Current Opinion in Chemical Engineering最新文献

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Toward predictive multiscale models for HiGee devices 面向高功率器件的多尺度预测模型
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-02-05 DOI: 10.1016/j.coche.2026.101230
Bing Wang , Siyuan Chen , Hamed Hoorijani , Qingang Xiong , Kevin M Van Geem , Yi Ouyang
{"title":"Toward predictive multiscale models for HiGee devices","authors":"Bing Wang ,&nbsp;Siyuan Chen ,&nbsp;Hamed Hoorijani ,&nbsp;Qingang Xiong ,&nbsp;Kevin M Van Geem ,&nbsp;Yi Ouyang","doi":"10.1016/j.coche.2026.101230","DOIUrl":"10.1016/j.coche.2026.101230","url":null,"abstract":"<div><div>High gravity (HiGee) devices exploit centrifugal fields and compact volumes to intensify transport and reactions. Multiscale modeling advances show how HiGee thins boundary layers, enlarges interfacial areas, and accelerates mixing, heat, and mass transfer, increasing rates in fast reaction systems. A workflow links mechanistic descriptions, computational fluid dynamics reactor simulations, and process-level simulations while identifying gaps at interfaces where turbulence, mass transfer, and kinetics dominate. Priorities include rotation–aware turbulence closures, turbulence–chemistry interaction models for gas–liquid flows, and subgrid or molecular descriptions for reduced-order and process models. Advances drawing on combustion and aerothermodynamics will enable predictive design and scale-up of HiGee devices.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101230"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Artificial intelligence at scale in the chemical industry: from legacy to leadership 化学工业的大规模人工智能:从遗产到领导力
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-02-05 DOI: 10.1016/j.coche.2026.101229
Leo Chiang , Dan Christiansen , Matthew R Malloure , Luis Briceno-Mena , Sun Hye Kim
{"title":"Artificial intelligence at scale in the chemical industry: from legacy to leadership","authors":"Leo Chiang ,&nbsp;Dan Christiansen ,&nbsp;Matthew R Malloure ,&nbsp;Luis Briceno-Mena ,&nbsp;Sun Hye Kim","doi":"10.1016/j.coche.2026.101229","DOIUrl":"10.1016/j.coche.2026.101229","url":null,"abstract":"<div><div>Artificial intelligence (AI) is rapidly transforming the chemical industry, offering solutions to longstanding challenges in optimization, process monitoring and control, and product development. This article provides new insights by explicitly connecting recent technical advances in AI with organizational strategies, offering an integrated perspective on how these elements collectively drive transformation in the chemical industry. While the article discusses the potential of large language models, it places greater emphasis on the critical role of data availability, policies, and broader AI adoption challenges. The article concludes by listing possible improvements achievable through AI and emphasizing the importance of leadership and collaborative initiatives between industry, academia, and government.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101229"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Process systems engineering: a key enabler of adsorption-based direct air capture 过程系统工程:基于吸附的直接空气捕获的关键推动者
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-12-08 DOI: 10.1016/j.coche.2025.101202
Hannah E Holmes , Jinsu Kim , Matthew J Realff
{"title":"Process systems engineering: a key enabler of adsorption-based direct air capture","authors":"Hannah E Holmes ,&nbsp;Jinsu Kim ,&nbsp;Matthew J Realff","doi":"10.1016/j.coche.2025.101202","DOIUrl":"10.1016/j.coche.2025.101202","url":null,"abstract":"<div><div>Direct air capture (DAC) is a promising technology for removing carbon dioxide from the atmosphere. However, its widespread deployment is challenged by high energy requirements, water management, sorbent degradation, integration with variable renewable energy sources, and fluctuating climatic conditions. The design, operation, and control of solid adsorption-DAC systems is a complex problem that requires holistic engineering of the adsorbent material, adsorption system, DAC process, and upstream and downstream operations. In this review, we show how Process Systems Engineering (PSE) can address this multiscale system design challenge by highlighting recent PSE advancements in three areas: (i) process-informed sorbent selection, (ii) heat integration and water management, and (iii) technological viability assessments. We summarize the progress that PSE has made in connecting sorbent properties to system design and optimization, outlining the key metrics and workflow needed to advance from sorbent to comprehensive system evaluation. We highlight effective energy and resource management strategies, such as DAC integration with heat and power generation, the use of renewable electricity or underutilized sources from existing infrastructure, and combined heat and water integration. For viability assessments, we emphasize comprehensive approaches that integrate technoeconomic and life cycle assessments with sorbent degradation, geospatial analysis, and scaling predictions. We conclude with future PSE directions that will be important for scaling adsorption-DAC, including process strategies for variable energy and climate conditions, predictive sorbent degradation models, and optimized scheduling to balance energy and capital.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101202"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Role of artificial intelligence in the chemical industry transition to a sustainable, circular, and net-zero future 人工智能在化学工业向可持续、循环和净零未来转型中的作用
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-02-19 DOI: 10.1016/j.coche.2026.101234
Avan Kumar , Sunghoon Kim , Bhavik R Bakshi
{"title":"Role of artificial intelligence in the chemical industry transition to a sustainable, circular, and net-zero future","authors":"Avan Kumar ,&nbsp;Sunghoon Kim ,&nbsp;Bhavik R Bakshi","doi":"10.1016/j.coche.2026.101234","DOIUrl":"10.1016/j.coche.2026.101234","url":null,"abstract":"<div><div>This review focuses on the role of artificial intelligence (AI) in the transformation of the chemical industry toward a sustainable, circular, and net-zero emissions future. Key areas of contribution include sustainability assessment tools, materials and molecular design, development of circular reaction networks, and modeling of spatial and intermittent systems. We also identify three overarching priorities for improving AI’s role: developing trustworthy AI models for stakeholders, bridging the gap between academic research and industrial practice, and creating open-access platforms for sustainability-related data and trained models. The fundamental requirements of sustainable systems, preventing burden shifting and respecting nature’s limits, must also be satisfied.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101234"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Enzyme property prediction using artificial intelligence 利用人工智能预测酶的性质
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-12-22 DOI: 10.1016/j.coche.2025.101208
Le Yuan , Saman Shafaei , Huimin Zhao
{"title":"Enzyme property prediction using artificial intelligence","authors":"Le Yuan ,&nbsp;Saman Shafaei ,&nbsp;Huimin Zhao","doi":"10.1016/j.coche.2025.101208","DOIUrl":"10.1016/j.coche.2025.101208","url":null,"abstract":"<div><div>Artificial intelligence (AI)-driven enzyme property prediction enables rapid discovery and engineering of enzymes for a wide range of biotechnological and therapeutic applications. Here, we first introduce the key components in AI model development, including enzyme datasets, protein representation methods, and model architectures. We then highlight a variety of AI tools developed for the prediction of enzyme properties and functional annotations, including enzyme structure, kinetic parameters, substrate specificity, thermostability, solubility, Enzyme Commission number, and Gene Ontology term. Moreover, we describe representative downstream applications enabled by these AI tools. Finally, we discuss some challenges and opportunities as well as future prospects.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101208"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Integrating electrochemical and microbial processes for CO2 conversion at scale 整合电化学和微生物过程的二氧化碳转化规模
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-01-10 DOI: 10.1016/j.coche.2025.101221
Paniz Izadi , Deepak Pant , Falk Harnisch
{"title":"Integrating electrochemical and microbial processes for CO2 conversion at scale","authors":"Paniz Izadi ,&nbsp;Deepak Pant ,&nbsp;Falk Harnisch","doi":"10.1016/j.coche.2025.101221","DOIUrl":"10.1016/j.coche.2025.101221","url":null,"abstract":"<div><div>Combining microbial with electrochemical conversion of CO<sub>2</sub> to gain valuable chemical compounds is of paramount importance, with this review providing an assessment of the current state of the scale-up. It introduces and critically examines both direct and indirect strategies that integrate electrochemical and microbial processes for CO<sub>2</sub> utilisation by highlighting the progress achieved at laboratory scales. These advancements have been instrumental in opening new frontiers and identifying fundamental challenges. However, many issues only emerge during scale-up, including limitations related to reactor design, mass transfer, and process stability. We illustrate the need for systematic investigations at pilot and industrial scales, not only to identify and overcome these scale-dependent challenges but also to identify and leverage advantages that come with process intensification and integration. Given the maturity of the technology, we call for setting mandatory essential performance metrics that allow thorough assessment and argue that it is now time to shift the focus toward larger scales to fully realise the potential of bio|electrochemical CO<sub>2</sub> conversion for sustainable chemical production.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101221"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145920731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Product design, synthesis, and lab automation with The World Avatar 产品设计,合成和实验室自动化与世界化身
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-12-05 DOI: 10.1016/j.coche.2025.101203
Simon D Rihm , Aleksandar Kondinski , Markus Kraft
{"title":"Product design, synthesis, and lab automation with The World Avatar","authors":"Simon D Rihm ,&nbsp;Aleksandar Kondinski ,&nbsp;Markus Kraft","doi":"10.1016/j.coche.2025.101203","DOIUrl":"10.1016/j.coche.2025.101203","url":null,"abstract":"<div><div>This paper investigates how digital chemistry technologies such as machine learning, knowledge engineering, and laboratory automation are revolutionizing materials discovery for pressing global challenges in energy and healthcare. We introduce a comprehensive technology framework that integrates advanced databases, artificial intelligence models, semantic ontologies, and robotic systems to address fundamental challenges in chemical research. The World Avatar platform serves as a central case study, demonstrating its unique ability to connect computational design with experimental execution through dynamic and interoperable workflows. Practical applications in reticular chemistry and automated laboratory systems showcase the platform’s capacity to enable autonomous discovery processes. Together, these technological advances are driving chemical research toward more scalable, reproducible, and intelligent materials development approaches.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101203"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Comprehensive management of energy carriers: a circular economy perspective 能源载体的综合管理:循环经济视角
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-01-14 DOI: 10.1016/j.coche.2025.101224
Tania Itzel Serrano-Arévalo, César Ramírez-Márquez, José María Ponce-Ortega
{"title":"Comprehensive management of energy carriers: a circular economy perspective","authors":"Tania Itzel Serrano-Arévalo,&nbsp;César Ramírez-Márquez,&nbsp;José María Ponce-Ortega","doi":"10.1016/j.coche.2025.101224","DOIUrl":"10.1016/j.coche.2025.101224","url":null,"abstract":"<div><div>This article offers an opinion on the current demand and outlook of energy carriers, innovations, and how these carriers are integrated into the industry to optimize the sustainability of supply chains. This article highlights the potential of energy carriers to reduce environmental impact and improve resource efficiency by demonstrating that, while significant challenges such as high initial costs and technological limitations exist, energy carriers also offer opportunities for cost savings, energy efficiency, and enhanced sustainability. The importance of adopting circular economy practices, including advanced recycling and reuse strategies, process optimization, and collaborative efforts across industries and governments, is emphasized.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101224"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Toward industrially relevant testing of activity and stability in alkaline electrolysis electrode materials 工业相关的碱性电解电极材料的活性和稳定性测试
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-12-10 DOI: 10.1016/j.coche.2025.101205
Madis Lüsi , Miha Hotko , Nik Maselj , Aleš Marsel , Nejc Hodnik
{"title":"Toward industrially relevant testing of activity and stability in alkaline electrolysis electrode materials","authors":"Madis Lüsi ,&nbsp;Miha Hotko ,&nbsp;Nik Maselj ,&nbsp;Aleš Marsel ,&nbsp;Nejc Hodnik","doi":"10.1016/j.coche.2025.101205","DOIUrl":"10.1016/j.coche.2025.101205","url":null,"abstract":"<div><div>Green hydrogen production via water electrolysis is a pivotal component of the transition to a carbon-neutral energy system. Among available technologies, alkaline water electrolysis (AWE) offers a scalable, cost-effective pathway that avoids reliance on critical raw materials such as precious metals. However, AWE systems must operate under increasingly demanding conditions such as frequent start-up and shut-down cycles driven by intermittent renewable power, which can be mitigated, however, at an increase in capital and operational costs. Furthermore, AWE systems for economic viability need to operate under high current densities. Despite this, most academic studies are still conducted at low current densities and room temperature, conditions far removed from industrial relevance. This review critically examines the limitations of such traditional testing approaches and highlights recent advances in evaluating catalyst activity and durability under industry-representative conditions: elevated temperatures (60–80°C), concentrated electrolytes (20–40 wt% KOH), and high current densities (≥1 A cm⁻²). We explore innovative laboratory-scale cell designs, three-electrode configurations for intrinsic activity screening, and custom single-cell setups that mimic commercial stacks. The importance of long-term stability testing, including accelerated stress tests simulating intermittent operation, is emphasized. Finally, the need for standardized protocols and interlaboratory validation is underscored as essential for bridging the gap between academic research and industrial deployment of robust, non-precious AWE electrodes.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101205"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Scaling-up electro-organic synthesis: challenges and approaches 扩大电有机合成:挑战和方法
IF 6.8 2区 工程技术
Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-03-06 DOI: 10.1016/j.coche.2026.101238
Darryl F Nater , Patrik Stenner , Nicola C Aust , Tobias Gärtner , Siegfried R Waldvogel
{"title":"Scaling-up electro-organic synthesis: challenges and approaches","authors":"Darryl F Nater ,&nbsp;Patrik Stenner ,&nbsp;Nicola C Aust ,&nbsp;Tobias Gärtner ,&nbsp;Siegfried R Waldvogel","doi":"10.1016/j.coche.2026.101238","DOIUrl":"10.1016/j.coche.2026.101238","url":null,"abstract":"<div><div>The electrosynthetic preparation of organic compounds experiences a strongly increasing attention and evolves into a future methodology. The scalability of these synthetic approaches generated several electrolyzer concepts, including monopolar, bipolar, and rotating electrode setups. With such strategies, scaling into the hectogram and kilogram range is readily viable.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101238"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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