Green Chemical Engineering最新文献

{"title":"OFC: Outside Front Cover","authors":"","doi":"10.1016/S2666-9528(25)00064-0","DOIUrl":"10.1016/S2666-9528(25)00064-0","url":null,"abstract":"","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Page OFC"},"PeriodicalIF":7.6,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Outside Back Cover","authors":"","doi":"10.1016/S2666-9528(25)00072-X","DOIUrl":"10.1016/S2666-9528(25)00072-X","url":null,"abstract":"","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Page OBC"},"PeriodicalIF":7.6,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A multiscale investigation combining thermodynamic modeling and molecular dynamics study on CO2 capture with [N1111][Triz]-H2O solvent","authors":"Haichuan Yin ,&nbsp;Yan Xu ,&nbsp;Xiaochun Zhang ,&nbsp;Xu Wang ,&nbsp;Peng Yang ,&nbsp;Guoxiong Zhan ,&nbsp;Yinge Bai ,&nbsp;Zhenlei Zhang ,&nbsp;Xiangping Zhang","doi":"10.1016/j.gce.2025.06.008","DOIUrl":"10.1016/j.gce.2025.06.008","url":null,"abstract":"<div><div>The urgent need to mitigate anthropogenic CO₂ emissions has driven the development of energy-efficient carbon capture systems. This study investigated a [N₁₁₁₁][Triz]-H₂O hybrid solvent for CO₂ capture using integrated experimental and computational approaches. A multiscale methodology combining thermodynamic analysis, phase equilibrium measurements, and molecular dynamics (MD) simulations was employed to elucidate the absorption mechanisms and the composition-property relationships. The thermodynamic analysis, incorporating Henry's law, the non-random two-liquid (NRTL) model for activity coefficients, the Redlich-Kwong equation, and reaction equilibrium constraints, accurately predicted the gas-liquid equilibrium (GLE) behavior, achieving an R² of 99.1% and an average absolute relative deviation (AARD) of 7.76%. The [N₁₁₁₁][Triz]-H₂O hybrid solvent exhibits exceptional CO₂ absorption performance, with a capacity of 0.25 mol/mol (at 313.15 K and 0.025 MPa for <em>w</em>_IL = 80%), attributed to synergistic physical-chemical interactions. MD simulations reveal the dynamic CO₂ absorption process in [N₁₁₁₁][Triz]-H₂O hybrid solvents: CO₂ molecules preferentially accumulate at the gas-liquid interface before gradually diffusing into the bulk phase. Increasing the [N₁₁₁₁][Triz] content enhances CO₂ absorption capacity by providing more interaction sites, while water modulates interfacial behavior and diffusion kinetics. This research provides in-depth insights into the absorption behaviors of [N₁₁₁₁][Triz]-H₂O hybrid solvents for CO₂, offering theoretical support for the development of efficient CO₂ capture solvents and highlighting its potential for industrial implementation.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 591-599"},"PeriodicalIF":7.6,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sustainable hybrid photo/electro-enzyme systems for CO2 conversion","authors":"Wanrong Dong ,&nbsp;Jinde Cai ,&nbsp;Qimei Sun ,&nbsp;Likun Luan ,&nbsp;Xiuling Ji ,&nbsp;Shaojuan Zeng ,&nbsp;Yuhong Huang","doi":"10.1016/j.gce.2025.06.006","DOIUrl":"10.1016/j.gce.2025.06.006","url":null,"abstract":"<div><div>Carbon dioxide (CO₂), as an abundant and renewable carbon feedstock, holds immense potential for sustainable biomanufacturing. However, natural carbon fixation pathways, such as the Calvin-Benson-Bassham (CBB) cycle and the reverse tricarboxylic acid (rTCA) cycle, suffer from intrinsic limitations, including low catalytic efficiency, high adenosine triphosphate (ATP) consumption, and oxygen sensitivity. Recent advances in synthetic biology and metabolic engineering have pioneered artificial pathways (<em>e.g.</em>, the crotonyl-CoA/ethylmalonyl-CoA/hydroxybutyryl-CoA (CETCH) cycle) that bypass central metabolism, achieving higher fixation rates with reduced ATP consumption. Concurrently, photocatalytic and electrocatalytic systems have emerged as complementary strategies to address cofactor dependency and CO₂ activation thermodynamic barriers. This review summarizes breakthroughs in (i) rational design for CO₂ conversion pathway optimization, (ii) photocatalysis, and (iii) electrocatalysis for CO₂ activation and cofactor regeneration. By integrating these disciplines, synergistic systems achieve unprecedented efficiency in converting CO₂ to C<em>n</em> compounds (<em>e.g.</em>, ethanol, glyoxylate, sugar, and starch) and establish a foundation for scalable carbon-negative biotechnologies. However, challenges remain, including enzyme denaturation under operational stresses, inefficiencies in multi-enzyme cascades due to kinetic mismatches, and the need for sustainable metrics to ensure net-negative carbon footprints. Future research should prioritize material innovation, CO₂ assimilation system integration, and optimization to unlock higher efficiency CO₂ conversion, aligning with global decarbonization goals while producing high-value chemicals.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 518-537"},"PeriodicalIF":7.6,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The investigation of the reaction mechanism of CO2 in HMDA/DEEA and EAE/1DMA2P aqueous solution systems","authors":"Can Lv,&nbsp;Yimin Deng,&nbsp;Dongfang Zhao,&nbsp;Miyi Li,&nbsp;Helei Liu","doi":"10.1016/j.gce.2025.06.003","DOIUrl":"10.1016/j.gce.2025.06.003","url":null,"abstract":"<div><div>Revealing the reaction mechanism of CO₂ absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO₂ capture mechanisms of blended amine systems, specifically 1,6-hexamethyl diamine (HMDA)-N,N-diethylethanolamine (DEEA) and 2-(ethylamino)ethanol (EAE)-1-dimethylamino-2-propanol (1DMA2P), utilizing ¹³C nuclear magnetic resonance (NMR) spectroscopy and quantum mechanical calculations. The ¹³C NMR analysis identified the formation and conversion of species during CO₂ absorption, while quantum calculations elucidated the reaction energetics. The results indicate that tertiary amines (DEEA or 1DMA2P) facilitate CO₂ absorption by promoting the desorption of protonated primary amines (HMDA or EAE), thereby enhancing the absorption rate. This research provides insights into the role of tertiary amines in blended systems, guiding the development of efficient and low-energy amine solvents for CO₂ capture.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 582-590"},"PeriodicalIF":7.6,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unique compounds functionalized with three-membered cyclic structures","authors":"Yuan Yao ,&nbsp;Yingying Cao ,&nbsp;Long Liu ,&nbsp;Yanqiang Zhang","doi":"10.1016/j.gce.2025.06.005","DOIUrl":"10.1016/j.gce.2025.06.005","url":null,"abstract":"<div><div>Three-membered cyclic compounds are a fascinating class of compounds: they have the maximum torsional and angular strain (sp³ hybridization but bond angles deviate from 109°28’), and possess unique physical and chemical properties. A lot of effort has been devoted to their synthesis and applications in recent years. This review provides an overview of various synthesis strategies for three-membered cyclic compounds, and summarizes the proposed reaction mechanisms and key issues such as structure-property relationships through specific examples. Meanwhile, the advantages and disadvantages of different synthesis strategies were discussed, including the recently developed electrochemical synthesis methods. Finally, the prospects and challenges for further scientific research and practical applications of three-membered cyclic compounds were emphasized. The summary of three-membered cyclic compounds is beneficial for the development and utilization of novel functionalized molecules.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 494-517"},"PeriodicalIF":7.6,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular-level imaging of hydrogen-bonded organic frameworks by cryogenic low-dose electron microscopy","authors":"Yikuan Liu ,&nbsp;Yanbin Chen ,&nbsp;Liwei Xia ,&nbsp;Shuo Zhang,&nbsp;Zhangnan Zhong,&nbsp;Liwei Wang,&nbsp;Yujie Huang,&nbsp;Xinru Jiang,&nbsp;Mengru Bu,&nbsp;Qunfeng Zhang,&nbsp;Xiaonian Li,&nbsp;Yihan Zhu","doi":"10.1016/j.gce.2025.06.004","DOIUrl":"10.1016/j.gce.2025.06.004","url":null,"abstract":"<div><div>The fundamental problems associated with structural inhomogeneities of hydrogen-bonded organic frameworks (HOFs), such as surface terminations and host-guest heterostructures that govern their functionalities and growth mechanisms, remain a critical gap in knowledge. This arises from the lack of advanced real-space structural characterization tools with molecular precision. By leveraging state-of-the-art cryogenic low-dose electron microscopy, this work overcomes the beam damage limitations of traditional techniques and elucidates the crystal structures, surface terminations, and host-guest structures of HOFs at molecular-level. Real-space observations confirm lateral crystal growth consistent with the terrace-ledge-kink (TLK) model, but deviate from the classical monomer-addition mechanism. Instead, we propose a nonclassical cooperative multisite monomer-addition mechanism, where simultaneous monomer addition at both framework and guest sites eventually drives crystal faceting.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 439-446"},"PeriodicalIF":7.6,"publicationDate":"2025-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unlocking deep eutectic solvent knowledge through a large language model-driven framework and an interactive AI agent","authors":"Xiting Peng ,&nbsp;Yi Shen Tew ,&nbsp;Kai Zhao ,&nbsp;Chi Wang ,&nbsp;Ren'ai Li ,&nbsp;Shanying Hu ,&nbsp;Xiaonan Wang","doi":"10.1016/j.gce.2025.05.006","DOIUrl":"10.1016/j.gce.2025.05.006","url":null,"abstract":"<div><div>Artificial intelligence (AI) is playing an important role in advancing green chemical engineering, while the lack of data remains a primary challenge in many fields. Deep eutectic solvents (DESs) are a promising alternative to traditional organic solvents. However, the exploration of new DES formulations has long been constrained by trial-and-error research methods, a preference for familiar formulations, and a lack of easily accessible DES databases. This study proposes a framework driven by large language models (LLMs) for accurately and efficiently extracting data in the DES field, accelerating knowledge discovery. By coordinating LLMs and tools through predefined code paths, we extracted 34,027 data records and 9,215 unique DES formulations from 14,602 research articles, achieving an accuracy of over 90%, thereby creating a comprehensive domain knowledge base. An LLM-driven interactive agent has been deployed on an online platform, further facilitating access to this structured data and enabling researchers to overcome data limitations and accelerate the discovery of new DES formulations.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 572-581"},"PeriodicalIF":7.6,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Aqueous polyamine-based deep eutectic solvent: balancing stability, CO2 absorption/desorption performance, and post-absorption viscosity","authors":"Kaige Jia,&nbsp;Qiangbing Shi,&nbsp;Xiaoyan Ji","doi":"10.1016/j.gce.2025.06.001","DOIUrl":"10.1016/j.gce.2025.06.001","url":null,"abstract":"<div><div>Deep eutectic solvents (DESs) have gained significant attention as potential absorbents for CO₂ capture due to their tunable physicochemical properties and environmental sustainability. However, achieving a balance of thermal stability, absorption/desorption performance, and viscosity remains a critical challenge for industrial applications. To address this, a novel aqueous polyamine-based DES system was developed using an ionic liquid with high stability<strong>–</strong>PzCl (piperazine chloride, P), as a hydrogen bond acceptor (HBA); a polyamine with multiple active sites, DETA (diethylenetriamine, D), as a hydrogen bond donor (HBD), and H₂O as co-solvent. By systematically optimizing the molar ratio of PzCl to DETA, [PzCl][DETA] (PD) with a 1:5 molar ratio was identified as the optimal one based on the absorption capacity/rate, thermal stability, post-absorption viscosity, and desorption efficiency of its aqueous solution. Further investigation into the water content revealed that 30 wt% [PzCl][DETA] (1:5) effectively balanced the CO₂ absorption capacity (0.168 g-CO₂/g-absorbent) and desorption efficiency (54%), more outstanding than those of 30 wt% MEA (0.126 g-CO₂/g-absorbent and 47%, respectively), and provided acceptable post-absorption viscosity (8.11 mPa·s), which was slightly higher than that of 30 wt% MEA (3.77 mPa·s) but lower than 10 mPa·s. These findings provide a scalable framework for designing sustainable absorbents that harmonize high performance with operational viability. This work bridges the gap between laboratory-scale innovations and industrial implementation in carbon capture technologies.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 562-571"},"PeriodicalIF":7.6,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Stabilizing the cathode-electrolyte interphase for superior Li-ion batteries","authors":"Yunze Zhang ,&nbsp;Jian Wang","doi":"10.1016/j.gce.2025.05.010","DOIUrl":"10.1016/j.gce.2025.05.010","url":null,"abstract":"<div><div>The cathode-electrolyte interphase (CEI) plays a pivotal role in determining the energy density and cycling stability of lithium-ion batteries. However, its complex formation mechanisms, dynamic evolution, and interplay with battery components pose significant challenges for a fundamental understanding and targeted regulation. While prior research has focused on modifying bulk electrolyte solvation structures and applying inert cathode coatings, this perspective analyzes the mechanisms of CEI formation and stabilization, with particular emphasis on cathode pre-interphase engineering, near-surface electric double-layer modulation, and functional coating design. Future research prospects are outlined, highlighting the advanced <em>in situ</em> characterization techniques with high spatiotemporal resolution to probe transient interfacial processes, along with innovative strategies for constructing CEI architectures.</div></div>","PeriodicalId":66474,"journal":{"name":"Green Chemical Engineering","volume":"6 4","pages":"Pages 447-455"},"PeriodicalIF":7.6,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}