Chemical Engineering Journal最新文献

Multi-dimensional protein engineering and coupled network optimization enable high-titer 2-KLG green biosynthesis in G. oxydans 多维蛋白工程和偶联网络优化实现了高滴度的2-KLG绿色生物合成

IF 13.2 1区工程技术

Chemical Engineering Journal Pub Date : 2026-05-07 DOI: 10.1016/j.cej.2026.177121

Xuyang Wang , Zhijie Qin , Dong Li , Guang Li , Jingwen Zhou

{"title":"Multi-dimensional protein engineering and coupled network optimization enable high-titer 2-KLG green biosynthesis in G. oxydans","authors":"Xuyang Wang , Zhijie Qin , Dong Li , Guang Li , Jingwen Zhou","doi":"10.1016/j.cej.2026.177121","DOIUrl":"10.1016/j.cej.2026.177121","url":null,"abstract":"<div><div>2-Keto-L-gulonic acid (2-KLG) is a key precursor for vitamin C biosynthesis. <em>Gluconobacter oxydans</em> enables one-step conversion of sorbitol to 2-KLG via its unique dehydrogenase system, but efficiency is limited by intrinsic low catalytic activity and expression of membrane-bound sorbose dehydrogenase (SDH), alongside severe intracellular metabolic network coupling imbalance. This study developed a systems strategy integrating multi-omics guidance, modular bottleneck analysis, and stepwise optimization to achieve dynamic adaptation between SDH functional enhancement and global metabolism. Multi-dimensional engineering addressed SDH catalytic, expression, and membrane anchoring defects. An electron leakage-stress cascade model was innovatively proposed to optimize electron transport chain and oxidative stress synergy, with carbon metabolic reprogramming maximizing substrate conversion. The final engineered strain produced 91.3 g/L 2-KLG in a 5-L bioreactor within 168 h, representing a 75.9% increase over the highest reported one-step mono-strain yield. This work deciphers key SDH regulatory mechanisms, establishes a metabolic engineering paradigm for membrane protein enhancement-coupled network adaptation, and provides critical theoretical and technical support for metabolic modification of incomplete oxidation microorganisms and green industrial vitamin C production.</div></div>","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"539 ","pages":"Article 177121"},"PeriodicalIF":13.2,"publicationDate":"2026-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147854992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spatial proximity between metal oxides and zeolite: a critical factor governing bio-oil production in biomass pyrolysis 金属氧化物和沸石之间的空间接近：生物质热解中控制生物油生产的关键因素

IF 13.2 1区工程技术

Chemical Engineering Journal Pub Date : 2026-05-06 DOI: 10.1016/j.cej.2026.177103

Zhihang Zeng , Yicong Wang , Liu Wu , Yaoling Bai , Mengying Wang , Liang Fang , Jie Liang

{"title":"Spatial proximity between metal oxides and zeolite: a critical factor governing bio-oil production in biomass pyrolysis","authors":"Zhihang Zeng , Yicong Wang , Liu Wu , Yaoling Bai , Mengying Wang , Liang Fang , Jie Liang","doi":"10.1016/j.cej.2026.177103","DOIUrl":"10.1016/j.cej.2026.177103","url":null,"abstract":"<div><div>Metal oxide–zeolite bifunctional catalysts have demonstrated remarkable effectiveness in biomass catalytic fast pyrolysis (CFP) for the producing hydrocarbon-rich bio-oil. However, the mechanistic role of spatial proximity between metal and acid sites in governing pyrolysis reaction pathways remains insufficiently understood. To address this research gap, this study systematically investigates how the metal–acid proximity governs bio-oil production in biomass CFP. Initial screening of various metal oxides (In<sub>2</sub>O<sub>3</sub>, ZrO<sub>2</sub>, CaO, and ZnO) integrated with ZSM-5 zeolite results in the identification of In<sub>2</sub>O<sub>3</sub> as the most effective metal species. Consequently, a series of In<sub>2</sub>O<sub>3</sub>-ZSM-5 catalyst architectures are designed to probe the effect of metal–acid proximity: dual-bed In<sub>2</sub>O<sub>3</sub>//ZSM-5 (with millimeter intimacy), physically mixed In<sub>2</sub>O<sub>3</sub> + ZSM-5 (with micrometer intimacy), and In<sub>2</sub>O<sub>3</sub>/ZSM-5 composites (with nanometer intimacy). Results demonstrate that the nanoscale In<sub>2</sub>O<sub>3</sub>/ZSM-5 configuration performs best in delivering the highest hydrocarbon selectivity of 43.9 area%, which represents 46% improvement relative to the parent ZSM-5. Mechanistic studies employing 4-ethylphenol as a model compound for pyrolysis, coupled with density functional theory calculations, further elucidate the proximity-dependent reaction pathways. The structure–activity relationships established herein provide fundamental insights to guide the rational design of bifunctional catalysts for biomass thermochemical conversion.</div></div>","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"539 ","pages":"Article 177103"},"PeriodicalIF":13.2,"publicationDate":"2026-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147854997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In-situ X-ray computed tomographic investigation of the electrochemical interfaces in a miniaturized proton exchange membrane water electrolyzer 微型质子交换膜水电解槽电化学界面的x射线计算机层析成像研究

IF 13.2 1区工程技术

Chemical Engineering Journal Pub Date : 2026-05-04 DOI: 10.1016/j.cej.2026.177008

Biswajit Samir De , Nima Shaigan , Marius Dinu , Francesco P. Orfino , Khalid Fatih , Erik Kjeang

{"title":"In-situ X-ray computed tomographic investigation of the electrochemical interfaces in a miniaturized proton exchange membrane water electrolyzer","authors":"Biswajit Samir De , Nima Shaigan , Marius Dinu , Francesco P. Orfino , Khalid Fatih , Erik Kjeang","doi":"10.1016/j.cej.2026.177008","DOIUrl":"10.1016/j.cej.2026.177008","url":null,"abstract":"<div><div>X-ray computed tomography (XCT) provides a non-invasive diagnostic tool for simultaneously analyzing the catalyst-coated membrane (CCM), porous transport layer (PTL), and gas diffusion layer (GDL) of a proton exchange membrane water electrolyzer (PEMWE). In this work, an X-ray-compliant miniaturized PEMWE (mPEMWE) is designed for <em>in-situ</em> XCT visualization of PTL-CCM and GDL-CCM interfaces under electrolyzer operating conditions. Electrochemical testing and visualization of cells with variable land-channel configurations demonstrate that wide lands provide the highest cell performance, resulting from optimal component compression under the channel and land areas. Thin lands cause excessive component compression under the land areas, resulting in poor cell performance, whereas wide channels lack sufficient component support, causing inferior cell performance.</div><div>The changes in the electrochemical interfaces are investigated at the beginning-of-life and end-of-test stages at 300 h by comparing <em>in-situ</em> XCT images and electrochemical performance using thick Nafion® 115 and thin Nafion® 212 membranes. Severe deformities at the PTL-CCM interface are observed at EOT, with semicircular imprints on the anode catalyst layer resulting from membrane expansion into the PTL crevices. Discontinuity in the anode catalyst layer at the PTL-CCM interface is correlated with increased overpotential, and ohmic and charge transfer resistance at EOT. This interfacial deformation mechanism is consistent across both thick and thin membranes, but is more severe in the thin membrane due to additional indentations and heterogeneity at the PTL-CCM interface. Thus, the stability of the PTL-CCM interface is deemed critical for long-term PEMWE performance and durability.</div></div>","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"539 ","pages":"Article 177008"},"PeriodicalIF":13.2,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147854995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unveiling the electronic regulation mechanism via a combined DFT-machine learning strategy to screen high performance single-atom catalysts on black phosphorus monolayer for LiS batteries 通过联合dft -机器学习策略揭示电子调控机制，筛选锂离子电池用黑磷单层上的高性能单原子催化剂

IF 13.2 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176824

Shirui Wang , Cheng He , Wenxue Zhang

{"title":"Unveiling the electronic regulation mechanism via a combined DFT-machine learning strategy to screen high performance single-atom catalysts on black phosphorus monolayer for LiS batteries","authors":"Shirui Wang , Cheng He , Wenxue Zhang","doi":"10.1016/j.cej.2026.176824","DOIUrl":"10.1016/j.cej.2026.176824","url":null,"abstract":"<div><div>Lithium‑sulfur batteries (Li<img>S), despite their high theoretical energy density, suffer from polysulfide shuttling and sluggish redox kinetics. Single-atom catalysts (SACs) offer a promising route to address these issues, but their development is impeded by both the vast chemical space and insufficient understanding of how local electronic structure controls interfacial processes. Herein, a synergistic computational strategy integrating density functional theory (DFT) with machine learning (ML) is presented to efficiently screen and design high performance SACs, using transition metal atoms anchored on black phosphorus monolayer (TM-BP) as a model system. The combined approach identifies Ti-BP, V-BP and ML-predicted Hf-BP as exceptional electrocatalysts with optimal polysulfide binding and accelerated kinetics. The underlying catalytic mechanism is further deciphered through systematic electronic structure analysis, revealing that <em>d-p</em> orbital hybridization plays a critical role in regulating adsorption behavior and charge transfer. Furthermore, a unique “aggregation-donation-feedback” interfacial electron transfer mechanism is proposed, which clearly elucidates the complete electronic process of Li<sub>2</sub>S on the catalyst surface, from adsorption and activation to eventual decomposition, thereby explaining the origin of catalytic activity at the quantum mechanical level. By employing the SISSO algorithm, an interpretable, low-dimensional descriptor is derived that quantitatively correlates the Li<sub>2</sub>S decomposition barrier with intrinsic properties of the metal centers, establishing a generalizable principle for catalyst design. This work establishes an efficient DFT-ML synergistic screening framework, which not only accelerates the discovery of single-atom electrocatalysts but also provides a rational design pathway for high performance cathode hosts in Li<img>S batteries.</div></div>","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"539 ","pages":"Article 176824"},"PeriodicalIF":13.2,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147854994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A simple fast-response, polarity-switchable self-powered sensor based on a Ti-based mesh via hybrid triboelectric and streaming-potential effects 一种简单的快速响应、极性可切换的自供电传感器，基于钛基网格，通过混合摩擦电和流电位效应

IF 15.1 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176847

Wei Li, Jingkang Zhang, Mingyu Xu, Zhiquan Huang, Guangyong Li, Yuan Jin, Minghua Zhang, Jianke Du, Licheng Hua

{"title":"A simple fast-response, polarity-switchable self-powered sensor based on a Ti-based mesh via hybrid triboelectric and streaming-potential effects","authors":"Wei Li, Jingkang Zhang, Mingyu Xu, Zhiquan Huang, Guangyong Li, Yuan Jin, Minghua Zhang, Jianke Du, Licheng Hua","doi":"10.1016/j.cej.2026.176847","DOIUrl":"https://doi.org/10.1016/j.cej.2026.176847","url":null,"abstract":"The growing demand for standalone self-powered sensing systems is driving significant interest in developing devices that can harvest energy from ambient moisture and natural water sources while simultaneous providing sensing capabilities. This study presents a cost-effective, industrially scalable self-powered sensor based on a simple Ti-based mesh integrated within a pressure-adjustable container. The electrical output of this device can be rapidly polarity-switched merely by toggling the water flow through the Ti-based mesh, without any surface modification or external energy input. Notably, the device demonstrates multi-parameter sensing capabilities, enabling detection of water flow velocity, flow volume, ionic solutions of varying valences and concentrations, and even different types of natural water. The underlying mechanisms are elucidated through combined experimental and computational analyses, revealing that the electrical signals originate from hybrid triboelectric and streaming-potential effects. This work establishes a design paradigm for high-performance, Ti-based self-powered sensors with polarity-switchable characteristics, offering promising applications in environmental monitoring and water quality assessment.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"27 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147756225","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","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 "Engineering atomic Mn-N4 sites in g-C3N4 for promoting the photocatalytic oxidation of glucose to glucaric acid" [Chem. Eng. J., 534 (2026) 175244] “在g-C3N4中工程原子Mn-N4位点以促进葡萄糖光催化氧化成葡萄糖酸”的勘误表[化学]。Eng。J., 534 (2026) 175244]

IF 15.1 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176438

Mingfu Li, Pingjun Zhang, Jiannan Qin, Hao Cheng, Qiang Yu, Liqun Jiang

引用次数: 0

Data-driven inverse design for magnesium hydroxide precipitation: Coupling CFD–PBM with deep learning to control hexagonal platelets morphology formation and particle size distribution 氢氧化镁沉淀的数据驱动逆设计：结合CFD-PBM和深度学习控制六边形血小板形态形成和粒径分布

IF 15.1 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176546

Antonello Raponi, Daniele Marchisio

{"title":"Data-driven inverse design for magnesium hydroxide precipitation: Coupling CFD–PBM with deep learning to control hexagonal platelets morphology formation and particle size distribution","authors":"Antonello Raponi, Daniele Marchisio","doi":"10.1016/j.cej.2026.176546","DOIUrl":"https://doi.org/10.1016/j.cej.2026.176546","url":null,"abstract":"Magnesium hydroxide precipitation is a key industrial process whose outcome strongly depends on operating conditions, hydrodynamics, and supersaturation dynamics, ultimately affecting particle morphology and particle size distribution (PSD). In this work, a mechanistic and data-driven inverse design framework is proposed by coupling Computational Fluid Dynamics and Population Balance Modelling (CFD-PBM) with deep learning techniques to identify precipitation kinetics and predict particle characteristics under different semi-batch feeding strategies. A neural-network-based surrogate model is employed to infer kinetic parameters governing nucleation, growth, and agglomeration directly from experimentally measured characteristic particle sizes, drastically reducing the computational burden associated with traditional optimization loops. The identified kinetic parameters are shown to be transferable across operating conditions and reactor configurations, enabling accurate predictions without re-calibration. The proposed CFD-PBM model successfully captures the effect of supersaturation generation rate on particle morphology, distinguishing between globular primary particles formed under rapid supersaturation buildup and hexagonal platelet-like structures obtained under slower supersaturation conditions. Shape effects are accounted for through morphology-dependent shape factors, demonstrating that particle shape primarily influences the quantitative magnitude of characteristic sizes while preserving qualitative trends. Model predictions are in good agreement with experimental data within the observed variability. Overall, this study provides a robust and computationally efficient framework for the mechanistic interpretation of magnesium hydroxide precipitation, offering new opportunities for morphology and PSD control through the integration of CFD-PBM modelling and advanced machine learning techniques.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"4 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147756183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Piezoelectric heterojunction with nanozyme activity for controlling infection and redounding neuro-vascularized bone regeneration 具有纳米酶活性的压电异质结用于控制感染和增强神经血管化骨再生

IF 15.1 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176832

Shangyu Xie, Jiajun Chen, Yang Yang, Zhuowei Wang, Zhengmao Guan, Jie Wei, Jun Zhao, Dejian Li

{"title":"Piezoelectric heterojunction with nanozyme activity for controlling infection and redounding neuro-vascularized bone regeneration","authors":"Shangyu Xie, Jiajun Chen, Yang Yang, Zhuowei Wang, Zhengmao Guan, Jie Wei, Jun Zhao, Dejian Li","doi":"10.1016/j.cej.2026.176832","DOIUrl":"https://doi.org/10.1016/j.cej.2026.176832","url":null,"abstract":"Repair of infectious bone is confronted with the dual challenges of biofilm elimination and osteanagenesis. Herein, a heterojunction of manganese-doped sodium niobate/molybdenum selenide (MNO@MS) with optimal piezoelectricity (193.33 pm/V) and nanozyme activities was developed. Under irradiation of ultrasound (US,1.5 W/cm<sup>2</sup>), the piezoelectric effect of MNO@MS remarkably enhanced sonodynamic performance (ROS generation ~4-fold) and cascade reaction of peroxidase(POD)/oxidase(OXD)/catalase (CAT)-like activities that generated a large amount of reactive oxygen species (ROS) for synergistically eradicating bacteria (99.32%) and disrupting biofilms (90%) by obstructing energy metabolism, and preventing infection both in vitro and in vivo. Under irradiation of US (0.5 W/cm<sup>2</sup>), the piezoelectric effect of the heterojunction not only obviously enhanced the cascade reaction of CAT/superoxide dismutase (SOD)/glutathione peroxidase (GPx)-like activities that scavenge excessive intracellular ROS (90%) for alleviating oxidative stress, but also stimulated M2 macrophage polarization (39.7%) that constructed an anti-inflammatory microenvironment for osteogenesis. Further, the piezoelectric stimulation remarkably facilitated cellular responses (osteoblastic differentiation, angiogenesis, and neurogenesis) in vitro and promoted neurovascularized bone regeneration in vivo. The piezoelectric stimulation of MNO@MS activated the antioxidant signaling and voltage-gated calcium channels that initiated osteogenic signaling pathways and improved ATP synthesis, ultimately promoting osteogenic differentiation. This study provided a novel strategy to develop piezoelectric biomaterials with multiple biofunctions for the treatment of infectious bone through neurovascular ossification.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"22 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147756228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unlocking low-temperature stable cycling of ultrahigh-nickel LiNi0.91Co0.06Mn0.03O2 cathodes by modulating interfacial chemistry through coordination environment 通过配位环境调节界面化学，解锁超高镍lini0.91 co0.06 mn0.030 o2阴极的低温稳定循环

IF 15.1 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176828

Zichen Liu, Sida Huo, Ben Su, Lei Chai, Guoliang Chen, Chenhang Zhang, Meng Li, Yingjin Wei, Yue Wang, Jingyi Qiu, Wendong Xue

{"title":"Unlocking low-temperature stable cycling of ultrahigh-nickel LiNi0.91Co0.06Mn0.03O2 cathodes by modulating interfacial chemistry through coordination environment","authors":"Zichen Liu, Sida Huo, Ben Su, Lei Chai, Guoliang Chen, Chenhang Zhang, Meng Li, Yingjin Wei, Yue Wang, Jingyi Qiu, Wendong Xue","doi":"10.1016/j.cej.2026.176828","DOIUrl":"https://doi.org/10.1016/j.cej.2026.176828","url":null,"abstract":"Ultrahigh‑nickel layered oxides (NCM, Ni ≥ 0.9) are considered promising next-generation cathodes because of their high energy density. However, their performance at sub-zero temperatures is severely limited by the high Li<sup>+</sup> desolvation barrier at the cathode surface and interfacial structural instability. Herein, a dual-additive strategy utilizing ethyl vinyl sulfone (EVS) and difluoroethylene carbonate (DFEC) is employed to reconstruct the cathode-electrolyte interphase (CEI) via solvation structure modulation, thereby enhancing the cyclability of LiNi<sub>0.91</sub>Co0.06Mn<sub>0.03</sub>O<sub>2</sub>. The synergistic interaction of EVS and DFEC optimizes the solvation sheath by reducing coordinated solvent molecules and free PF<sub>6</sub><sup>−</sup>. Consequently, an in situ derived bilayer CEI is formed, which facilitates interfacial Li<sup>+</sup> transport kinetics and effectively suppresses parasitic reactions by continuously scavenging lattice oxygen. With this tailored electrolyte, NCM||Li half-cells exhibit 74.7% capacity retention after 500 cycles at 25 °C and maintain 93% capacity under −20 °C cycling conditions. Furthermore, 1.4 Ah NCM||Graphite pouch cells demonstrate 82.5% capacity retention after 500 cycles. These findings provide a robust strategy for achieving long-term stability of ultrahigh nickel cathodes in low-temperature applications.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"137 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147756227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of ether oxygen atom distribution in the polymer main and side chains on the lithium-ion conductivity of PEG-based polymer electrolytes 聚合物主链和侧链中醚氧原子分布对聚乙二醇基聚合物电解质锂离子电导率的影响

IF 15.1 1区工程技术

Chemical Engineering Journal Pub Date : 2026-04-30 DOI: 10.1016/j.cej.2026.176871

Zhiyu Chen, Hao Lei, Zhaoyang Wei, Weiwei Lei, Ke Wang, Jun You, Qunchao Zhang, Robert K.Y. Li, Ming Zhou, Qiang Yuan, Dean Shi

{"title":"Effect of ether oxygen atom distribution in the polymer main and side chains on the lithium-ion conductivity of PEG-based polymer electrolytes","authors":"Zhiyu Chen, Hao Lei, Zhaoyang Wei, Weiwei Lei, Ke Wang, Jun You, Qunchao Zhang, Robert K.Y. Li, Ming Zhou, Qiang Yuan, Dean Shi","doi":"10.1016/j.cej.2026.176871","DOIUrl":"https://doi.org/10.1016/j.cej.2026.176871","url":null,"abstract":"The question regarding the optimal distribution of ether oxygen atoms for enhancing lithium-ion conduction in PEG-based polymer electrolytes—whether on the side chains or along the main backbone—is still unresolved. While understanding this issue is critical for the molecular-level design of high-performance PEG-based polymer electrolytes. The controversy over the contribution of backbone versus side-chain ether oxygen atoms lies in the frequent neglect of keeping the total ether oxygen count per repeat unit constant when comparing their effects on lithium-ion transport. Generally, the higher the total number of ether oxygen atoms per repeat unit (under non-crystalline conditions), the higher the lithium-ion conductivity. To address this, we designed a series of polymers (HPUx-y, where x and y are the consecutive EO counts on the backbone and side chains). Their key feature is that the distribution of EO units varies between the backbone and side chains, while the total number of ether oxygen atoms per repeating unit is kept constant (or highly similar). Lithium-ion transport properties (ionic conductivity and transference number) as well as the dissociation degree of lithium salt in the HPUx-y series electrolytes are comprehensively investigated. Our findings indicate that side chain ether oxygen groups contribute more to lithium salt dissociation, leading to a higher dissociation degree. In contrast, the backbone ether oxygen groups, which have relatively weak solvating power, are more critical for facilitating lithium-ion transport and thus yield a higher transference number. Under non-crystalline conditions, the more ether oxygen atoms on the backbone, the more beneficial it is for lithium-ion transport, as long as the side chains contain at least four ether oxygen atoms each. This work provides a valuable design strategy for developing high-performance PEG-based polymer electrolytes.","PeriodicalId":270,"journal":{"name":"Chemical Engineering Journal","volume":"33 1","pages":""},"PeriodicalIF":15.1,"publicationDate":"2026-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147756229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0