IF 4.6 2区化学

Polymer Pub Date : 2025-10-06 DOI: 10.1016/j.polymer.2025.129192

Mingge Zhao, Junhan Cho

{"title":"Polyvinylpyrrolidone/Ionic Liquid Mixture with Loop-type Phase Behavior: Experiments and Molecular Dynamics Simulations","authors":"Mingge Zhao, Junhan Cho","doi":"10.1016/j.polymer.2025.129192","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.129192","url":null,"abstract":"Dual thermoresponsive systems provide greater adaptability for advanced applications than their single-responsive counterparts. Among them, polymer/ionic liquid (IL) mixtures have shown exceptional thermal responsiveness. In this study, we systematically investigate the phase behavior of polyvinylpyrrolidone (PVP) in the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF4). PVP/BMIMBF4 films were prepared and analyzed using differential scanning calorimetry (DSC) and light scattering, with a focus on temperature and polymer concentration effects. The system exhibits an unusual loop-type phase behavior, characterized by the presence of both a lower critical solution temperature (LCST) and an upper critical solution temperature (UCST). To elucidate the molecular mechanism underlying this behavior, molecular dynamics (MD) simulations were performed using the OPLS5 all-atom force field. The simulations revealed a thermally induced conformational transition of PVP chains in BMIMBF4, progressing from gradual collapse to re-extension. Structural parameters and phase-separation cluster visualizations confirmed this transition, while free volume analysis further supported the loop-type phase behavior. These findings offer new insights into the rational design and development of advanced smart materials with tunable properties.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"86 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145234963","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 and properties of konjac glucomannan/P(N-isopropylacrylamide-crotonic acid) hydrogel 魔芋葡甘露聚糖/P（n -异丙基丙烯酰胺-巴豆酸）水凝胶的制备及性能研究

IF 4.6 2区化学

Polymer Pub Date : 2025-10-06 DOI: 10.1016/j.polymer.2025.129181

Yajie Ding, Hua Ma, Chaoze Ji, Dingxiang Wei, Hongzhou Shang, Lihua Liu, Ning Qiao

{"title":"Preparation and properties of konjac glucomannan/P(N-isopropylacrylamide-crotonic acid) hydrogel","authors":"Yajie Ding, Hua Ma, Chaoze Ji, Dingxiang Wei, Hongzhou Shang, Lihua Liu, Ning Qiao","doi":"10.1016/j.polymer.2025.129181","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.129181","url":null,"abstract":"A pH and temperature dual-responsive KGM/P(NIPAM-CA) hydrogel drug carrier was prepared by using natural polysaccharide konjac glucomannan (KGM), pH-sensitive monomer crotonic acid (CA), and temperature-sensitive monomer N-isopropylacrylamide (NIPAM). The effect of mass ratio of NIPAM to KGM on the properties of KGM/P(NIPAM-CA) hydrogels was studied by a range of testing methods. The drug loading and release properties of KGM/P(NIPAM-CA) hydrogel were investigated using 5-fluorouracil (5-FU) as a model drug. Results show that KGM/P(NIPAM-CA) exhibits good swelling and mechanical properties determined by its composition. As a drug carrier KGM/P(NIPAM-CA) hydrogel demonstrated a maximum encapsulation efficiency of 30.17% and a maximum drug loading capacity of 54.41% for 5-FU at 25°C. In simulated colonic fluid (SCF) at 25°C, the cumulative drug release rate of KGM/P(NIPAM-CA) reached 58.86% within 48 hours, which was 1.8 times higher than that in simulated gastric fluid (SGF). Furthermore, the hydrogel demonstrated biocompatibility, with a hemolysis rate of less than 3% and a cell viability exceeding 90%. These results establish KGM/P(NIPAM-CA) as a promising, biocompatible platform for stimuli-responsive, colon-targeted drug delivery.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"19 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145234964","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

4-(Benzimidazolisonitrosoacetyl)biphenyl modified chitosan and its copper complex: Synthesis and electrorheological properties 4-（苯并咪唑异硝基乙酰基）联苯改性壳聚糖及其铜配合物：合成及其电流变特性

IF 4.6 2区化学

Polymer Pub Date : 2025-10-03 DOI: 10.1016/j.polymer.2025.129177

Faruk Kayapa, Fatma Karipcin, Mürüvvet Begüm Özen, Ömer Yunus Gümüş, Halil Ibrahim Unal

引用次数: 0

Highly Sensitive yet Strain-Insensitive Flexible Pressure Sensors Based on MWCNTs/TPU Composites for Wide-Temperature-Range Applications 基于宽温度范围应用的MWCNTs/TPU复合材料的高灵敏度应变不敏感柔性压力传感器

IF 4.6 2区化学

Polymer Pub Date : 2025-10-03 DOI: 10.1016/j.polymer.2025.129175

Lixia Li, Jinzhong Ren, Lijing Han, Haoming Zhu, Xierzhati Aimaier, Li Fang, Haiqing Hu, Botao Zhang, Ruoyu Zhang

{"title":"Highly Sensitive yet Strain-Insensitive Flexible Pressure Sensors Based on MWCNTs/TPU Composites for Wide-Temperature-Range Applications","authors":"Lixia Li, Jinzhong Ren, Lijing Han, Haoming Zhu, Xierzhati Aimaier, Li Fang, Haiqing Hu, Botao Zhang, Ruoyu Zhang","doi":"10.1016/j.polymer.2025.129175","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.129175","url":null,"abstract":"Strain-insensitive flexible pressure sensors can conform to dynamically changing and complex surfaces while avoiding pressure-strain coupling artifacts, making them highly valuable for applications such as monitoring human body activities. However, despite various fabrication methods that have been proposed, large-scale manufacturing remains associated with high cost and low efficiency, and the resulting devices may lose functionality in low-temperature environments. In this study, a large-area MWCNTs/TPU sensor layer was fabricated using a sandpaper template combined with a flame-assisted spray technique, achieving low cost and high sensitivity. A high-modulus polyimide@Au (PI@Au) electrode layer was integrated with a low-modulus, highly elastic, and anti-freezing polyurethane substrate. The resulting sensor exhibits ultrahigh sensitivity (∼629.9 kPa-1 in the range of 0.3–28 kPa), a fast response time (10 ms), and excellent stability over 1000 repeated cycles. It maintains high sensing accuracy across 0%–50% strain, with sensitivity variations of only ∼5.2 %, ∼4.1 %, and ∼3.6 % between the 0% and 50% strain states in the low-pressure (0.3–28 kPa), medium-pressure (28–80 kPa), and high-pressure (80–320 kPa) ranges, respectively. Reliable signal detection is preserved even at −20 °C under up to 50% strain. This work is expected to facilitate the application of stretchable pressure sensors on deformable interfaces and expand their operational temperature range.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"45 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216255","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

Comparative study of dynamic vulcanization strategies for polylactic acid/polybutylene adipate terephthalate blends based on interfacial molecular dynamics investigations 基于界面分子动力学研究的聚乳酸/聚己二酸丁二酯共混物动态硫化策略比较研究

IF 4.6 2区化学

Polymer Pub Date : 2025-10-03 DOI: 10.1016/j.polymer.2025.129176

Shukang Zhou, Nanshan Wu, Yuxiang Li, Miaom Huang, Wanlin Xu, Suqin He, Xin Li, Hongzhi Liu, Wentao Liu, Hao Liu

引用次数: 0

A low loading synergistic flame retardant rigid polyurethane foam with high mechanical retention after combustion 低负荷增效阻燃硬质聚氨酯泡沫，燃烧后机械保持率高

IF 4.6 2区化学

Polymer Pub Date : 2025-10-02 DOI: 10.1016/j.polymer.2025.129170

Feiyu Cao, Xiaoqi Zhang, Haoyu Yang, Miaoming Huang, Wanlin Xu, Hao Liu, Wentao Liu

{"title":"A low loading synergistic flame retardant rigid polyurethane foam with high mechanical retention after combustion","authors":"Feiyu Cao, Xiaoqi Zhang, Haoyu Yang, Miaoming Huang, Wanlin Xu, Hao Liu, Wentao Liu","doi":"10.1016/j.polymer.2025.129170","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.129170","url":null,"abstract":"Flame retardant property is crucial in practical application of rigid polyurethane foam. Other studies have indicated that incorporating flame retardants at high concentrations (15-25 wt%) is required to achieve the desired flame-retardant effect, with a pronounced strength reduction observed after burning. Modified expanded graphite (KEG) (1-3 wt%) compounded with dimethyl methylphosphonate (DMMP) as a synergistic flame retardant to foam system. The synthesized foams were subjected to cone calorimetry, vertical combustion tests, and physical properties such as compression properties and density and thermal conductivity of the foams. The results showed that the KEG/DMMP composite system was able to significantly enhance the flame retardancy of polyurethane foams at a lower addition amount, This enhancement was manifested in a marked increase in the oxygen index (LOI) and a substantial reduction in the heat release rate (HRR). Meanwhile, the introduction of KEG enhances the mechanical properties of polyurethane foam with minimal impact on pore structure, and still maintain high mechanical retention after combustion, demonstrating its stability and feasibility in foam systems. This study provides a new insight for developing highly efficient, low-additive flame-retardant polyurethane foams.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"73 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145203188","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

Remanent deformation and local stiffening induced by electric field in low glass transition epoxy-amine polymer network doped with ionic liquid 离子液体掺杂低玻璃化过渡环氧胺聚合物网络中电场诱导的残余变形和局部硬化

IF 4.6 2区化学

Polymer Pub Date : 2025-10-01 DOI: 10.1016/j.polymer.2025.129169

Gildas Coativy, Laurence Seveyrat, Véronique Perrin, Djasma Djoumoi, David Albertini, Joël Courbon, Hidemasa Takana, Jean-Yves Cavaillé, Kanykei Ryskulova, Sébastien Livi, Florent Dalmas

{"title":"Remanent deformation and local stiffening induced by electric field in low glass transition epoxy-amine polymer network doped with ionic liquid","authors":"Gildas Coativy, Laurence Seveyrat, Véronique Perrin, Djasma Djoumoi, David Albertini, Joël Courbon, Hidemasa Takana, Jean-Yves Cavaillé, Kanykei Ryskulova, Sébastien Livi, Florent Dalmas","doi":"10.1016/j.polymer.2025.129169","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.129169","url":null,"abstract":"Room temperature ionic liquids (RTILs) can behave like solids as the result of their ordering in the vicinity of substrates or confining in porous membranes. In this work, we have used this specific property to fabricate soft electroactuators in which deformation can be maintained after removal of the electric field. Epoxy-amine doped with 5%wt of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMIM TFSI) was processed. The study of bending under a constant electric field of E=0.1 MV/m shows slow deformation kinetics as a function of time. Interestingly, when the electric field is removed, around 80% of the displacement is maintained for at least a day. The reversibility of this phenomenon was checked by successively applying positive and negative electric fields. It shows that complex successive electro-mechanical cycles can be performed without performance degradation (i.e. the sample reaches the same bending amplitude). Besides, energy dispersive X-ray spectroscopy was used to map the bis(trifluoromethylsulfonyl)imide counter anion before and after the application of the electric field and revealed the presence of a persistent anionic rich layer near the positive electrode after removing the electric field. This result was also supported by atomic force microscopy, which revealed an improvement in sample stiffness near the positive electrode. It explains the observed remanent deformation and opens up prospects for the processing of materials whose stiffness can be controlled by applying an electric field.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"6 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195392","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 benzoxazines designed with disulfide-imine networks 用二硫化物-亚胺网络设计高性能苯并恶嗪

IF 4.5 2区化学

Polymer Pub Date : 2025-10-01 DOI: 10.1016/j.polymer.2025.129173

Yujun Li , Qinglong An , Shuang Chen , Jinning Zhang , Huihui Liu , Shuyang Shao , Lixian Yin , Zhi Wang

{"title":"High-performance benzoxazines designed with disulfide-imine networks","authors":"Yujun Li , Qinglong An , Shuang Chen , Jinning Zhang , Huihui Liu , Shuyang Shao , Lixian Yin , Zhi Wang","doi":"10.1016/j.polymer.2025.129173","DOIUrl":"10.1016/j.polymer.2025.129173","url":null,"abstract":"<div><div>To address the challenges of limited degradation of benzoxazine resins, incorporating reversible covalent bonds into their crosslinked network offer a promising solution. However, a single dynamic bond often fails to provide sufficient dynamic properties. In this study, we introduce two distinct dynamic covalent bonds-imine and disulfide-into vanillin-derived benzoxazine resins to enhance their dynamic characteristics. These resins exhibit significantly reduced stress relaxation times (140 °C, 30 s), robust post-processing capabilities (140 °C, 10 MPa, 20 min), excellent thermal stability (54.4 % char yield at 800 °C), and superior degradability compared to conventional benzoxazine counterparts. While a single dynamic bond (S–S or C<img>N) enables resin degradation within 24 h, the dual dynamic bond system achieves complete dissolution in just 16 h. The study reveals that initial dissociation of the S–S bond reduces the cross-link density of PVf-4AFD, facilitating the dissociation of C<img>N bonds. This synergy, while preserving the material's mechanical and thermal properties, accelerates the degradation process. This work advances the development of sustainable thermoset polymers by establishing a bi-dynamic crosslinked network, effectively balancing degradation rate, storage modulus, and thermal properties. The approach enables efficient reprocessing without compromising performance, providing a versatile strategy for designing degradable and recyclable benzoxazine resins.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"339 ","pages":"Article 129173"},"PeriodicalIF":4.5,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145203189","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

Study on the mechanism of hydrogen bond to construct PP/ETFE Co-crystalline supramolecules and its space charge characteristics 氢键构建PP/ETFE共晶超分子机理及其空间电荷特性研究

IF 4.5 2区化学

Polymer Pub Date : 2025-10-01 DOI: 10.1016/j.polymer.2025.129168

Lili Li , Yuzhe Li , Yulong Wang , Shuang Han , Jiangxu Li , Junguo Gao

{"title":"Study on the mechanism of hydrogen bond to construct PP/ETFE Co-crystalline supramolecules and its space charge characteristics","authors":"Lili Li , Yuzhe Li , Yulong Wang , Shuang Han , Jiangxu Li , Junguo Gao","doi":"10.1016/j.polymer.2025.129168","DOIUrl":"10.1016/j.polymer.2025.129168","url":null,"abstract":"<div><div>As a new-generation cable insulation material, polypropylene (PP) has received much attention and replaced crosslinked polyethylene. However, the space charge accumulation under high fields still needs to be improved to ensure the safe operation of high-voltage direct current (HVDC) cables. Here, PP was chemically grafted with propenoxy-2-hydroxybenzophenone (AHB) to form PP-g-AHB, and ethylene tetrafluoroethylene copolymer (ETFE) was chemically grafted with glycerol (GL) to obtain ETFE-g-GL. Then PP/ETFE co-crystalline supramolecules were prepared via melt blending. The effect of hydrogen bonds on the space charge inhibition of PP/ETFE co-crystalline supramolecules was investigated using molecular dynamics simulation of differential charge density, energy band, and trap energy level combined with microstructure characterization. Simulations and experiments show that PP-g-AHB and ETFE-g-GL can form PP/ETFE co-crystalline supramolecules very well, owing to the existence of hydrogen bonds. When the mass fraction of PP-g-AHB is 80 %, the cocrystallization size of PP/ETFE supramolecules maximizes to 390 ± 10 μm. Under the action of direct current source, the carrier mobility of PP/ETFE co-crystalline supramolecules is as low as 7.94 × 10−13m2/(V.s), and the space charge is dominated by heteropolarity, when the average charge density minimizes to 0.08 C/m3. So far, the charge transport characteristics of PP/ETFE co-crystalline supramoleculars have been significantly improved using hydrogen bonds as a bridge. This study lays a foundation for the application of PP in HVDC cable insulation.</div></div>","PeriodicalId":405,"journal":{"name":"Polymer","volume":"339 ","pages":"Article 129168"},"PeriodicalIF":4.5,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195344","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

Machine learning prediction of heat capacity of polymers as a function of temperature 机器学习预测聚合物的热容量作为温度的函数

IF 4.6 2区化学

Polymer Pub Date : 2025-10-01 DOI: 10.1016/j.polymer.2025.129171

Kazuhiko Ishikiriyama

{"title":"Machine learning prediction of heat capacity of polymers as a function of temperature","authors":"Kazuhiko Ishikiriyama","doi":"10.1016/j.polymer.2025.129171","DOIUrl":"https://doi.org/10.1016/j.polymer.2025.129171","url":null,"abstract":"Machine learning models were developed using the high-quality ATHAS (Advanced Thermal Analysis System) data bank to predict the constant-pressure heat capacity (CP) of polymers at 10 K intervals from 10 to 500 K. Molecular fingerprints (FPs) were used as features; specifically, circular Morgan fingerprints with a bond diameter of 4 derived from the repeating structural units of polymers. For polymers contained in the ATHAS data bank (e.g., polypropylene and polyamide 6), the predicted CP values showed mean relative errors (MREs) within ±3%. In contrast, for polymers absent from the data bank—including poly(p-dioxanone), poly(N-vinylpyrrolidone), and starch—a positive correlation was observed between MRE and the number of missing substructures (Nms), defined as hashed identifiers present in the target polymer but absent from the ATHAS-derived feature space. Using this correlation, CP predictions for polymers with Nms > 0 were adjusted, reducing the MREs to within ±3%. To improve accuracy, additional models employing alternative FPs were built: polyBERT FP, generated from a pre-trained BERT-based chemical language model, and OMG FP and SMiPoly FP, derived from the virtual polymer libraries OMG and SMiPoly. For polymers with Nms > 0, all alternative FPs yielded lower MREs than uncorrected Morgan fingerprints. The lowest MREs were achieved using a hybrid FP constructed from OMG and 10% of the SMiPoly dataset, demonstrating enhanced extrapolative performance. Due to computational limits, molecular dynamics struggles to capture this temperature dependence, whereas trained machine learning models may rapidly predict it for many polymers, suggesting their potential as a practical alternative.","PeriodicalId":405,"journal":{"name":"Polymer","volume":"214 1","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145203190","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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