Pub Date : 2026-03-01Epub Date: 2025-12-22DOI: 10.1016/j.coche.2025.101208
Le Yuan , Saman Shafaei , Huimin Zhao
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.
{"title":"Enzyme property prediction using artificial intelligence","authors":"Le Yuan , Saman Shafaei , 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}
Pub Date : 2026-03-01Epub Date: 2026-01-10DOI: 10.1016/j.coche.2025.101221
Paniz Izadi , Deepak Pant , Falk Harnisch
Combining microbial with electrochemical conversion of CO2 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 CO2 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 CO2 conversion for sustainable chemical production.
{"title":"Integrating electrochemical and microbial processes for CO2 conversion at scale","authors":"Paniz Izadi , Deepak Pant , 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}
Pub Date : 2026-03-01Epub Date: 2026-03-06DOI: 10.1016/j.coche.2026.101238
Darryl F Nater , Patrik Stenner , Nicola C Aust , Tobias Gärtner , Siegfried R Waldvogel
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.
{"title":"Scaling-up electro-organic synthesis: challenges and approaches","authors":"Darryl F Nater , Patrik Stenner , Nicola C Aust , Tobias Gärtner , 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}
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.
通过水电解绿色制氢是向碳中性能源系统过渡的关键组成部分。在现有的技术中，碱性电解（AWE）提供了一种可扩展的、具有成本效益的途径，避免了对贵金属等关键原材料的依赖。然而，AWE系统必须在越来越苛刻的条件下运行，例如由间歇性可再生能源驱动的频繁启动和关闭周期，然而，这可以通过增加资本和运营成本来缓解。此外，AWE系统的经济可行性需要在高电流密度下运行。尽管如此，大多数学术研究仍然是在低电流密度和室温下进行的，这些条件与工业应用相距甚远。这篇综述严格审查了这种传统测试方法的局限性，并强调了在工业代表性条件下评估催化剂活性和耐久性的最新进展：高温（60-80°C），浓缩电解质（20-40 wt% KOH）和高电流密度（≥1 A cm⁻²）。我们探索创新的实验室规模的电池设计，用于内在活性筛选的三电极配置，以及模仿商业堆栈的定制单电池设置。强调了长期稳定性测试的重要性，包括模拟间歇操作的加速压力测试。最后，标准化协议和实验室间验证的需求被强调为弥合学术研究和工业部署之间的差距至关重要，坚固，非贵重AWE电极。
{"title":"Toward industrially relevant testing of activity and stability in alkaline electrolysis electrode materials","authors":"Madis Lüsi , Miha Hotko , Nik Maselj , Aleš Marsel , 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}
Pub Date : 2026-03-01Epub Date: 2025-12-05DOI: 10.1016/j.coche.2025.101203
Simon D Rihm , Aleksandar Kondinski , Markus Kraft
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.
{"title":"Product design, synthesis, and lab automation with The World Avatar","authors":"Simon D Rihm , Aleksandar Kondinski , 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}
Pub Date : 2026-03-01Epub Date: 2026-01-14DOI: 10.1016/j.coche.2025.101224
Tania Itzel Serrano-Arévalo, César Ramírez-Márquez, José María Ponce-Ortega
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.
{"title":"Comprehensive management of energy carriers: a circular economy perspective","authors":"Tania Itzel Serrano-Arévalo, César Ramírez-Márquez, 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}
Alkaline membrane water electrolysis is gaining attention as a hydrogen production technology combining the advantages of the alkaline and proton exchange membrane water electrolysis. To fully utilize the potential of this technology, it is necessary to prepare a membrane-electrode assembly characterized by high efficiency and intensity of electrolysis. One of the vital demands to achieve this target is the establishment of a frequent triple-phase boundary. If a concentrated liquid electrolyte is used, this boundary occurrence is established due to the ionic conductivity of the electrolyte solution. In the case of a diluted liquid electrolyte, in the ideal case, demineralized water circulating through the cell, this task is accomplished by the interactions between catalyst and ionomer, fulfilling the role of binder and ion conductor. This review focuses on advances in the second approach, namely ionomer design, catalyst layer composition, and the impact of the selected parameters such as catalyst to binder ratio, catalyst load, and type of membrane–electrode assembly.
{"title":"Ionomer–catalyst interaction in the catalyst layer for alkaline membrane water electrolysis","authors":"Katerina Hradecna , Anastasiia Hubina , Jaromir Hnat , Karel Bouzek","doi":"10.1016/j.coche.2025.101220","DOIUrl":"10.1016/j.coche.2025.101220","url":null,"abstract":"<div><div>Alkaline membrane water electrolysis is gaining attention as a hydrogen production technology combining the advantages of the alkaline and proton exchange membrane water electrolysis. To fully utilize the potential of this technology, it is necessary to prepare a membrane-electrode assembly characterized by high efficiency and intensity of electrolysis. One of the vital demands to achieve this target is the establishment of a frequent triple-phase boundary. If a concentrated liquid electrolyte is used, this boundary occurrence is established due to the ionic conductivity of the electrolyte solution. In the case of a diluted liquid electrolyte, in the ideal case, demineralized water circulating through the cell, this task is accomplished by the interactions between catalyst and ionomer, fulfilling the role of binder and ion conductor. This review focuses on advances in the second approach, namely ionomer design, catalyst layer composition, and the impact of the selected parameters such as catalyst to binder ratio, catalyst load, and type of membrane–electrode assembly.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101220"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145920729","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}
Pub Date : 2026-03-01Epub Date: 2026-01-09DOI: 10.1016/j.coche.2025.101219
Xiaohao Jia , Ali A Rownaghi , Fateme Rezaei
Direct air capture (DAC) faces significant kinetic and thermodynamic challenges due to the ultra-dilute CO2 concentration in the atmosphere (∼0.04%). Narrowing these gaps is essential for enhancing the efficiency and viability of DAC as a negative emissions technology. This review systematically explores three strategies to address these challenges: (i) optimizing the pore structure of adsorbents, (ii) incorporating surfactants, and (iii) optimizing the regeneration process. By focusing on the above strategies, this study highlights recent advancements in improving adsorption equilibrium and kinetics, and energy efficiency under DAC conditions, which provides insight for guiding future research and advancing DAC technologies.
{"title":"Kinetic and thermodynamic limitations in direct air capture: toward optimized adsorbent design and regeneration strategies","authors":"Xiaohao Jia , Ali A Rownaghi , Fateme Rezaei","doi":"10.1016/j.coche.2025.101219","DOIUrl":"10.1016/j.coche.2025.101219","url":null,"abstract":"<div><div>Direct air capture (DAC) faces significant kinetic and thermodynamic challenges due to the ultra-dilute CO<sub>2</sub> concentration in the atmosphere (∼0.04%). Narrowing these gaps is essential for enhancing the efficiency and viability of DAC as a negative emissions technology. This review systematically explores three strategies to address these challenges: (i) optimizing the pore structure of adsorbents, (ii) incorporating surfactants, and (iii) optimizing the regeneration process. By focusing on the above strategies, this study highlights recent advancements in improving adsorption equilibrium and kinetics, and energy efficiency under DAC conditions, which provides insight for guiding future research and advancing DAC technologies.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101219"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145920730","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}
Pub Date : 2026-03-01Epub Date: 2026-02-24DOI: 10.1016/j.coche.2026.101235
Julia Hoffmann, Bastian JM Etzold
Next-generation alkaline water electrolysis is re-emerging as a key technology for decentralised, renewable-driven hydrogen production, where dynamic operation, cost efficiency and system integration define performance beyond simple scale enlargement. This review examines recent advances in electrocatalyst design, bubble dynamics, cell configuration and operational strategies that target these new requirements. Testing catalysts under industrially relevant temperatures, electrolyte concentrations and current densities reveals realistic active states and degradation pathways, while improved electrode microstructures demonstrate that intrinsic activity and gas–liquid transport must be co-optimised. Bubble behaviour remains a central performance factor, with electrode architectures showing how gas evolution, mass transfer and transport losses are deeply interconnected. At the cell- and system-level, uniform electrolyte distribution, pressure management and hydrogen crossover emerge as critical constraints, particularly under fluctuating loads. Overall, progress increasingly relies on integrating materials innovation with system-level and dynamic validation, highlighting the need for standards and testing protocols tailored to renewable-coupled operation.
{"title":"Progress and perspectives on scaling next-generation alkaline water electrolysis: linking fundamentals to system design","authors":"Julia Hoffmann, Bastian JM Etzold","doi":"10.1016/j.coche.2026.101235","DOIUrl":"10.1016/j.coche.2026.101235","url":null,"abstract":"<div><div>Next-generation alkaline water electrolysis is re-emerging as a key technology for decentralised, renewable-driven hydrogen production, where dynamic operation, cost efficiency and system integration define performance beyond simple scale enlargement. This review examines recent advances in electrocatalyst design, bubble dynamics, cell configuration and operational strategies that target these new requirements. Testing catalysts under industrially relevant temperatures, electrolyte concentrations and current densities reveals realistic active states and degradation pathways, while improved electrode microstructures demonstrate that intrinsic activity and gas–liquid transport must be co-optimised. Bubble behaviour remains a central performance factor, with electrode architectures showing how gas evolution, mass transfer and transport losses are deeply interconnected. At the cell- and system-level, uniform electrolyte distribution, pressure management and hydrogen crossover emerge as critical constraints, particularly under fluctuating loads. Overall, progress increasingly relies on integrating materials innovation with system-level and dynamic validation, highlighting the need for standards and testing protocols tailored to renewable-coupled operation.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101235"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394680","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}
Pub Date : 2026-03-01Epub Date: 2026-03-07DOI: 10.1016/j.coche.2026.101237
Alberto Passalacqua , Rodney O Fox
Accurate modeling of multiphase industrial chemical reactors requires mathematically well-posed models that capture the essential physical phenomena of the flow regime under consideration. We identify key limitations of widely used multiphase Eulerian models, examine their root cause to the light of recent advancements, and indicate a strategy to formulate such models to be more accurate, robust, and less reliant on calibration, based on: (1) well-posed formulations consistent with kinetic equations, ensuring grid-converged solutions free from spurious artifacts; (2) turbulence closures that accurately model energy transfer and cluster-induced turbulence; (3) pseudoturbulence models, crucial for predicting energy and species transport; and (4) realizable moment methods that robustly incorporate polydispersity, polycelerity, turbulent mixing, and, when flows are very dilute, nonequilibrium effects. Areas where further research and improvement are needed are also identified.
{"title":"Euler–Euler multiphase models for chemical reactors","authors":"Alberto Passalacqua , Rodney O Fox","doi":"10.1016/j.coche.2026.101237","DOIUrl":"10.1016/j.coche.2026.101237","url":null,"abstract":"<div><div>Accurate modeling of multiphase industrial chemical reactors requires mathematically well-posed models that capture the essential physical phenomena of the flow regime under consideration. We identify key limitations of widely used multiphase Eulerian models, examine their root cause to the light of recent advancements, and indicate a strategy to formulate such models to be more accurate, robust, and less reliant on calibration, based on: (1) well-posed formulations consistent with kinetic equations, ensuring grid-converged solutions free from spurious artifacts; (2) turbulence closures that accurately model energy transfer and cluster-induced turbulence; (3) pseudoturbulence models, crucial for predicting energy and species transport; and (4) realizable moment methods that robustly incorporate polydispersity, polycelerity, turbulent mixing, and, when flows are very dilute, nonequilibrium effects. Areas where further research and improvement are needed are also identified.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101237"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394683","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}
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