ACS Applied Polymer Materials最新文献_第2页

Dielectric Properties of Silicone Resins from Substituent Effects to High-Temperature Structural Evolution 从取代基效应到高温结构演化的有机硅树脂介电性能研究

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-12 DOI: 10.1021/acsapm.6c03226

Youyi Wang, Xiaofei Zhu, Kaijia Shao, Yi Luo, Yu Cao, Hongxiang Cai, Bo Niu, Donghui Long

{"title":"Dielectric Properties of Silicone Resins from Substituent Effects to High-Temperature Structural Evolution","authors":"Youyi Wang, Xiaofei Zhu, Kaijia Shao, Yi Luo, Yu Cao, Hongxiang Cai, Bo Niu, Donghui Long","doi":"10.1021/acsapm.6c03226","DOIUrl":"https://doi.org/10.1021/acsapm.6c03226","url":null,"abstract":"Silicone resins are highly desirable matrix materialsfor high-temperaturewave transparent applications. However, the evolutionary correlationsspanning from ambient substituent architectures to dynamic high-temperaturestructural transitions remain elusive, and their precise atomic-levellinks to macroscopic dielectric responses have yet to be fully unraveled.Herein, we innovatively establish a closed-loop investigative frameworkintegrating multiscale simulations (DFT and ReaxFF MD) with experimentcharacterizations, which explicitly decoupled the structural originsof these dielectric behaviors: the dielectric constant (ε) underambient condition is fundamentally dominated by the fractional freevolume (FFV), whereas the dielectric loss tangent (tan δ)is governed by side-group localized motion friction. Consequently,the vinyl-substituted resin exhibits exceptionally low dielectricparameters (∼3.16), driven by its maximized FFV (15.26%) forspatial dilution and flexible side groups. Furthermore, the high temperaturedielectric degradation mechanisms are discovered for the first time.Specifically, the progressive transformation of the siloxane backbonefrom low-polarizability D units (C2SiO2/2, 0.37)into highly polarizable inorganic Q units (SiO4/2, 0.52)directly drives the continuous elevation of ε. Concurrently,the sharp surge in tan δ above 800 °C stems fromthe aggregation of free carbon into continuous conductive pathways,which elevates electrical conductivity from 10–11 to nearly 10–2 S/cm and severely intensify conductivedissipation. This study provides robust theoretical guidance for designingreliable structural-functional integrated aerospace dielectric materials.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18596–18606"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282043","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

Dual-Action Synergistic Enhancement of Photothermoelectric Properties of Flexible PEDOT:PSS/CsxWO3 Composite Films 柔性PEDOT:PSS/CsxWO3复合薄膜光热电性能的双作用协同增强

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-13 DOI: 10.1021/acsapm.6c03048

Nuonan Guo, Jinhua Xiong, Xiaofang Liu, Haibo Wang, Cheng Liu, Zhihong Chen, Hao Jiang, Jianyun Zhuang, Mengting Liu, Jing Liu, Lingping Xiao, Jingkun Xu, Fengxing Jiang

{"title":"Dual-Action Synergistic Enhancement of Photothermoelectric Properties of Flexible PEDOT:PSS/CsxWO3 Composite Films","authors":"Nuonan Guo, Jinhua Xiong, Xiaofang Liu, Haibo Wang, Cheng Liu, Zhihong Chen, Hao Jiang, Jianyun Zhuang, Mengting Liu, Jing Liu, Lingping Xiao, Jingkun Xu, Fengxing Jiang","doi":"10.1021/acsapm.6c03048","DOIUrl":"https://doi.org/10.1021/acsapm.6c03048","url":null,"abstract":"Photothermoelectric (PTE) devices with wide spectralresponse characteristicsprovide an effective way to capture low-grade solar energy and havebroad application prospects in the field of flexible microenergy collection.Poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS)has become a competitive candidate material for flexible PTE functionallayers due to its excellent solution processing, mechanical flexibility,and electrical stability. However, the low photoelectric conversionefficiency of PEDOT:PSS limits its further application. In this work,PEDOT:PSS/CsxWO3 compositefilms combining excellent flexibility and photothermoelectric performancewere fabricated via vacuum-assisted filtration. The increase in surfaceroughness induced by CsxWO3 nanoparticles and the Mie scattering effect significantly enhancethe broadband light absorption of the film in the UV-Vis-NIR bands.At the same time, the energy barrier formed at the organic–inorganicinterface triggers an energy filtering effect, optimizing the carriertransport properties. The PEDOT:PSS/CsxWO3 composite film with a CsxWO3 loading of 3 wt.% achieved a Seebeckcoefficient of 25.56 μV K–1 and a power factorof 42.28 μW m–1 K–2, representingan approximately 2-fold enhancement compared to the pure PEDOT:PSSfilm. Furthermore, the 3 wt.% CsxWO3 composite film exhibited significantly enhancedphotovoltage responses under multiwavelength laser irradiation andmaintained stable voltage output after repeated bending and stretchingcycles.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18507–18516"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282091","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

Poly(lactic Acid)-Regulated Hydration Balances Stiffness and Energy Dissipation in Cellulose-Alginate Porous Networks 聚乳酸调节水合作用平衡纤维素-海藻酸盐多孔网络的刚度和能量耗散

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-12 DOI: 10.1021/acsapm.6c03633

Shiqi Yue, Yuqi Yang, Jinsheng Gou

{"title":"Poly(lactic Acid)-Regulated Hydration Balances Stiffness and Energy Dissipation in Cellulose-Alginate Porous Networks","authors":"Shiqi Yue, Yuqi Yang, Jinsheng Gou","doi":"10.1021/acsapm.6c03633","DOIUrl":"https://doi.org/10.1021/acsapm.6c03633","url":null,"abstract":"Humidity-induced plasticization limits the mechanicalreliabilityof porous polysaccharide networks, yet how water organization influencestheir compressive response under humid conditions remains insufficientlyresolved. Here, oxidized cellulose nanofibers derived from waste paperwere assembled with sodium alginate into a calcium-cross-linked porousscaffold and subsequently impregnated with poly(lactic acid) (PLA).PLA incorporation produced an apparent water contact angle of 107.3°and reduced moisture uptake during 24 h exposure to humid air. Followingconditioning at approximately 30% relative humidity (RH) for 24 h,compressive stiffness and volumetric energy absorption increased withPLA impregnation concentration. SCFP-12.5 exhibited the highest values,whereas SCFP-10 achieved a volumetric energy absorption of 465.32± 35.00 kJ m–3 at 50% strain. Relative to thedried state, conditioning at approximately 30% RH increased the specificenergy absorption of all three formulations, whereas further increasesto approximately 58% and 97% RH reduced energy absorption. However,the difference between SCFP-10 and SCFP-12.5 narrowed at 97% RH. Giventheir similar 24 h moisture uptake, SCFP-10 was selected because itcombined lower density and thermal conductivity with good mechanicalperformance. Qualitative molecular dynamics simulations indicatedpreferential hydration of alginate-rich regions, changes in waterdomain organization after PLA incorporation, and an overall tendencytoward reduced long-range water mobility. Taken together, the experimentalobservations and simulation trends are consistent with a proposedPLA-mediated hydration regulation mechanism in which structural reinforcementand changes in water organization jointly influence the mechanicalresponse under humid conditions. These findings provide a frameworkfor regulating the relationship among structure, hydration, and mechanicsin renewable porous cushioning materials.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18800–18814"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149251349","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

Rigid–Flexible Supramolecular Polyurethane Elastomers for Efficient Photothermal Deicing 用于高效光热除冰的刚柔超分子聚氨酯弹性体

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-09-30 DOI: 10.1021/acsapm.6c01875

Yang Wang, Jingru Wang, Le Guo, Yuwen Wang, Bowei Che, Dong Li, Chenzhengzhe Yan

{"title":"Rigid–Flexible Supramolecular Polyurethane Elastomers for Efficient Photothermal Deicing","authors":"Yang Wang, Jingru Wang, Le Guo, Yuwen Wang, Bowei Che, Dong Li, Chenzhengzhe Yan","doi":"10.1021/acsapm.6c01875","DOIUrl":"https://doi.org/10.1021/acsapm.6c01875","url":null,"abstract":"Ice accretion on outdoor infrastructure can severelycompromiseoperational safety and service reliability, creating a strong demandfor energy-efficient deicing materials. Conventional photothermalpolymers, however, often suffer from an inherent trade-off betweenmechanical robustness and functional performance, and many also showlimited self-healing ability and poor recyclability. Here, we reporta rigid–flexible polyurethane elastomer (TPEA) enabled by asupramolecular cooperative design. Distinct from conventional approachesthat rely on homogeneous segmental associations, our strategy deliberatelyexploits the intrinsically lower binding energy between flexible andrigid segments, which thermodynamically drives the formation of mismatchedintersegment contacts rather than self-association of identical segments.Dynamic hydrogen-bonding motifs derived from adipic dihydrazide (AD)were combined with a rigid cross-linked framework introduced by 2,4,6-triaminopyrimidine(TAP), thereby integrating structural stability, energy dissipation,and reversible intermolecular interactions within one network. Theoptimized elastomer exhibits a tensile strength of 3.05 MPa, an elongationat break of 8195%, and a healing efficiency of up to 98%, while remainingrecyclable through dissolution in DMF followed by solution recasting.To further impart photothermal functionality, carbon nanotubes (CNT)and reduced graphene oxide (rGO) were incorporated to construct asynergistic 1D/2D thermally conductive network. Under 1 sun simulatedirradiation, the resulting TPEA-CNT/rGO composite achieved a deicingratio of 95.9% for a 4 mm ice layer within 20 min, showing promisefor efficient active deicing applications. These results establisha practical molecular design strategy for multifunctional polyurethaneelastomers that combine mechanical resilience, healability, recyclability,and photothermal deicing performance.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18098–18109"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149251358","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

Achieving Orange-Red Electrofluorochromism via Aromatic Side-Chain Engineering of Triphenylamine-Cyanostilbene Polymers 三苯胺-氰二苯乙烯聚合物芳香族侧链工程实现橘红色电荧光

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-12 DOI: 10.1021/acsapm.6c02978

Qi Sun, Jinlu Zhang, Shikun Zhang, Yebin Yu, Peidong Ma, Chenwen Kong, Ru Bai, Jin Li, Ling Zhang, Xiongchao Shao, Yuehuan Zhang, Mi Ouyang

{"title":"Achieving Orange-Red Electrofluorochromism via Aromatic Side-Chain Engineering of Triphenylamine-Cyanostilbene Polymers","authors":"Qi Sun, Jinlu Zhang, Shikun Zhang, Yebin Yu, Peidong Ma, Chenwen Kong, Ru Bai, Jin Li, Ling Zhang, Xiongchao Shao, Yuehuan Zhang, Mi Ouyang","doi":"10.1021/acsapm.6c02978","DOIUrl":"https://doi.org/10.1021/acsapm.6c02978","url":null,"abstract":"Electrochromic (EC)/electrofluorochromic (EFC) bifunctionalpolymershave attracted significant interest for their ability to preciselymodulate dual optical properties in response to electrical signals,positioning them as promising candidates for integrated device applications.This study employs the design and synthesis of a series of EC/EFCbifunctional polymers, incorporating a triphenylamine (TPA) core unitand a cyano diarylethene structure known for its solid-state luminescenceproperties. The polymers of polymer dye naphtho-type phenylene carbon(PDNPC), polymer dye dibenzo-type phenylene carbon (PDDPC), and polymerdye anthra-type phenylene carbon (PDAPC) each possess biphenyl sidechains of differing sizes, namely, naphthalene, anthracene, and pyrene,presenting a unique opportunity to investigate the influence of side-chainsteric effects on electro-optical properties. The electrochromic propertiesof the polymer films exhibited fast switching times, high coloringefficiencies, good cycling stabilities, and strong memory effects.Among these, PDDPC demonstrated the fastest switching time (0.5 sfor coloration and 0.6 s for bleaching), high contrast (55.6% at 515nm), an outstanding coloring efficiency (398.8 cm2/C),and better cycling stability (maintaining 78.4% after 250 cycles at515 nm). Furthermore, all three polymer films exhibited high fluorescenceswitch contrast (Ion/Ioff > 100). Notably, PDAPC exhibited an orange-redfluorescenceat 589 nm and retained 82.1% of its initial fluorescence contrastafter 30 switching cycles. The red-shifted emission is associatedwith the enlarged fused aromatic substituent and the resulting narrowingof the optical band gap.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18431–18441"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282042","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 Weight-Dependent Coloration and Thermal Sensitivity of Hydroxypropyl Cellulose Photonic Colloids 羟丙基纤维素光子胶体的分子量依赖性显色和热敏性

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-06 DOI: 10.1021/acsapm.6c03404

Dong Li, Qing Lou, Xulin Yang, Xuezhong Zhang, Jinbo Cheng, Hui Li, Linli Xu, Chunxia Zhao, Yuanpeng Wu

{"title":"Molecular Weight-Dependent Coloration and Thermal Sensitivity of Hydroxypropyl Cellulose Photonic Colloids","authors":"Dong Li, Qing Lou, Xulin Yang, Xuezhong Zhang, Jinbo Cheng, Hui Li, Linli Xu, Chunxia Zhao, Yuanpeng Wu","doi":"10.1021/acsapm.6c03404","DOIUrl":"https://doi.org/10.1021/acsapm.6c03404","url":null,"abstract":"Hydroxypropyl cellulose (HPC) photonic colloids holdimmense potentialfor smart thermochromic applications. However, achieving tailorablethermal-responsive performance remains a significant challenge. Herein,we systematically investigate the decisive role of molecular weightin governing the coloration behavior and thermal sensitivity of self-assembledHPC photonic colloids using three variants (L-HPC, M-HPC, and H-HPC)with comparable degrees of substitution but distinct molecular weights.Decreasing the molecular weight is shown to markedly enhance thermalsensitivity, with L-HPC achieving up to 10.4 nm/°C. Dynamic lightscattering (DLS) analysis reveals that this performance discrepancystems from a molecular weight-dependent phase-separation mechanism:heating induces a faster hydrodynamic radius (Rh) growth rate and helical pitch expansion in lower-molecular-weightHPC, yielding a steeper linear fitting slope (7.39). Leveraging thesediscrepancies in thermal sensitivity alongside high-fidelity patterningtechniques, we successfully demonstrated dynamic multicolored graphictransitions and a highly secure, temperature-keyed information encryptionplatform.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18720–18728"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preparation of Magnetic Molecularly Imprinted COF-like Polymer for Diosmetin Separation from Natural Extracts 磁性分子印迹类cof聚合物的制备及其分离薯蓣皂苷的研究

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-12 DOI: 10.1021/acsapm.6c03376

Dong Fu, Linhui Xing, Liu Fang, Jie Cao, Guoxian Hu, Chengzhi Zhao, Yanhong Guo

{"title":"Preparation of Magnetic Molecularly Imprinted COF-like Polymer for Diosmetin Separation from Natural Extracts","authors":"Dong Fu, Linhui Xing, Liu Fang, Jie Cao, Guoxian Hu, Chengzhi Zhao, Yanhong Guo","doi":"10.1021/acsapm.6c03376","DOIUrl":"https://doi.org/10.1021/acsapm.6c03376","url":null,"abstract":"A magneticmolecularly imprinted covalent organic framework-likepolymer (MMICP-DT/DAAQ) was prepared based on a multivariate syntheticstrategy, utilizing 4,4′-diamino-terphenyl (DT)/2,6-diaminoanthraquinone(DAAQ) as functional monomers, 2,4,6-triformylphloroglucinol (TP)as the cross-linker, amino-functionalized magnetic nanoparticles (Fe3O4–NH2) as the support, and diosmetinas the template molecule. The microscopic structure and surface functionalgroups of MMICP-DT/DAAQ were further modified by adjusting the molarratio of DT/DAAQ. The obtained MMICP-DT/DAAQ exhibited a high specificsurface area (157.7 m2/g), favorable magnetic properties(30.6 emu/g), and a prominent adsorption capacity (106.5 mg/g). Meanwhile,the material also displayed excellent specific recognition ability(imprinting factor of 2.33) and satisfactory reusability with theretained adsorption capacity remaining at 69.5% of the initial valueafter nine cycles of adsorption and desorption. Notably, the adsorptioncapacity of MMICP-DT/DAAQ was determined by the imprinted-cavity complementarityrather than the specific surface area. Furthermore, the MMICP-DT/DAAQ,as a specific adsorbent, could extract and preliminarily purify diosmetinfrom various natural product extracts, with extraction efficienciesranging from 63.8% to 77.4%. This work offers a design strategy forthe preparation of MMICPs and also provides a simple and rapid methodfor preliminary purification of diosmetin across different matrices.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18710–18719"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282041","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

Influence of Diamine Structure on Chain Packing and H2/CH4 Transport in BTDA-Based Polyimide Membranes 二胺结构对btda基聚酰亚胺膜链填充和H2/CH4输运的影响

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-09-30 DOI: 10.1021/acsapm.6c02636

Hyerin Park, Jeong Ju Baek, Geun Yeol Bae, Kyung Ho Choi, Byeong-Su Kim, Won-Gun Koh, Hyunwoo Bark, Gyojic Shin

{"title":"Influence of Diamine Structure on Chain Packing and H2/CH4 Transport in BTDA-Based Polyimide Membranes","authors":"Hyerin Park, Jeong Ju Baek, Geun Yeol Bae, Kyung Ho Choi, Byeong-Su Kim, Won-Gun Koh, Hyunwoo Bark, Gyojic Shin","doi":"10.1021/acsapm.6c02636","DOIUrl":"https://doi.org/10.1021/acsapm.6c02636","url":null,"abstract":"Developing high-performance membranes for H2/CH4 separation is a critical imperative for the advancementofthe hydrogen economy. However, conventional polymeric membranes oftensuffer from the intrinsic trade-off between permeability and selectivity,as well as the technical dilemma between chain rigidity and processability.In this study, we systematically investigated polyimides based on3,3′,4,4′-benzophenonetetracarboxylic dianhydride (BTDA)containing three structurally distinct diamines to elucidate the effectsof intermolecular hydrogen bonding, steric bulk, backbone rigidity,and flexibility on H2/CH4 transport. By systematicallyincorporating a hydrogen-bonding diamine (DABA) alongside bulky (DAPI)and flexible (MDA) units, we established a precise structure–propertyrelationship governing subnanometric gas transport. Experimental characterizationsconfirmed that DABA-driven hydrogen-bonding networks create an interaction-richmatrix with significantly contracted interchain distances (d-spacing 4.58 Å) and exceptional thermal stability(exceeding 520 °C). Gas permeation measurements showed that B-DABAexhibited the highest H2/CH4 ideal selectivityof 72.81 among the membranes investigated in this study, primarilyowing to its strongly suppressed CH4 permeability. Atomisticmolecular dynamics simulations indicated that free-volume characteristicsand polymer-chain mobility can jointly influence gas-transport behavior.While bulky DAPI units increase free volume, their rigid indane structuresrestrict polymer-chain mobility, whereas the flexible MDA-containingmatrix exhibits greater segmental mobility. These results highlightthe combined importance of intermolecular interactions, free-volumecharacteristics, and molecular mobility in determining H2/CH4 transport in BTDA-based polyimides.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18383–18391"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282070","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 Regression-Enhanced Property Prediction of Brush Particle Solids 机器学习回归增强的电刷颗粒固体性能预测

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-13 DOI: 10.1021/acsapm.6c03454

Kevin Ferguson, Ayesha Abdullah, Yuqi Zhao, Yunhao Xu, Michael R. Bockstaller, Levent Burak Kara, Lawrence Drummy, Eric Harper, Andrew Gillman

{"title":"Machine Learning Regression-Enhanced Property Prediction of Brush Particle Solids","authors":"Kevin Ferguson, Ayesha Abdullah, Yuqi Zhao, Yunhao Xu, Michael R. Bockstaller, Levent Burak Kara, Lawrence Drummy, Eric Harper, Andrew Gillman","doi":"10.1021/acsapm.6c03454","DOIUrl":"https://doi.org/10.1021/acsapm.6c03454","url":null,"abstract":"The development of advanced hybrid materials such aspolymer-graftednanoparticles (aka “brush” or “hairy”particles) hinges on the ability to accurately predict suitable compositionsto realize desired functionalities. Such systems are characterizedby expensive synthesis, sparse data, and large parameter spaces thatoften render physics-based modeling or experimental exploration ofstructure–property relationships expensive and impractical.Regression models provide a versatile data-driven alternative to establishempirical structure–property relations. However, the implicationsof sparse data availability and method of training on the predictivecapability of regression models outside of the respective range oftraining data is poorly understood. This work presents a comparativeanalysis of widely used linear and nonlinear models versus machinelearning regression models to evaluate their ability to predict theelastic modulus of brush particle solids formed by poly(methyl methacrylate)(PMMA) and polystyrene (PS) tethered silica nanoparticles with systematicvariation of the degree of polymerization, dispersity, and graftingdensity. The methods investigated include k-nearest neighbors, multilayerperceptron, and XGBoost regression. The performance of each modelis assessed on a consistent set of training and testing data. Withinthe experimental certainty, the k-nearest neighbors regressor andXGBoost were found to provide the most reliable property prediction.Combining data sets of disparate polymer systems (PMMA/PS) was foundto increase the accuracy of prediction and to enable models to forecastpreviously reported unexpected behavior outside of the range of theoriginal training data. This supports the use of trained regressionmodels as capable exploratory tools to reveal structure–propertyrelations for systems that are controlled by multiple parameters withunknown interactions.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18740–18749"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149282084","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

Embedded Films of Overlapping Graphene Sheets for Hardened and Electrically Conductive Polymer Surfaces 用于硬化和导电聚合物表面的重叠石墨烯片嵌入膜

IF 5.2 2区化学

ACS Applied Polymer Materials Pub Date : 2026-10-23 Epub Date: 2026-10-07 DOI: 10.1021/acsapm.6c02284

Prabodha G. Abeykoon, Rumesha M. Anthoni Pererage, Shuyang Xiao, Sean T. McDermott, Taoran Hui, Chinthani D. Liyanage, Zilu Wang, Andrey V. Dobrynin, Seok-Woo Lee, Douglas H. Adamson

{"title":"Embedded Films of Overlapping Graphene Sheets for Hardened and Electrically Conductive Polymer Surfaces","authors":"Prabodha G. Abeykoon, Rumesha M. Anthoni Pererage, Shuyang Xiao, Sean T. McDermott, Taoran Hui, Chinthani D. Liyanage, Zilu Wang, Andrey V. Dobrynin, Seok-Woo Lee, Douglas H. Adamson","doi":"10.1021/acsapm.6c02284","DOIUrl":"https://doi.org/10.1021/acsapm.6c02284","url":null,"abstract":"Wereport a one-step, scalable route to polymer films with an embedded,percolating layer of overlapping graphene sheets. Graphite is spreadat a water/monomer interface, where it spontaneously exfoliates andself-assembles into a graphene film. Subsequent monomer polymerizationlocks the film near the polymer surface. Using styrene and methylmethacrylate (MMA), we show that monomer identity affects both thedegree of exfoliation suggested by Raman 2D band analysis and thedepth at which graphene sits beneath the polymer surface (∼2Å for styrene, ∼7.5 Å for MMA), as predicted by potential-of-mean-forcesimulations. A crosslinker (divinylbenzene) is essential; withoutit, density-driven interfacial curvature during polymerization separatesthe graphene sheets, rendering the film insulating. With crosslinker,sheet resistance drops by orders of magnitude and PMMA/graphene filmsreach the static-dissipative regime with much lower variance thanpolystyrene/graphene films. Nanoindentation shows up to a 60% increasein surface hardness over pure polystyrene. The combination of a self-assembled, in situ deposition step, electrical conductivity, and surfacehardening makes these coatings attractive for erosion and static-resistantsurfaces.","PeriodicalId":7,"journal":{"name":"ACS Applied Polymer Materials","volume":"8 20","pages":"18140–18148"},"PeriodicalIF":5.2,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149281989","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