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Energy Dissipation and Rate-Dependent Deformation Behavior of Shear Thickening Fluid Integrated Polyurethane Foam Nanocomposites 剪切增稠流体集成聚氨酯泡沫纳米复合材料的能量耗散和速率相关变形行为
IF 4.6 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129668
Emre Gunduz, Bunyamin Karagoz, İpek Ösken, Kaan Yildiz, Hulya Cebeci
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引用次数: 0
Data-driven models toward polymer glass transition temperature embedded in structures 嵌入在结构中的聚合物玻璃化转变温度数据驱动模型
IF 4.6 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129664
Yue Wang, Caijuan Yang, Xiaoyan Sun, Feng Li, Wenying Zhao, Li Xia, Shuguang Xiang
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引用次数: 0
Preparation and properties of alkyl-modified polyurethane paving materials: A multiscale simulation and experimental investigation 烷基改性聚氨酯铺装材料的制备与性能:多尺度模拟与实验研究
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129672
Peixing Yang , Zhaohui Min , Yu Shun , Yanli Zhao , Jinxiang Hong , Fei Chen , Wei Huang
Polyurethane (PU) paving materials, known for their excellent high- and low-temperature performance, suffer from inadequate water resistance. To address this limitation, side-chain alkyl-modified polyurethanes (MG-PU) were synthesized, and multiscale simulations were conducted to elucidate the enhancement mechanisms. Experimental results indicated that a 20 % side-chain alkyl content yielded an optimal balance among mechanical properties, road performance, and water resistance. Molecular dynamics (MD) simulations revealed that MG introduction strengthened non-bonding interactions, primarily van der Waals forces, reducing free volume, and limiting water molecule diffusion, thus improving water resistance. However, exceeding 20 % MG content led to the encapsulation of polar groups, which reduced electrostatic interactions and weakened non-bonding interaction energy. This resulted in higher free volume, and reduced water resistance. Density functional theory (DFT) calculations indicated that MG reduced the PU molecule dipole moment by 18 % and lowered the water molecule adsorption energy by 53.6 %, providing deeper insight into the water resistance mechanism at the electronic level. Pearson correlation analysis confirmed the link between water resistance and micro-level simulations. This study elucidates the effects of water diffusion and intermolecular interactions, providing a theoretical foundation for the design of water-resistant PU paving materials.
聚氨酯(PU)铺装材料以其优异的高低温性能而闻名,但其耐水性不足。为了解决这一限制,合成了侧链烷基改性聚氨酯(MG-PU),并进行了多尺度模拟来阐明增强机理。实验结果表明,侧链烷基含量为20%时,复合材料的力学性能、路用性能和耐水性达到最佳平衡。分子动力学(MD)模拟表明,MG的引入增强了非键相互作用,主要是范德华力,减少了自由体积,限制了水分子的扩散,从而提高了水阻力。然而,MG含量超过20%会导致极性基团的包封,从而降低静电相互作用,削弱非键相互作用能。这导致了更高的自由体积,并减少了水阻力。密度泛函理论(DFT)计算表明,MG降低了PU分子偶极矩18%,降低了水分子吸附能53.6%,从而在电子水平上对水阻力机理有了更深入的了解。Pearson相关分析证实了水阻力与微观水平模拟之间的联系。本研究阐明了水扩散和分子间相互作用的影响,为聚氨酯防水铺装材料的设计提供了理论依据。
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引用次数: 0
Highly Efficient H2O2 Photosynthesis Coupled with Benzylamine Oxidation Catalyzed by Donor-Acceptor Type Vinylene-Linked Covalent Organic Frameworks 用乙烯-受体共价有机框架催化H2O2与苯胺氧化的高效光合作用
IF 4.6 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129671
Shujie Qiao, Machao Wang, Jun Wang, Mingshuan Yang, Zhiyong Guo, Hongbing Zhan
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引用次数: 0
Tunable mechanical properties and photoinduced reversible solid-to-liquid transitions in high-molecular-weight azopolymers via alkyl tail engineering 基于烷基尾工程的高分子量偶氮聚合物的可调机械性能和光诱导可逆固-液转变
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129667
Zhulu Xie , Dachuan Zhang , Jiawei Jiang , Yuxiao Zhang , Wen-cong Xu , Shuofeng Liang , Si Wu
Photoresponsive azobenzene-containing polymers (azopolymers) exhibiting photoinduced reversible solid-to-liquid transitions show promise for healable materials, reversible adhesives, and nanoimprint lithography. However, balancing robust mechanical properties with efficient photoreponsiveness of azopolymers remains challenging. This work demonstrates a molecular design strategy that combines ring-opening metathesis polymerization (ROMP) to achieve high-molecular-weight entangled azopolymers, with tail-group engineering to modulate mechanical properties and photoinduced reversible solid-to-liquid transitions. Three azopolymers (P1, P2, P3) featuring varied alkyl tail lengths were synthesized via ROMP, resulting in narrow molecular weight distributions and high degrees of polymerization. All three azopolymers exhibit reversible cis-trans photoisomerization. Solid trans azopolymers transform into liquid cis azopolymers through UV-induced trans-to-cis isomerization. Conversely, liquid cis azopolymers revert to solid trans azopolymers via visible light-induced cis-to-trans isomerization. Longer alkyl tails reduced the viscosity of cis azopolymers, enhancing photoinduced solid-to-liquid transition efficiency. Mechanical properties critically depended on azobenzene group aggregation states and polyethylene-like glass transitions governed by alkyl tail length. Consequently, tail-length design enables tuning of tensile strength, elongation, and photoinduced healing capabilities in freestanding films of azopolymers. This study establishes design principles for achieving robust mechanical properties and photoinduced reversible solid-to-liquid transitions simultaneously in azopolymers.
含偶氮苯的光响应性聚合物(偶氮聚合物)表现出光诱导的可逆固-液转变,在可愈合材料、可逆粘合剂和纳米压印光刻方面具有前景。然而,平衡偶氮聚合物强大的机械性能和高效的光响应性仍然是一个挑战。这项工作展示了一种分子设计策略,结合开环复分解聚合(ROMP)来获得高分子量的纠缠偶氮聚合物,并结合尾基工程来调节机械性能和光诱导的可逆固-液转变。通过ROMP法合成了3种不同烷基尾长度的偶氮聚合物P1、P2、P3,分子量分布窄,聚合度高。这三种偶氮聚合物都表现出可逆的顺反光异构化。固体反式偶氮聚合物通过紫外光诱导的反-顺异构化转化为液体顺式偶氮聚合物。相反,液体顺式偶氮聚合物通过可见光诱导的顺式到反式异构化反应还原为固体反式偶氮聚合物。较长的烷基尾降低了顺式偶氮聚合物的粘度,提高了光致固-液转变效率。机械性能主要取决于偶氮苯基聚集态和由烷基尾长度控制的类聚乙烯玻璃转变。因此,尾翼长度的设计使得偶氮聚合物独立薄膜的抗拉强度、伸长率和光诱导愈合能力得以调整。本研究建立了在偶氮聚合物中实现坚固的机械性能和光诱导的可逆固-液转变的设计原则。
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引用次数: 0
Constructing reversible phases through solvent engineering towards activating asynchronous shape morphing and sensing capability of biodegradable polyesters 通过溶剂工程构建可逆相,激活可生物降解聚酯的异步形状变形和传感能力
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129660
Chenguang Jiang , Jing Song , Yuchen Chao , Jiali Jiao , Defeng Wu
Constructing multiple reversible domains is vital for diversifying shape shifting path of shape memory polymer (SMP). Herein, we proposed a solvent-engineering strategy to build the second temporary phase in the dually cross-linked polyester. Poly(l-malic acid-ε-caprolactone) (P(MA-CL)) was synthesized via the esterification of 3-arm PCL and l-malic acid oligomers. Two characteristic crosslinks, covalent ester-bonding and crystalline PCL phase domains, were formed in this polyester thermoset. After being swollen by dimethyl sulfoxide/choline chloride (DMSO/ChCl) solvents, an additional temporary phase, the crystalline DMSO domain, was introduced. The phase transition temperatures of the two crystalline domains differed significantly, and could be tuned easily by altering the swelling ratio of thermoset and DMSO/ChCl ratio. This opened two shape shifting temperature windows, therefore activating asynchronous morphing capability of thermoset. Moreover, the existence of co-solvent ChCl gave the thermal sensing capability to the swollen thermoset, and desirable sensitivity occurred around the phase change temperature of DMSO. Thus, the strategy proposed here is effective for building multiple actuation-controlling units in the polyester thermoset based SMP, in this way to manufacture polyester-based intelligent device with integrated actuating and sensing capabilities.
构建多个可逆畴是形状记忆聚合物(SMP)实现形状转移路径多样化的关键。在此,我们提出了一种溶剂工程策略来建立双交联聚酯的第二临时相。以三臂PCL和l-苹果酸低聚物为原料,合成了聚l-苹果酸-ε-己内酯(P(MA-CL))。在该热固性聚酯中形成了共价酯键和结晶PCL相域两种特征交联。在被二甲亚砜/氯化胆碱(DMSO/ChCl)溶剂膨胀后,引入了一个额外的临时相,即结晶DMSO结构域。两个晶域的相变温度差异很大,可以通过改变热固性膨胀比和DMSO/ChCl比来调节。这打开了两个变形温度窗口,从而激活了热固性材料的异步变形能力。此外,共溶剂ChCl的存在使膨胀型热固性材料具有热感能,并且在DMSO相变温度附近具有理想的灵敏度。因此,本文提出的策略可以有效地在基于聚酯热固性的SMP中构建多个驱动控制单元,从而制造具有驱动和传感能力的基于聚酯的智能装置。
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引用次数: 0
High-temperature dielectric energy storage boosted by electron beam-induced grafting of glycidyl methacrylate onto polypropylene films 电子束诱导甲基丙烯酸缩水甘油酯在聚丙烯薄膜上接枝提高高温介质储能性能
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129670
Shaoyuan Zhong , Xiangchi Liu , Shuo Zheng , Mingxu Lv , Qiang Wang , Jingyu Song , Shulin Sun
Polymer dielectric films characterized by high energy efficiency and high energy density have been widely used in the energy storage field. However, traditional commercial dielectric films such as biaxially oriented polypropylene (BOPP) are difficult to meet the growing demands of advanced capacitors in high-temperature environments. In this study, glycidyl methacrylate (GMA) was grafted onto the polypropylene (PP) molecular chain using electron beam irradiation and grafting melt to prepare the PP-g-PGMA films, which significantly enhance its dielectric energy storage performance. The experimental results indicate that for the optimum PP-g-PGMA-1.0 % film, the discharge energy reaches up to 5.64 J/cm3 with an efficiency of 96.8 % at 580 MV/m. Compared to pure PP (2.13 J/cm3, η = 98.5 %), it is enhanced by 148 % and while achieves an optimized balance between energy storage density and efficiency. Density functional theory (DFT) simulations further demonstrate that irradiation-grafted films introduce deep traps to capture electrode-injected charge and hole carriers, effectively mitigating electric field distortion. Additionally, at 120 °C, PP-g-PGMA-1.0 % maintains a high energy density (3.87 J/cm3), which is 140 % higher than that of pure PP film (1.53 J/cm3). Therefore, this work offers a useful method for the development of polypropylene-based dielectric materials in high-temperature environments.
聚合物介质薄膜具有高能效和高能量密度的特点,在储能领域得到了广泛的应用。然而,传统的商用介质薄膜如双轴取向聚丙烯(BOPP)难以满足高温环境下先进电容器日益增长的需求。本研究利用电子束辐照和接枝熔体将甲基丙烯酸缩水甘油酯(GMA)接枝到聚丙烯(PP)分子链上,制备了PP-g- pgma薄膜,显著提高了其介电储能性能。实验结果表明,最佳的pp -g- pgma - 1.0%的膜在580 MV/m时,放电能量达到5.64 J/cm3,效率为96.8%。与纯PP (2.13 J/cm3, η = 98.5%)相比,提高了148%,同时达到了储能密度和效率之间的最佳平衡。密度泛函理论(DFT)模拟进一步表明,辐照接枝膜引入了深阱来捕获电极注入的电荷和空穴载流子,有效地减轻了电场畸变。此外,在120°C时,PP-g- pgma - 1.0%的能量密度保持在3.87 J/cm3,比纯PP膜(1.53 J/cm3)高140%。因此,这项工作为高温环境下聚丙烯基介电材料的开发提供了一种有用的方法。
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引用次数: 0
Evidence for one-pot organotellurium-mediated living radical polymerization by ditelluride and azo initiating system 双碲化物偶氮引发体系催化有机碲自由基聚合的证据
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-28 DOI: 10.1016/j.polymer.2026.129657
Xiaopei Li , Wenjuan Li , Mengwei Tian , Lu Li , Xiaowen Zhang , Zhengyang Hou , Jie Zhang , Lantao Liu , Dongdong Zhang
The one-pot organotellurium-mediated living radical polymerization (TERP) using diphenylditelluride (TePh)2 and 2,2-azobis(isobutyronitrile) (AIBN) or 2,2'-(diazene-1,2-diyl) bis (2,4-di methyl -pentanenitrile) (V65) was reported synthesis of polyacrylates under photo condition. The polymerization achieved over 90 % monomer conversion while maintaining well control over molecular weight (Mn) and molecular weight distribution (Đ). High molecular weight (>30000) polymers were successfully synthesized, including homopolymer, diblock copolymers and triblock copolymers (first time by using one-pot TERP) with controlled molecular weight and molecular weight distribution. The polymerization process was firstly investigated and it notes that this method enables high efficiency (>92 %) in situ generation of chain transfer agents (CTA) of TERP from ditelluride and azo compounds. The regulation of polymer molecular weight dispersity can be achieved by adjusting the azo/(TePh)2 ratio, a critical feature for meeting specific polymer design requirements.
以二苯二碲化物(TePh)2和2,2-偶氮(异丁腈)(AIBN)或2,2'-(二氮-1,2-二基)双(2,4-二甲基戊腈)(V65)为原料,采用一锅有机碲介导的活性自由基聚合(TERP)在光条件下合成了聚丙烯酸酯。聚合实现了90%以上的单体转化率,同时保持了对分子量(Mn)和分子量分布(Đ)的良好控制。成功合成了分子量可控、分子量分布可控的高分子量聚合物(>30000),包括均聚物、二嵌段共聚物和三嵌段共聚物(首次采用一锅TERP法)。首先对聚合过程进行了研究,并指出该方法可以高效率(> 92%)从二碲化物和偶氮化合物原位生成TERP链转移剂(CTA)。通过调节偶氮/(TePh)2的比率,可以调节聚合物的分子量分散性,这是满足特定聚合物设计要求的关键特征。
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引用次数: 0
Polymer-dispersed liquid crystals with low driving voltage and high peel strength based on siloxane-functionalized acrylates 基于硅氧烷功能化丙烯酸酯的低驱动电压高剥离强度聚合物分散液晶
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-27 DOI: 10.1016/j.polymer.2026.129656
Hongbo Lu , Yaodong Feng , Yue Zhao , Hao Bai , Lei Chen , Miao Xu
Polymer-dispersed liquid crystals (PDLC) show great application potential in the areas of smart windows and displays. However, the driving voltage and peel strength still need further improvement. This study systematically examined how siloxane-functionalized acrylate monomers influence the electro-optical and mechanical properties of PDLC by analyzing the electro-optical behavior, micro morphology, and mechanical characteristics. The results indicate that the migration of siloxane-functionalized acrylate monomers at the interface can lower the driving voltage and increase the peel strength of the PDLC film. For a 20 μm-thick film, compared to a sample without added siloxane-functionalized acrylate monomer, the saturation voltage (Vsat) decreased by about 37.3 % to 27.1 V. At the same time, the peel strength increased by approximately 60.2 % to 28.2 N/m. Furthermore, the peel strength was further increased to 35.1 N/m after UV-ozone modification of the substrate. This study is anticipated to provide a new approach to optimizing the performance of PDLC films for practical applications.
聚合物分散液晶(PDLC)在智能窗口和显示领域显示出巨大的应用潜力。但驱动电压和剥离强度仍需进一步提高。本研究通过分析硅氧烷功能化丙烯酸酯单体的电光行为、微观形貌和力学特性,系统地研究了硅氧烷功能化丙烯酸酯单体对PDLC电光和力学性能的影响。结果表明,硅氧烷功能化丙烯酸酯单体在界面处的迁移可以降低驱动电压,提高PDLC膜的剥离强度。对于20 μm厚的薄膜,与未添加硅氧烷功能化丙烯酸酯单体的样品相比,饱和电压(Vsat)下降了37.3%,为27.1 V。同时,剥离强度提高约60.2%,达到28.2 N/m。紫外-臭氧改性后,基材的剥离强度进一步提高到35.1 N/m。该研究有望为优化PDLC薄膜的实际应用提供一种新的方法。
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引用次数: 0
Enhancing the durability and chlorine-resistance of thin-film composite polyamide membrane via redox-initiated graft polymerisation with ascorbic acid and antibacterial ZnO nanoparticles 抗坏血酸和抗菌ZnO纳米粒子氧化还原引发接枝聚合增强薄膜复合聚酰胺膜的耐久性和耐氯性
IF 4.5 2区 化学 Q2 POLYMER SCIENCE Pub Date : 2026-01-27 DOI: 10.1016/j.polymer.2026.129658
Huong Thi Mai Lai , Anh Thi Kieu Vo , Vuong Duy Nguyen , Son Thi Nguyen , Ngoc Thi Bich Vu , Thu Hong Anh Ngo
Thin-film composite polyamide (TFC/PA) membranes are widely applied in water treatment but remain limited by fouling, biofouling, and chlorine-induced degradation. To address the above disadvantages, this work modified TFC/PA membranes via redox-initiated graft polymerisation of hydrophilic Ascorbic acid (AsA) combined with antibacterial zinc oxide nanoparticles (ZnONPs). Structural and surface characterisation using scanning electron microscopy with energy-dispersive X-ray spectrometry (SEM-EDX), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), and water contact angle (WCA) measurements confirmed the successful incorporation of AsA and ZnONPs. These analyses demonstrated a significant increase in surface hydrophilicity, as evidenced by the decrease in WCA from 49.5° to 35.8° and 33.6°. Filtration experiments demonstrated that the grafted membranes maintained stable sodium chloride retention (95.5 %), exhibited a higher flux ratio, and showed a lower irreversible fouling factor than the TFC/PA membrane. Importantly, the ZnONPs/AsA-grafted membrane displayed strong antibacterial activity against both Gram-negative and Gram-positive bacteria, sustaining filtration performance even after 4 days of bacterial exposure. Thus, the antifouling and anti-biofouling properties of the grafted membrane were enhanced. Moreover, the grafted membrane maintained its separation performance after immersion in NaClO solutions up to 15,000 ppm h, indicating superior chlorine resistance compared with the TFC/PA membrane. Overall, this work introduces a novel approach using AsA and ZnONPs to enhance antifouling, anti-biofouling, and chlorine resistance, offering promising potential for TFC/PA membranes in water treatment applications.
薄膜复合聚酰胺(TFC/PA)膜在水处理中得到了广泛的应用,但仍受到污染、生物污染和氯致降解的限制。为了解决上述缺点,本研究通过氧化还原引发的亲水性抗坏血酸(AsA)与抗菌氧化锌纳米粒子(ZnONPs)的接枝聚合对TFC/PA膜进行了改性。利用扫描电子显微镜与能量色散x射线光谱(SEM-EDX)、衰减全反射傅立叶变换红外光谱(ATR-FTIR)和水接触角(WCA)测量进行的结构和表面表征证实了AsA和ZnONPs的成功结合。这些分析表明,表面亲水性显著增加,WCA从49.5°下降到35.8°和33.6°。过滤实验表明,与TFC/PA膜相比,接枝膜保持了稳定的氯化钠滞留率(95.5%),通量比更高,不可逆污染因子更低。重要的是,ZnONPs/ asa接枝膜对革兰氏阴性菌和革兰氏阳性菌均表现出很强的抗菌活性,即使在细菌暴露4天后也能保持过滤性能。从而提高了接枝膜的防污和抗生物污染性能。此外,接枝膜在NaClO溶液中浸泡高达15,000 ppm.h后仍保持其分离性能,表明与TFC/PA膜相比,接枝膜具有更强的抗氯性能。总的来说,这项工作介绍了一种使用AsA和ZnONPs来增强抗污、抗生物污和抗氯性的新方法,为TFC/PA膜在水处理中的应用提供了广阔的潜力。
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引用次数: 0
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