Nature Chemical Engineering最新文献_第10页

Nature Chemical Engineering Pub Date : 2026-03-20 DOI: 10.1038/s44286-026-00372-5

Mo Qiao

引用次数: 0

An end-to-end framework for reactivity in heterogeneous catalysis 多相催化反应性的端到端框架

Nature Chemical Engineering Pub Date : 2026-03-19 DOI: 10.1038/s44286-026-00361-8

Santiago Morandi, Oliver Loveday, Tim Renningholtz, Sergio Pablo-García, Rodrigo A. Vargas-Hernández, Ranga Rohit Seemakurthi, Pol Sanz Berman, Rodrigo García-Muelas, Alán Aspuru-Guzik, Núria López

{"title":"An end-to-end framework for reactivity in heterogeneous catalysis","authors":"Santiago Morandi, Oliver Loveday, Tim Renningholtz, Sergio Pablo-García, Rodrigo A. Vargas-Hernández, Ranga Rohit Seemakurthi, Pol Sanz Berman, Rodrigo García-Muelas, Alán Aspuru-Guzik, Núria López","doi":"10.1038/s44286-026-00361-8","DOIUrl":"10.1038/s44286-026-00361-8","url":null,"abstract":"The rationalization of catalytic processes relies on the fundamental understanding of competing reaction mechanisms driving reactants to products. The list of elementary steps composing the reaction networks is proposed based on chemical intuition and evaluated via density functional theory. This approach is limited by the size of the network and disregards alternative paths. Here we present the Catalytic Automated Reaction Evaluator (CARE), a flexible end-to-end framework for heterogeneous catalysis composed of (1) a rule-based reaction network generator, (2) a thermodynamic and kinetic parameter evaluator powered by state-of-the-art machine learning models and (3) a fast microkinetic solver. CARE reproduces the experimental activity trends in methanol decomposition, identifies the selectivity to C3 products in CO2 electroreduction and generates the Fischer–Tropsch synthesis mechanism including 370,000 reactions reaching C6 products. This comprehensive framework enables the exploration of thermal and electrocatalytic reactions previously not amenable to atomistic simulations. This study presents a framework for the automated generation of reaction networks in heterogeneous catalysis. Powered by state-of-the-art machine learning models, the framework enables the investigation of thermal and electrochemical processes not amenable to density functional theory. The capabilities of its kinetic module are demonstrated by simulating Fischer–Tropsch networks with 37,000 reactions.","PeriodicalId":501699,"journal":{"name":"Nature Chemical Engineering","volume":"3 3","pages":"169-180"},"PeriodicalIF":0.0,"publicationDate":"2026-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.comhttps://www.nature.com/articles/s44286-026-00361-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147570514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Non-equilibrium surfactant partitioning drives self-nanoemulsification for scalable nanocarrier production 非平衡表面活性剂分配驱动可扩展纳米载体生产的自纳米乳化

Nature Chemical Engineering Pub Date : 2026-03-17 DOI: 10.1038/s44286-026-00367-2

Qiang Cao (, ), Ping Zhang (, ), Hong-Yu Yang (, ), Ting-Yuan Hu (, ), Da-Wei Pan (, ), Xiao-Jie Ju (, ), Zhuang Liu (, ), Rui Xie (, ), Nan-Nan Deng (, ), Wei Wang (, ), Liang-Yin Chu (, )

{"title":"Non-equilibrium surfactant partitioning drives self-nanoemulsification for scalable nanocarrier production","authors":"Qiang Cao \u0000 (, ), Ping Zhang \u0000 (, ), Hong-Yu Yang \u0000 (, ), Ting-Yuan Hu \u0000 (, ), Da-Wei Pan \u0000 (, ), Xiao-Jie Ju \u0000 (, ), Zhuang Liu \u0000 (, ), Rui Xie \u0000 (, ), Nan-Nan Deng \u0000 (, ), Wei Wang \u0000 (, ), Liang-Yin Chu \u0000 (, )","doi":"10.1038/s44286-026-00367-2","DOIUrl":"10.1038/s44286-026-00367-2","url":null,"abstract":"Nanocarriers are indispensable in biomedicine, enabling breakthroughs in drug delivery, vaccines and diagnostics. Despite notable successes facilitated by microfluidic technologies, sustainable, low-cost and high-throughput production of monodisperse nanocarriers remains a longstanding challenge. Here we report surfactant-flux-induced interfacial instability, a self-driven nanoemulsification mechanism triggered by non-equilibrium surfactant partitioning at a water–oil interface. This strategy produces 5 l of highly uniform nanoemulsion (0.2 l of disperse phase) in 1 min, producing droplets with diameters as small as 34 nm and polydispersity indices below 0.10. This self-driven nanoemulsification is robust across a broad range of pH values (~3–11) and temperatures (~4–85 °C), demonstrating compatibility with over ten oil–water–surfactant systems and enabling the synthesis of diverse nanocarriers including nanodroplets, micelles, vesicles, polymeric nanoparticles and metal–organic framework nanocrystals. We further demonstrate that surfactant flux underpins the observed interfacial instability, offering a mechanism for nanoemulsification under far-from-equilibrium conditions. This work addresses a bottleneck in nanomanufacturing and provides insights into dynamic surfactant behavior at immiscible interfaces. This study reports a self-driven nanoemulsification mechanism via surfactant-flux-induced interfacial instability, enabling the rapid, scalable production of highly uniform nanocarriers, such as nanodroplets, micelles, vesicles and polymeric nanoparticles, under mild conditions.","PeriodicalId":501699,"journal":{"name":"Nature Chemical Engineering","volume":"3 3","pages":"181-192"},"PeriodicalIF":0.0,"publicationDate":"2026-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147570468","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}

引用次数: 0

Out of equilibrium and into structure 脱离平衡，进入结构

Nature Chemical Engineering Pub Date : 2026-03-16 DOI: 10.1038/s44286-026-00369-0

Ece Büber, Job Boekhoven

引用次数: 0

Reversible post-assembly crosslinking enhances lipid nanoparticle mRNA delivery 可逆组装后交联增强脂质纳米颗粒mRNA传递

Nature Chemical Engineering Pub Date : 2026-03-10 DOI: 10.1038/s44286-026-00371-6

引用次数: 0

Toward more reliable selectivity measurement in aqueous solute–solute separation 在溶质-溶质水分离中更可靠的选择性测量

Nature Chemical Engineering Pub Date : 2026-03-06 DOI: 10.1038/s44286-026-00360-9

Xudong Zhang, Longqian Xu, Bing Zhao, Shihong Lin

引用次数: 0

A hydrogen-molecule-mediated proton-exchange membrane with near-complete permselectivity 一种氢分子介导的质子交换膜，具有近乎完全的透选择性

Nature Chemical Engineering Pub Date : 2026-02-26 DOI: 10.1038/s44286-026-00362-7

Jinwei Xu, Ge Zhang, Siyuan Fang, Jun Li, Xin Xiao, Yusheng Ye, Zewen Zhang, Rong Xu, Jiawei Zhou, Yecun Wu, Wenxiao Huang, Yi Cui

{"title":"A hydrogen-molecule-mediated proton-exchange membrane with near-complete permselectivity","authors":"Jinwei Xu, Ge Zhang, Siyuan Fang, Jun Li, Xin Xiao, Yusheng Ye, Zewen Zhang, Rong Xu, Jiawei Zhou, Yecun Wu, Wenxiao Huang, Yi Cui","doi":"10.1038/s44286-026-00362-7","DOIUrl":"10.1038/s44286-026-00362-7","url":null,"abstract":"Ion exchange membranes play a critical role in environmental sustainability, with applications ranging from separations to energy storage and conversion. However, polymer-based membranes typically suffer from a trade-off between selectivity and conductivity, hindering the development of many membrane-based devices. Here we overcome this trade-off in a proton-exchange membrane (PEM) by enabling hydrogen molecules and electrons to be transported through a gas chamber and a solid metal, respectively, instead of relying on proton conduction. The facile conversion between protons, electrons and hydrogen molecules occurs via hydrogen evolution and oxidation reactions at the triple-phase boundary. This design, which we term hydrogen-molecule-mediated PEM, achieves nearly 100% proton selectivity by eliminating direct ionic pathways between 2 electrolytes. Benefiting from the rapid diffusion of hydrogen gas, the high electrical conductivity of metals, and the fast kinetics of hydrogen evolution and oxidation reactions, hydrogen-molecule-mediated PEM exhibits exceptionally low area-specific resistance of 0.15 Ω cm2 at pH 0 and 1.05 Ω cm2 at pH 14, comparable to commercial membranes. Finally, we demonstrate its applications in a pH-decoupled Zn-MnO2 rechargeable battery with stable operation for 200 cycles and an electrochemical stack for efficient acid and base generation from seawater. This study reports on a hydrogen-molecule-mediated proton-exchange membrane. The design leverages hydrogen evolution and oxidation reactions on gas diffusion electrodes to overcome the typical trade-off between selectivity and conductivity, with demonstrations in a pH-decoupled rechargeable battery and an electrochemical stack for efficient acid and base generation.","PeriodicalId":501699,"journal":{"name":"Nature Chemical Engineering","volume":"3 3","pages":"160-168"},"PeriodicalIF":0.0,"publicationDate":"2026-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147570520","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}

引用次数: 0

Cutting the cord for high-throughput electrochemistry 切断了高通量电化学的束缚

Nature Chemical Engineering Pub Date : 2026-02-24 DOI: 10.1038/s44286-026-00358-3

Song Lin, Paul L. McEuen

引用次数: 0

The future of carbon capture, utilization and storage technologies 碳捕获、利用和封存技术的未来

Nature Chemical Engineering Pub Date : 2026-02-24 DOI: 10.1038/s44286-026-00366-3

引用次数: 0

Reactor engineering for converting CO2 to solid carbon 将二氧化碳转化为固体碳的反应器工程

Nature Chemical Engineering Pub Date : 2026-02-23 DOI: 10.1038/s44286-026-00359-2

Yong Yuan, Samay Garg, Jingguang G. Chen

引用次数: 0