Composites Part B: Engineering最新文献

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Enhanced tensile properties of 3D printed soft–hard composites due to Poisson’s ratio mismatch: Experimental and numerical study
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-24 DOI: 10.1016/j.compositesb.2025.112413
Peijie Sun , Weizhu Yang , Yu Zhang , Baiyu Zhang , Zheming Fan , Lei Li
{"title":"Enhanced tensile properties of 3D printed soft–hard composites due to Poisson’s ratio mismatch: Experimental and numerical study","authors":"Peijie Sun ,&nbsp;Weizhu Yang ,&nbsp;Yu Zhang ,&nbsp;Baiyu Zhang ,&nbsp;Zheming Fan ,&nbsp;Lei Li","doi":"10.1016/j.compositesb.2025.112413","DOIUrl":"10.1016/j.compositesb.2025.112413","url":null,"abstract":"<div><div>A novel design of soft–hard integrated composite is proposed by embedding hard lattices with controllable Poisson’s ratio (PR) at large deformation into the soft matrix. Extensive numerical simulations of the hard lattices with controllable PR (HLCPR) and the designed hard lattice reinforced soft matrix (HLRSM) are conducted based on constitutive parameters of the soft and hard materials obtained from standard material tests. PolyJet 3D printing technique is employed to fabricate the studied HLCPR and HLRSM samples with lattice of PR from -0.8 to 0.8, and tensile tests were conducted with the help of DIC method to obtain their mechanical properties and capture the fracture behaviors. Numerical results agree well with the test results in terms of effective Young’s modulus, strength and fracture behaviors. Results show that coupling between the soft matrix and the HLCPR due to deformation mismatch leads to significant enhancement of mechanical properties, and such coupling effect varies with the PR of the HLCPR. The HLCPR of PR -0.8 leads to the strongest coupling effect, while that of PR 0.4 exhibits the weakest. The soft matrix delays fracture initiation in the HLCPR and transforms the fracture mode from sudden rupture to a progressive failure. Results also demonstrate that HLRSM with HLCPR of -0.8 exhibits superior performance compared to that with an uncontrollable PR or breaking hard lattices. A theoretical model was also carried out to further interpret the deformation mismatch induced coupling effect. This study offers helpful guidance for developing high-performance composite materials and structures.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112413"},"PeriodicalIF":12.7,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to “Elastic recovery induced strengthening effect in copper/multilayer-graphene interface regions revealed by instrumental nanoindentation” [Compos Part B 216 (2021) 108832]
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-22 DOI: 10.1016/j.compositesb.2025.112417
Xueliang Wang , Yang Su , Songyang Han , Martin A. Crimp , Yaping Wang , Yu Wang
{"title":"Corrigendum to “Elastic recovery induced strengthening effect in copper/multilayer-graphene interface regions revealed by instrumental nanoindentation” [Compos Part B 216 (2021) 108832]","authors":"Xueliang Wang ,&nbsp;Yang Su ,&nbsp;Songyang Han ,&nbsp;Martin A. Crimp ,&nbsp;Yaping Wang ,&nbsp;Yu Wang","doi":"10.1016/j.compositesb.2025.112417","DOIUrl":"10.1016/j.compositesb.2025.112417","url":null,"abstract":"","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"297 ","pages":"Article 112417"},"PeriodicalIF":12.7,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143706307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rapid estimation of residual stress in composite laminates using a deep operator network
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-22 DOI: 10.1016/j.compositesb.2025.112409
Seung-Woo Lee , Teubes Christiaan Smit , Kyusoon Jung , Robert Grant Reid , Do-Nyun Kim
{"title":"Rapid estimation of residual stress in composite laminates using a deep operator network","authors":"Seung-Woo Lee ,&nbsp;Teubes Christiaan Smit ,&nbsp;Kyusoon Jung ,&nbsp;Robert Grant Reid ,&nbsp;Do-Nyun Kim","doi":"10.1016/j.compositesb.2025.112409","DOIUrl":"10.1016/j.compositesb.2025.112409","url":null,"abstract":"<div><div>A deep operator network (DeepONet) is designed and developed for rapid estimation of residual stress in composite laminates, which traditionally requires intensive finite element method (FEM) calculations to calibrate the incremental hole-drilling (IHD) method used in measuring residual stresses. The proposed DeepONet model incorporates graph convolution, trigonometric series expansion, and Monte Carlo dropout to effectively learn the relationship between residual stress distribution and the corresponding deformation observed in the IHD procedure. This learning is based on FEM data from various symmetric composite laminate configurations, which are composed of eight layers of fiber-reinforced plates with possible ply orientations at <span><math><mrow><mo>−</mo><mn>45</mn><mo>°</mo></mrow></math></span>, <span><math><mrow><mn>0</mn><mo>°</mo></mrow></math></span>, <span><math><mrow><mn>45</mn><mo>°</mo></mrow></math></span>, and <span><math><mrow><mn>90</mn><mo>°</mo></mrow></math></span>. Trained on 30 configurations, the proposed model exhibits strong generalization capabilities over an additional 40 unseen configurations, achieving a forward strain prediction error of 1.59% and an inverse stress calculation error of 3.92%. These errors are within the range of experimental noise and corresponding stress uncertainty levels commonly encountered in real experiments. The performance of the model suggests the potential for establishing a comprehensive database for the IHD method as applied to composite materials, filling a significant gap in resources when compared to those available for metallic materials.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112409"},"PeriodicalIF":12.7,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143697588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Innovative strategy to reduce autogenous shrinkage in alkali-activated slag using hydrophilic carbon nanotube sponge
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-22 DOI: 10.1016/j.compositesb.2025.112447
Xinming Wang , Jing Zhong , Yubo Sun
{"title":"Innovative strategy to reduce autogenous shrinkage in alkali-activated slag using hydrophilic carbon nanotube sponge","authors":"Xinming Wang ,&nbsp;Jing Zhong ,&nbsp;Yubo Sun","doi":"10.1016/j.compositesb.2025.112447","DOIUrl":"10.1016/j.compositesb.2025.112447","url":null,"abstract":"<div><div>Alkali-activated slag (AAS) cement is recognized as a sustainable alternative to Portland cement (PC) binders. However, its practical application in construction is hindered by significant autogenous shrinkage. This study presents an innovative internal curing strategy by incorporating a hydrophilic carbon nanotube sponge (H-CNTSP) into the AAS paste. Due to the high stiffness of the CNT framework, H-CNTSP exhibits remarkable absorption capacities for activator and pore solution, reaching 74 g/g and 67 g/g, respectively—236 % higher than that of conventional superabsorbent polymer (SAP). The addition of just 0.08 <em>wt</em>% H-CNTSP effectively reduces autogenous shrinkage by 71 %, attributed to the sustained liquid release, as confirmed by the monitoring of internal relative humidity. Moreover, the loss in mechanical properties typically associated with internal curing agents is significantly minimized, thanks to the formation of a CNT/reaction product nanocomposite layer with enhanced stiffness. This study offers a promising solution to address the limitations of the AAS system, paving the way for its broader implementation in engineering applications.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112447"},"PeriodicalIF":12.7,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143685516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interfacial behaviour of bonding between ultra-high performance concrete and concrete substrate: Evolution of microstructure and micromechanical properties
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-22 DOI: 10.1016/j.compositesb.2025.112445
Facheng Song, Qinghua Li, Shilang Xu
{"title":"Interfacial behaviour of bonding between ultra-high performance concrete and concrete substrate: Evolution of microstructure and micromechanical properties","authors":"Facheng Song,&nbsp;Qinghua Li,&nbsp;Shilang Xu","doi":"10.1016/j.compositesb.2025.112445","DOIUrl":"10.1016/j.compositesb.2025.112445","url":null,"abstract":"<div><div>Ultra-high performance concrete (UHPC) is increasingly used to repair and strengthen deteriorated concrete structures. However, the crucial details of the microstructural evolution and micromechanical properties of overlay transition zone (OTZ) in composite structures are insufficiently understood. This study presents a systematic, curing-age-dependent investigation of OTZ between UHPC and concrete substrate (CS) across curing ages ranging from 1 to 28 days. A series of tests were performed to examine the hydration kinetics, grid elastic modulus, coefficient of friction, micromorphology, and 3D pore distribution of OTZ. Our findings suggest a dual-scale redefinition of OTZ: (a) a narrow OTZ affected by the wall effect and (b) a broad OTZ that encompasses the reaction zone on the CS surface, the narrow OTZ, and the air void-rich zone. The thickness of the broad OTZ is dominated by the air void-rich zone and decreases with curing age, measuring approx. 110 μm at 28 days. Ions from the fresh UHPC migrating towards the CS surface undergo mild, ongoing secondary reactions with the existing hydrates, generating additional Ca(OH)<sub>2</sub>. After 1–3 days of curing, an easily identifiable blend band of Ca(OH)<sub>2</sub> and C–S–H gels and a tight bond between UHPC and CS can be seen simultaneously in the narrow OTZ. With prolonged curing (7 and 28 days), this band fades as most of Ca(OH)<sub>2</sub> is converted into C–S–H gels due to the pozzolanic activity of silica fume. This study concludes with an in-depth discussion of the evolution mechanisms driving the microstructure and micromechanical properties of OTZ.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112445"},"PeriodicalIF":12.7,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143697591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Achieving the simultaneous improvement of degradation, thermal, and mechanical properties of polylactic acid composite films by carbon quantum dots
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-22 DOI: 10.1016/j.compositesb.2025.112442
Jianlong Chen , Xinyuan Guo , Rui Tan , Mengde Huang , Junchao Ren , Weiwei Liu , Mingfeng Wang , Bin Li , Zhong Ma , Qingfa Zhang
{"title":"Achieving the simultaneous improvement of degradation, thermal, and mechanical properties of polylactic acid composite films by carbon quantum dots","authors":"Jianlong Chen ,&nbsp;Xinyuan Guo ,&nbsp;Rui Tan ,&nbsp;Mengde Huang ,&nbsp;Junchao Ren ,&nbsp;Weiwei Liu ,&nbsp;Mingfeng Wang ,&nbsp;Bin Li ,&nbsp;Zhong Ma ,&nbsp;Qingfa Zhang","doi":"10.1016/j.compositesb.2025.112442","DOIUrl":"10.1016/j.compositesb.2025.112442","url":null,"abstract":"<div><div>Having porous structure, large surface area, and high carbon content of biochar facilitates interface bonding of polylactic acid (PLA) composites, but uneven dispersion by its irregular morphology is becoming a new challenge in damaging properties. Based on this, the novelty of this study is using carbon quantum dots (CQDs) to overcome the performance defects of caused PLA composites by biochar while the ultimate goal is to reveal the influence mechanism of CQDs on structure, characteristics, and properties of PLA composites based on disclosing the forming mechanism of CQDs. It was found that adding CQDs accelerated the degradation of PLA from the results of Phosphate Buffer Saline (PBS) degradation, hydrolysis, and soil degradation. PLA/CQDs composite films also showed better thermal properties due to the excellent thermal stability of CQDs, and nucleation effect of CQDs should be responsible for the improvement of PLA crystallization. Additionally, having good activity, regular morphology, and uniform size of CQDs facilitated uniform dispersion and good interface combination in PLA system and thereby improved the tensile strength, tensile modulus, and elongation at break simultaneously. As a comparison, the tensile strength, tensile modulus, and elongation at break of 1 wt% PLA/CQDs composite films are 55.00 MPa, 1.76 GPa, and 9.84 %, this provides a promising, sustainable, and eco-friendly solution for reinforcing PLA composites.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112442"},"PeriodicalIF":12.7,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143697589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
NPR effect on energy absorption enhancement of star-shaped honeycomb filled shear thickening fluids under impact
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-20 DOI: 10.1016/j.compositesb.2025.112415
J.P. Ren , Z.P. Gu , Y.D. Sui , A.G. Zhao , C.G. Huang , X.Q. Wu
{"title":"NPR effect on energy absorption enhancement of star-shaped honeycomb filled shear thickening fluids under impact","authors":"J.P. Ren ,&nbsp;Z.P. Gu ,&nbsp;Y.D. Sui ,&nbsp;A.G. Zhao ,&nbsp;C.G. Huang ,&nbsp;X.Q. Wu","doi":"10.1016/j.compositesb.2025.112415","DOIUrl":"10.1016/j.compositesb.2025.112415","url":null,"abstract":"<div><div>Porous materials filled with shear thickening fluids (STF) can adapt flexibly to complex dynamic loadings environments, showing great promise as an advanced composite material with high impact resistance. However, the energy absorption performance of these STF related materials is not fully exploited due to the low coupling efficiency between the STF and the structure. In this paper, the dynamic compressive behavior of STF filled star-shaped honeycombs (SSH) with significant negative Poisson's ratio (NPR) effect was studied using modified SHPB experiments and finite element (FE) simulations. The coupling mechanism between the NPR effect and the shear-thickening behavior of STF is analyzed. The dynamic mechanical performance of the STF-filled SSH (SSH-STF) under initial velocity impact and constant velocity compression loading, including stress distribution, energy dissipation, and coupling strength, is comprehensively analyzed. The results indicate that SSH-STF enhances energy absorption efficiency by the mutual extrusion effect of SSH and STF, which limits local deformation and modifies the unstable deformation mode of SSH, while also expanding the energy absorption region. The shear thickening effect of STF limits 82 % of the in-plane rotation behavior of SSH-STF unit cells compared to unfilled SSH under high-velocity impact, promoting uniform and sufficient contraction deformation across the unit cells, which enhances the mean crushing force by 253 %. Meanwhile, the shear thickening behavior of STF leads to faster stress transfer within SSH, significant enhancement of the local deformation stability and effectively increasing the critical impact velocity of the SSH-STF. In this paper, the significant enhancement of energy absorption performance of the STF-SSH composite provides valuable insights for the design of STF-filled auxetic honeycomb structures in practical applications.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112415"},"PeriodicalIF":12.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143685515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thin-shell thermoplastic composites with tunable out-of-plane properties: The interplay of layer thickness and cooling rate
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-20 DOI: 10.1016/j.compositesb.2025.112381
F.E. Oz, A. Wagih, Y. Kara, M. Bahabri, G. Lubineau
{"title":"Thin-shell thermoplastic composites with tunable out-of-plane properties: The interplay of layer thickness and cooling rate","authors":"F.E. Oz,&nbsp;A. Wagih,&nbsp;Y. Kara,&nbsp;M. Bahabri,&nbsp;G. Lubineau","doi":"10.1016/j.compositesb.2025.112381","DOIUrl":"10.1016/j.compositesb.2025.112381","url":null,"abstract":"<div><div>This study explores how layer thickness and cooling rate influence crystallinity and flexural properties in cross-ply carbon fiber-reinforced polyamide 6 thin-shell composites (<span><math><mrow><mn>672</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span> total thickness). By varying layer thickness and cooling rate during consolidation, the matrix microstructure and resulting flexural behavior were significantly affected. Reduced layer thickness and increased cooling rate lowered crystallinity due to restricted chain migration, while thinner layers also decreased stiffness per classical lamination theory. This enables tailoring of the strength/stiffness ratio. Notably, a thin-layer laminate (<span><math><mrow><mn>42</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span>) achieved a similar strength to the thick-layer composite (<span><math><mrow><mn>168</mn><mspace></mspace><mi>μ</mi><mi>m</mi></mrow></math></span>) but exhibited 40% enhanced flexibility, 35% higher failure onset strain, and 20% improved damage tolerance. This highlights the enhanced tunability for thin-ply thermoplastic composites, surpassing the limitations of thermoset and conventional thermoplastic composites.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112381"},"PeriodicalIF":12.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143685482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Indentation hardness and sliding wear of carbon fiber reinforced polymer (CFRP) resulting from the effects of adhesive film and additional thermal treatment
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-20 DOI: 10.1016/j.compositesb.2025.112421
Daniel Pieniak , Leszek Gil , Albin Michał Wit-Rusiecki , Jarosław Selech , Aneta Krzyżak , Grzegorz Bartnik
{"title":"Indentation hardness and sliding wear of carbon fiber reinforced polymer (CFRP) resulting from the effects of adhesive film and additional thermal treatment","authors":"Daniel Pieniak ,&nbsp;Leszek Gil ,&nbsp;Albin Michał Wit-Rusiecki ,&nbsp;Jarosław Selech ,&nbsp;Aneta Krzyżak ,&nbsp;Grzegorz Bartnik","doi":"10.1016/j.compositesb.2025.112421","DOIUrl":"10.1016/j.compositesb.2025.112421","url":null,"abstract":"<div><div>The primary objective of this study is to determine the optimal CFRP (Carbon Fibers Reinforced Polymer) structure with the most favourable mechanical and tribological properties for high-performance applications. The novelty of this work lies in the comprehensive analysis of the combined effect of adhesive film (AF) layers and additional annealing on the indentation hardness and sliding wear resistance of CFRP laminates. Although previous studies have investigated the tribological behaviour of CFRPs, our research uniquely evaluates how polymeric adhesive films, in conjunction with thermal treatment, influence structural integrity and wear resistance.</div><div>This study specifically examines the role of different AF layers in friction resistance and wear mechanisms, which are crucial for applications involving high-stress sliding contact. Furthermore, a novel approach is presented to assess the effect of post-curing at elevated temperatures (140 °C) on the mechanical properties of CFRPs, particularly hardness and elastic modulus, which are critical for structural applications. By systematically comparing different laminate configurations and their response to sliding friction, this research contributes to the development of more durable and wear-resistant CFRP-based components for the aerospace and automotive industries. The novelty of this work lies in the comprehensive analysis of the combined effect of adhesive film (AF) layers and additional annealing on the indentation hardness and sliding wear resistance of CFRP laminates.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112421"},"PeriodicalIF":12.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143685481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fast diffusion and high C2H2 capture in a 2D MOF with oxygen-riched wide channels for efficient C2H2/CO2 separation
IF 12.7 1区 材料科学
Composites Part B: Engineering Pub Date : 2025-03-20 DOI: 10.1016/j.compositesb.2025.112414
Wenpeng Xie , Qiuju Fu , Guoliang Chen , Liting Yan , Lingzhi Yang , Xiangsen Yuan , Shilong Wen , Lei Ge , Jun Zhang , Xuebo Zhao
{"title":"Fast diffusion and high C2H2 capture in a 2D MOF with oxygen-riched wide channels for efficient C2H2/CO2 separation","authors":"Wenpeng Xie ,&nbsp;Qiuju Fu ,&nbsp;Guoliang Chen ,&nbsp;Liting Yan ,&nbsp;Lingzhi Yang ,&nbsp;Xiangsen Yuan ,&nbsp;Shilong Wen ,&nbsp;Lei Ge ,&nbsp;Jun Zhang ,&nbsp;Xuebo Zhao","doi":"10.1016/j.compositesb.2025.112414","DOIUrl":"10.1016/j.compositesb.2025.112414","url":null,"abstract":"<div><div>The separation of C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> presents an arduous challenge due to their similar physicochemical properties. In this study, we propose SUM-1(Zr), a two-dimensional layered MOF that effectively captures C<sub>2</sub>H<sub>2</sub> molecules by utilizing electronegative oxygen as hydrogen bond donors and separates C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> mixtures by competitive adsorption between C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> molecules. The adsorption capacity of SUM-1(Zr) for C<sub>2</sub>H<sub>2</sub> was measured to be 3.07 mmol g<sup>−1</sup> at 298 K and 1 bar, with an IAST selectivity for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> reaching 3.33. Kinetic studies demonstrated faster diffusion rates of C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> molecules in hexagonal channels with larger pore sizes. The electronegative oxygen atoms and –NH molecules in SUM-1(Zr) create a favorable adsorption environment for the guest molecules, while the –NH moiety in SUM-1(Zr) is oriented towards the narrow triangular channels, and the wide hexagonal channels contains numerous electronegative oxygen atoms that act as hydrogen bond donors, selectively trapping C<sub>2</sub>H<sub>2</sub> molecules. Theoretical calculations indicate that C<sub>2</sub>H<sub>2</sub> prefers to adsorb near the oxygen atoms in the wide hexagonal channels, forming multiple hydrogen bonds with the oxygen atoms in the two adjacent parallel layers. It is worth noting that the binding energies of these two types of channels for C<sub>2</sub>H<sub>2</sub> are significantly higher than those for CO<sub>2</sub>, resulting in competitive adsorption between C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub>. This study highlights the potential of utilizing the unique pore surface environment and competitive adsorption among diverse gas molecules for efficient separation of gas mixtures in MOFs.</div></div>","PeriodicalId":10660,"journal":{"name":"Composites Part B: Engineering","volume":"299 ","pages":"Article 112414"},"PeriodicalIF":12.7,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143697590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","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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