Pub Date : 2026-03-01Epub Date: 2026-01-21DOI: 10.1016/j.coche.2025.101225
Anthony G Dixon
Particle-resolved computational fluid dynamics (PRCFD) has recently been widely adopted by multiple research groups for the mathematical modeling of fixed-bed chemical reactors. At present, simulations are limited to handling a few hundred to a thousand particles, but real fixed-bed reactors can consist of tens to hundreds of thousands of particles. The question is how to anchor PRCFD models to real-world fixed-bed reactors. This review focuses on approaches to that question, including developing the ability to obtain more useful PRCFD models by increasing the number of particles or including more realistic reaction kinetics, improving PRCFD methodology, applying PRCFD to new reactor configurations and non-spherical particle shapes, and using PRCFD to provide a fundamental understanding that can be transferred into effective continuum models at the full reactor scale. Future directions are discussed, including the use of tools such as machine learning to extend the capabilities of PRCFD modeling.
{"title":"Recent developments in the application of particle-resolved CFD to fixed-bed reactors","authors":"Anthony G Dixon","doi":"10.1016/j.coche.2025.101225","DOIUrl":"10.1016/j.coche.2025.101225","url":null,"abstract":"<div><div>Particle-resolved computational fluid dynamics (PRCFD) has recently been widely adopted by multiple research groups for the mathematical modeling of fixed-bed chemical reactors. At present, simulations are limited to handling a few hundred to a thousand particles, but real fixed-bed reactors can consist of tens to hundreds of thousands of particles. The question is how to anchor PRCFD models to real-world fixed-bed reactors. This review focuses on approaches to that question, including developing the ability to obtain more useful PRCFD models by increasing the number of particles or including more realistic reaction kinetics, improving PRCFD methodology, applying PRCFD to new reactor configurations and non-spherical particle shapes, and using PRCFD to provide a fundamental understanding that can be transferred into effective continuum models at the full reactor scale. Future directions are discussed, including the use of tools such as machine learning to extend the capabilities of PRCFD modeling.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101225"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146022527","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: 2026-02-04DOI: 10.1016/j.coche.2026.101227
Paul Feron , Ali Kiani
The use of amine solutions for direct air capture (DAC) can draw on the extensive experience from post-combustion CO2-capture (PCC) applications. The low CO2 concentration in air, however, results in the need for significantly altered process designs, different equipment and new liquid absorbents, while retaining the overall process essentials of the thermal swing-driven CO2-capture process. Here, we explore several DAC process design considerations and formulate key DAC process attributes, using publicly available results from DAC process modelling.
{"title":"Amine solutions for CO2-capture: how to get from PCC to DAC?","authors":"Paul Feron , Ali Kiani","doi":"10.1016/j.coche.2026.101227","DOIUrl":"10.1016/j.coche.2026.101227","url":null,"abstract":"<div><div>The use of amine solutions for direct air capture (DAC) can draw on the extensive experience from post-combustion CO<sub>2</sub>-capture (PCC) applications. The low CO<sub>2</sub> concentration in air, however, results in the need for significantly altered process designs, different equipment and new liquid absorbents, while retaining the overall process essentials of the thermal swing-driven CO<sub>2</sub>-capture process. Here, we explore several DAC process design considerations and formulate key DAC process attributes, using publicly available results from DAC process modelling.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101227"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394682","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 : 2025-12-01Epub Date: 2025-11-21DOI: 10.1016/j.coche.2025.101199
Afroditi Kourou, Siyuan Chen, Thiranya Tillekeratne, Geraldine J Heynderickx, Yi Ouyang, Kevin M Van Geem
Direct air capture (DAC) plays a crucial role in mitigating climate change, although it currently faces challenges such as high costs and low efficiency. Emerging novel contactor designs aim to reduce pressure drops and minimize mass and heat transfer resistances. Recent research trends focus on intensification and integration strategies, including high-gravity technology, electrification, innovative heating methods, and combining DAC with conversion techniques. Optimizing geometry and operational conditions is essential to advance these proof-of-concept studies towards industrial application.
{"title":"Direct air capture: novel contactor designs and intensification strategies","authors":"Afroditi Kourou, Siyuan Chen, Thiranya Tillekeratne, Geraldine J Heynderickx, Yi Ouyang, Kevin M Van Geem","doi":"10.1016/j.coche.2025.101199","DOIUrl":"10.1016/j.coche.2025.101199","url":null,"abstract":"<div><div>Direct air capture (DAC) plays a crucial role in mitigating climate change, although it currently faces challenges such as high costs and low efficiency. Emerging novel contactor designs aim to reduce pressure drops and minimize mass and heat transfer resistances. Recent research trends focus on intensification and integration strategies, including high-gravity technology, electrification, innovative heating methods, and combining DAC with conversion techniques. Optimizing geometry and operational conditions is essential to advance these proof-of-concept studies towards industrial application.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101199"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145568786","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 : 2025-12-01Epub Date: 2025-11-01DOI: 10.1016/j.coche.2025.101195
Roberto Mennitto , Richard Blom , Maurice Dörr , Marian Rosental , Nils Rettenmaier
Direct air capture (DAC) is a pivotal technology for achieving net-zero emissions, yet its scalability is constrained by energy intensity and material limitations. This work critically examines the current landscape of solid sorbents for DAC, focusing on their performance, durability, and environmental impact. Key sorbent classes — amine-functionalized materials, carbonates, zeolites, and metal-organic frameworks — are evaluated in terms of CO₂ uptake, energy requirements, and life cycle emissions. A novel exergetic efficiency metric is introduced, incorporating sorbent degradation to better reflect real-world performance. Structured supports such as laminates and monoliths are discussed for their role in enhancing mass transfer and reducing pressure drop, though often at increased cost and environmental burden. Life cycle assessment (LCA) results highlight that energy consumption dominates DAC’s carbon footprint, with sorbent-related impacts becoming significant only for short-lived or energy-intensive materials. Emerging materials like hydroxylated activated carbon, along with alternative processes such as moisture swing adsorption and electrochemical DAC, offer promising pathways to reduce energy demand and improve sustainability. The work underscores the need for integrated assessments that link sorbent properties, process design, and environmental metrics from early development stages. Future research should prioritise sorbent longevity, comprehensive kinetic data, and inclusion of support structures in LCA models to enable cost-effective and climate-positive DAC deployment.
{"title":"Solid sorbents for direct air capture: a technological and environmental perspective","authors":"Roberto Mennitto , Richard Blom , Maurice Dörr , Marian Rosental , Nils Rettenmaier","doi":"10.1016/j.coche.2025.101195","DOIUrl":"10.1016/j.coche.2025.101195","url":null,"abstract":"<div><div>Direct air capture (DAC) is a pivotal technology for achieving net-zero emissions, yet its scalability is constrained by energy intensity and material limitations. This work critically examines the current landscape of solid sorbents for DAC, focusing on their performance, durability, and environmental impact. Key sorbent classes — amine-functionalized materials, carbonates, zeolites, and metal-organic frameworks — are evaluated in terms of CO₂ uptake, energy requirements, and life cycle emissions. A novel exergetic efficiency metric is introduced, incorporating sorbent degradation to better reflect real-world performance. Structured supports such as laminates and monoliths are discussed for their role in enhancing mass transfer and reducing pressure drop, though often at increased cost and environmental burden. Life cycle assessment (LCA) results highlight that energy consumption dominates DAC’s carbon footprint, with sorbent-related impacts becoming significant only for short-lived or energy-intensive materials. Emerging materials like hydroxylated activated carbon, along with alternative processes such as moisture swing adsorption and electrochemical DAC, offer promising pathways to reduce energy demand and improve sustainability. The work underscores the need for integrated assessments that link sorbent properties, process design, and environmental metrics from early development stages. Future research should prioritise sorbent longevity, comprehensive kinetic data, and inclusion of support structures in LCA models to enable cost-effective and climate-positive DAC deployment.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101195"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412648","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 : 2025-12-01Epub Date: 2025-11-08DOI: 10.1016/j.coche.2025.101194
Laura Clarizia, Tejraj M Aminabhavi, Gunda Mohanakrishna, Nicolas Keller, Cui Y Toe
{"title":"Editorial overview: Solar photocatalytic and photoelectrochemical hydrogen evolution using novel and effective materials","authors":"Laura Clarizia, Tejraj M Aminabhavi, Gunda Mohanakrishna, Nicolas Keller, Cui Y Toe","doi":"10.1016/j.coche.2025.101194","DOIUrl":"10.1016/j.coche.2025.101194","url":null,"abstract":"","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101194"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462594","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 : 2025-12-01Epub Date: 2025-10-30DOI: 10.1016/j.coche.2025.101193
Hamed Hoorijani, Yi Ouyang, Geraldine J Heynderickx, Kevin M Van Geem
Multiphase flow reactors are fundamental to industrial processes, but they remain challenging to model due to their inherently multiscale dynamics. While experiments and traditional physics-based models have advanced our understanding, their cost and complexity limit the study of large-scale systems and applications. Data-driven modeling has emerged as a promising alternative, enabling efficient prediction of transport–reaction phenomena across scales. This review categorizes state-of-the-art approaches into three main groups: reduced order models that simplify high-fidelity simulations, hybrid physics-data approaches that couple data models with physics-based simulations, and fully data-driven frameworks that leverage operator-learning and neural surrogates. Particular emphasis is placed on cross-scale learning for developing data models, as well as on emerging architectures such as PINN-based frameworks, neural operators, and transformer-inspired GPT models. Challenges in data availability, interpretability, and geometry transfer are discussed, along with future opportunities for reactor digitalization, adaptive control, and decarbonization through multiscale integration of data-driven models.
{"title":"Data across the scales: data-driven multiphase flow reactor modeling","authors":"Hamed Hoorijani, Yi Ouyang, Geraldine J Heynderickx, Kevin M Van Geem","doi":"10.1016/j.coche.2025.101193","DOIUrl":"10.1016/j.coche.2025.101193","url":null,"abstract":"<div><div>Multiphase flow reactors are fundamental to industrial processes, but they remain challenging to model due to their inherently multiscale dynamics. While experiments and traditional physics-based models have advanced our understanding, their cost and complexity limit the study of large-scale systems and applications. Data-driven modeling has emerged as a promising alternative, enabling efficient prediction of transport–reaction phenomena across scales. This review categorizes state-of-the-art approaches into three main groups: reduced order models that simplify high-fidelity simulations, hybrid physics-data approaches that couple data models with physics-based simulations, and fully data-driven frameworks that leverage operator-learning and neural surrogates. Particular emphasis is placed on cross-scale learning for developing data models, as well as on emerging architectures such as PINN-based frameworks, neural operators, and transformer-inspired GPT models. Challenges in data availability, interpretability, and geometry transfer are discussed, along with future opportunities for reactor digitalization, adaptive control, and decarbonization through multiscale integration of data-driven models.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101193"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412647","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 : 2025-12-01Epub Date: 2025-10-11DOI: 10.1016/j.coche.2025.101190
Tim M Nisbet, Alexander W van der Made
Direct air capture (DAC) is a crucial carbon dioxide removal (CDR) technology for achieving net-zero emissions by balancing atmospheric CO₂ release with removal. It serves two key roles: (a) when integrated with Carbon Capture and Storage (DAC-CCS), it enables permanent CO₂ removal to offset emissions from hard-to-abate sources like aviation; and (b) when combined with Carbon Capture and Utilization (DAC-CCU), it provides non-fossil CO₂ for producing defossilized fuels and zero-carbon chemicals. To fulfill these roles, DAC systems must be scalable and economically viable. While academic studies often focus on assessing sorbent performance under a limited range of weather conditions and for limited periods, we advocate that industrial scale deployment demands DAC systems with additional key features such as low pressure drop, high reliability for long periods (years) in a wide range of weather conditions (temperature, relative humidity), resistance to fouling from particulates in air, and without loss of performance by reingestion of CO2 depleted air. These key features are more commonly addressed in patent literature by companies nearing commercialization rather than in academic publications. Moreover, DAC technologies must be capital-efficient, and use low-cost, recyclable sorbents.
{"title":"Direct air capture of CO2: an industrial perspective","authors":"Tim M Nisbet, Alexander W van der Made","doi":"10.1016/j.coche.2025.101190","DOIUrl":"10.1016/j.coche.2025.101190","url":null,"abstract":"<div><div>Direct air capture (DAC) is a crucial carbon dioxide removal (CDR) technology for achieving net-zero emissions by balancing atmospheric CO₂ release with removal. It serves two key roles: (a) when integrated with Carbon Capture and Storage (DAC-CCS), it enables permanent CO₂ removal to offset emissions from hard-to-abate sources like aviation; and (b) when combined with Carbon Capture and Utilization (DAC-CCU), it provides non-fossil CO₂ for producing defossilized fuels and zero-carbon chemicals. To fulfill these roles, DAC systems must be scalable and economically viable. While academic studies often focus on assessing sorbent performance under a limited range of weather conditions and for limited periods, we advocate that industrial scale deployment demands DAC systems with additional key features such as low pressure drop, high reliability for long periods (years) in a wide range of weather conditions (temperature, relative humidity), resistance to fouling from particulates in air, and without loss of performance by reingestion of CO2 depleted air. These key features are more commonly addressed in patent literature by companies nearing commercialization rather than in academic publications. Moreover, DAC technologies must be capital-efficient, and use low-cost, recyclable sorbents.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101190"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263086","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 : 2025-12-01Epub Date: 2025-09-15DOI: 10.1016/j.coche.2025.101180
Jeffrey R. McCutcheon , Meagan Mauter
{"title":"Editorial overview: Transforming water technologies in the United States: Insights from the National Alliance for Water Innovation","authors":"Jeffrey R. McCutcheon , Meagan Mauter","doi":"10.1016/j.coche.2025.101180","DOIUrl":"10.1016/j.coche.2025.101180","url":null,"abstract":"","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101180"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060992","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 : 2025-12-01Epub Date: 2025-09-09DOI: 10.1016/j.coche.2025.101179
Hugo de Lasa, Angelo Escudero Romero
This article reviews the performance of a photocatalytic Photo-CREC Water-II unit powered by near-UV, or alternatively by visible light, for hydrogen production via water splitting. The radiation equation and its solution are established via a Monte Carlo (MC) method, with simulations being validated experimentally with macroscopic radiation balances. A mesoporous anatase matrix with added palladium photocatalyst with good fluidizability properties is synthesized. The photocatalyst performance is evaluated using QYs (quantum yields) and PTEFs (photocatalytic thermodynamic efficiency factors). It is shown that the TiO2–noble metal photocatalyst displays, in Photo-CREC Water-II using near-UV and ethanol as a scavenger, QYs and PTEFs of 0.35 and 0.247, respectively. The reported results pave the way for establishing the irradiation, the photocatalyst loading, the ethanol scavenger concentration, and the pH operating conditions required in an upscaled slurry Photo-CREC Water-II reactor, for producing commercially significant amounts of H2.
本文综述了光催化photocrec water - ii装置的性能，该装置由近紫外或可见光驱动，通过水裂解制氢。利用蒙特卡罗方法建立了辐射方程及其解，并用宏观辐射天平进行了模拟实验验证。合成了一种具有良好流化性能的介孔锐钛矿基质。用QYs（量子产率）和PTEFs（光催化热力学效率因子）来评价光催化剂的性能。结果表明，在近紫外和乙醇作为清除剂的photocrec Water-II中，tio2 -贵金属光催化剂的QYs和PTEFs分别为0.35和0.247。报道的结果为在升级后的浆状photocrec Water-II反应器中建立所需的辐照、光催化剂负载、乙醇清除剂浓度和pH操作条件铺平了道路，以生产商业上大量的H2。
{"title":"Photocatalytic slurry reactor for hydrogen production via water splitting","authors":"Hugo de Lasa, Angelo Escudero Romero","doi":"10.1016/j.coche.2025.101179","DOIUrl":"10.1016/j.coche.2025.101179","url":null,"abstract":"<div><div>This article reviews the performance of a photocatalytic Photo-CREC Water-II unit powered by near-UV, or alternatively by visible light, for hydrogen production via water splitting. The radiation equation and its solution are established via a Monte Carlo (MC) method, with simulations being validated experimentally with macroscopic radiation balances. A mesoporous anatase matrix with added palladium photocatalyst with good fluidizability properties is synthesized. The photocatalyst performance is evaluated using QYs (quantum yields) and PTEFs (photocatalytic thermodynamic efficiency factors). It is shown that the TiO<sub>2</sub>–noble metal photocatalyst displays, in Photo-CREC Water-II using near-UV and ethanol as a scavenger, QYs and PTEFs of 0.35 and 0.247, respectively. The reported results pave the way for establishing the irradiation, the photocatalyst loading, the ethanol scavenger concentration, and the pH operating conditions required in an upscaled slurry Photo-CREC Water-II reactor, for producing commercially significant amounts of H<sub>2</sub>.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101179"},"PeriodicalIF":6.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145020725","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}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号