion (100 %) was observed at a flow rate of 0.5 mL∙min-<sup>1</sup>, while a higher flow rate of 2.5 mL∙min-<sup>1</sup> resulted in a lower conversion (approx. 35 %), both at the lactose concentration of 4 g L<sup>−1</sup>.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128264"},"PeriodicalIF":4.1,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Editorial: Recent Advances in Radical Ring-Opening Polymerization
IF 4.6 2区 化学
Polymer Pub Date : 2025-03-13 DOI: 10.1016/j.polymer.2025.128271
Julien Nicolas, Yohann Guillaneuf
{"title":"Editorial: Recent Advances in Radical Ring-Opening Polymerization","authors":"Julien Nicolas, Yohann Guillaneuf","doi":"10.1016/j.polymer.2025.128271","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.128271","url":null,"abstract":"No Abstract","PeriodicalId":405,"journal":{"name":"Polymer","volume":"183 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608351","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
Tailoring hydrophobic segment lengths in reactive HEURs: A Novel approach to optimizing rheology for UV-curable waterborne coatings
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-13 DOI: 10.1016/j.polymer.2025.128283
Seyed Farzan Tajbakhsh, Yousef Dehghani, Saeed Pourmahdian
{"title":"Tailoring hydrophobic segment lengths in reactive HEURs: A Novel approach to optimizing rheology for UV-curable waterborne coatings","authors":"Seyed Farzan Tajbakhsh,&nbsp;Yousef Dehghani,&nbsp;Saeed Pourmahdian","doi":"10.1016/j.polymer.2025.128283","DOIUrl":"10.1016/j.polymer.2025.128283","url":null,"abstract":"<div><div>The transition from solvent-based to water-based coating technologies is driven by environmental concerns over volatile organic compounds (VOCs). However, waterborne systems, such as UV-curable coatings, face challenges like suboptimal rheological properties, leading to defects in flowability and leveling. Hydrophobically ethoxylated urethanes (HEURs) are among the most effective rheology modifiers for water-based resins due to their associative micellar behavior. In this study, reactive HEURs (RHs) with varying hydrophobic segment lengths (10, 14, and 18 carbons) and methacrylate reactive groups were synthesized and characterized using FTIR, H<sup>1</sup> NMR, and GPC. Rheological and viscoelastic analyses were conducted in both aqueous solutions and resin systems at pre- and post-curing stages.</div><div>The physicochemical characterization techniques confirmed synthesis of RHs with optimal molecular weights of approximately 14000 g mol<sup>−1</sup> and narrow distributions. The RHs self-assembled into micellar networks above the critical percolation concentration, with RH-18 forming the densest networks due to its longer hydrophobic chains and enhanced hydrophobic interactions. UV curing polymerized the methacrylate groups, transforming transient micellar networks into robust, crosslinked structures, leading to significant increases in viscosity and elastic modulus. RH-18 consistently exhibited the strongest rheological performance, demonstrating the highest viscosity, stability under a wide range of shear stress, and gelation properties. RH-14 also performed well, particularly in resin systems, where it enhanced gelation, elasticity, and flow stability, making it a suitable choice for applications requiring intermediate performance. These results establish RH-18 as an optimal rheology modifier for waterborne UV-curable coatings and highlight RH-14 as a viable alternative for systems requiring balanced rheological and viscoelastic properties.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128283"},"PeriodicalIF":4.1,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143618513","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 and assessment of an improved SEC-FTIR detector and flow cell for measuring short chain branching in polyethylene copolymers
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-13 DOI: 10.1016/j.polymer.2025.128236
Paul DesLauriers , Nathan Cole , David Soules , Lubos Hvozdara , Jeff Fodor , Masud Monwar
{"title":"Development and assessment of an improved SEC-FTIR detector and flow cell for measuring short chain branching in polyethylene copolymers","authors":"Paul DesLauriers ,&nbsp;Nathan Cole ,&nbsp;David Soules ,&nbsp;Lubos Hvozdara ,&nbsp;Jeff Fodor ,&nbsp;Masud Monwar","doi":"10.1016/j.polymer.2025.128236","DOIUrl":"10.1016/j.polymer.2025.128236","url":null,"abstract":"<div><div>Determination of short chain branching distribution (SCBD) is important in modifying the mechanical properties of the polyethylene (PE) copolymers in order to meet the end-user requirements especially for high density polyethylene (HDPE). In the current PE business landscape, determining SCBD in a fast and efficient manner is critical to maintain a competitive advantage in product development. Coupling size-exclusion chromatography (SEC) to Fourier transformed infrared (FTIR) or optical filter-based infrared (IR) spectrometers, has brought significant improvements in this area in comparison to the offline hyphenated method of preparative fractionation and subsequent nuclear magnetic resonance (NMR) analysis of the fractions.</div><div>This research describes the design and implementation of a new FTIR detector which measures the carbon-hydrogen stretching IR absorbance (3000-2700 cm<sup>−1</sup>) of PE samples at each MW slice. The detector was innovatively designed so that the flow cell is placed inside the column oven to ensure uniform heating and employs a thermoelectrically cooled detector. Furthermore, machine learning techniques such as Hierarchical Cluster Analysis (HCA) and Partial Least Squares models (PLS-1) were applied to the spectral data to establish methyl group qualification limits (due to sample concentration) in terms of Me/1000 Total Carbon (TC) and accuracy of the measured SCB/1000 TC values, respectively. Results show that initial partial least squares models (PLS-1) can accurately estimate SCB content to ± 1 SCB/1000 TC down to a sample concentration of 0.035 mg/mL at the cell for various different types of HDPE samples.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128236"},"PeriodicalIF":4.1,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608350","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
Wearable reversible based polyoxymethylenmelamine blue 63 methyl stearate thermochromic membrane for temperature sensing
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-13 DOI: 10.1016/j.polymer.2025.128225
Kavitha Sharanappa Gudadur , Avinash Kumar
{"title":"Wearable reversible based polyoxymethylenmelamine blue 63 methyl stearate thermochromic membrane for temperature sensing","authors":"Kavitha Sharanappa Gudadur ,&nbsp;Avinash Kumar","doi":"10.1016/j.polymer.2025.128225","DOIUrl":"10.1016/j.polymer.2025.128225","url":null,"abstract":"<div><div>The most important indication of health is body temperature, which provides strong motivation for interdisciplinary research to advance measurement methods. In the work conducted, a thermochromic bio-compatible membrane is designed such that it changes color with the rise of temperature to a certain threshold. The novel wearable thermochromic membrane sensor consisted of incorporating polyoxymethylenmelamine blue 63 methyl stearate into a composite matrix of polyvinyl alcohol (PVA) and a water-soluble polyvinylpyrrolidone (PVP). The response is highly colored and varies visibly without any input of electrical power. It turned dark blue at ambient temperatures (20–25 °<span><math><mi>C</mi></math></span>). At 37–38 °<span><math><mi>C</mi></math></span> temperature, its color turns light blue and finally white. Measurements of air permeability and static water contact angles (WCAs) revealed remarkable improvements in comfort and hydrophobic properties. It also improved air permeability from 30.76 to 33.15 cc/sec/cm, and hydrophobicity increased from 4.25°to 52.25°. The membrane flexibilities were found as 2.88 x 10<sup>-3</sup> kg/cm, and tearing force was measured to be 985.91 units, more than the pure PVA/PVP membranes, which stood at 973.12 units, indicating there is greater resistance to tearing under stress. Results in such a membrane have shown very strong thermochromic response, which is suggested by its reflectance measurements of brightness. Then, a thermal detection patch that can be applied directly to the skin has been developed, demonstrating a visibly color-changing response toward such fluctuations of the body’s heat. The results indicate that such a thermochromic patch or membrane will be highly useful for thermal management and early detection of breast cancer.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128225"},"PeriodicalIF":4.1,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143618514","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 investigation of polyvinylidene difluoride dipole movement in electromechanical stretching: A key impact on the polymer’s piezoelectric phenomenon
IF 4.1 2区 化学
Polymer Pub Date : 2025-03-12 DOI: 10.1016/j.polymer.2025.128232
Jinghua Lin , Mopa Gende , Yucun Zhan , Yanqi Zhao , Gaofeng Zheng , Artur Jaworski , Changcai Cui , Hui Cao
{"title":"Molecular dynamics investigation of polyvinylidene difluoride dipole movement in electromechanical stretching: A key impact on the polymer’s piezoelectric phenomenon","authors":"Jinghua Lin ,&nbsp;Mopa Gende ,&nbsp;Yucun Zhan ,&nbsp;Yanqi Zhao ,&nbsp;Gaofeng Zheng ,&nbsp;Artur Jaworski ,&nbsp;Changcai Cui ,&nbsp;Hui Cao","doi":"10.1016/j.polymer.2025.128232","DOIUrl":"10.1016/j.polymer.2025.128232","url":null,"abstract":"<div><div>The transition from <span><math><mi>α</mi></math></span>-phase to <span><math><mi>β</mi></math></span>-phase is critical for the piezoelectric functionality of polyvinylidene difluoride (PVDF), with the dynamical behaviors of polymer molecular during this transition playing the key role in determining the piezoelectric performance. A molecular dynamics simulation was used to investigate the effects of the duration and direction of an applied electric field during external stretching on enhancing the <span><math><mi>β</mi></math></span>-phase content in PVDF. A simulation scheme, aligned with the electrospinning process, was designed, and phase transition simulations were conducted. The results show that mechanically stretched PVDF fibers form a disorder structure <span><math><mi>β</mi></math></span> phase lacking piezoelectric properties due to internal dipole cancellation. However, applying an electric field perpendicular to the stretching direction during stretching aids in dipole alignment, creating overall polarity. When an electric field with varying direction is applied during stretching, polymer’s polarity direction shifts rapidly, with the electric field strength playing a positive role in the process. The variation in electric field direction is crucial in differentiating the piezoelectric coefficients of near-field and far-field electrospun films. This work provides a theoretical foundation for optimizing nanofibrous fabrication processes for high-performance piezoelectric applications.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"325 ","pages":"Article 128232"},"PeriodicalIF":4.1,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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