Current Opinion in Chemical Engineering最新文献

Toward consistent thermodynamic modeling of CO2 adsorption on Lewatit VPOC 1065 under dry conditions: isotherm variability, data gaps, and model fitting 干燥条件下lewait VPOC 1065上CO2吸附的一致热力学模型：等温线变率，数据缺口和模型拟合

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-12-03 DOI: 10.1016/j.coche.2025.101201

Mattia Galanti, Rens Teunissen, Ivo Roghair, Martin van Sint Annaland

{"title":"Toward consistent thermodynamic modeling of CO2 adsorption on Lewatit VPOC 1065 under dry conditions: isotherm variability, data gaps, and model fitting","authors":"Mattia Galanti, Rens Teunissen, Ivo Roghair, Martin van Sint Annaland","doi":"10.1016/j.coche.2025.101201","DOIUrl":"10.1016/j.coche.2025.101201","url":null,"abstract":"<div><div>Accurate thermodynamic characterization of CO<sub>2</sub> adsorption on solid amine-functionalized sorbents is essential for modeling and optimizing direct air capture (DAC) processes. This study presents a systematic compilation and comprehensive analysis of available adsorption isotherm data for Lewatit® VPOC 1065, one of the most studied benchmark sorbents for DAC applications. Six independent literature datasets were critically evaluated, revealing significant discrepancies in reported adsorption capacities and inconsistencies across the temperature and partial pressure ranges, particularly within the low-pressure regime relevant for DAC. Global fitting of a temperature-dependent Toth model was performed to investigate the capability of this widely used single-mechanism approach to capture experimental trends across the entire dataset. The Toth model demonstrated substantial limitations, particularly at low partial pressures, highlighting inadequacies in representing the complex adsorption behavior of the sorbent. Moreover, comparative analyses indicated that these limitations stem partially from inter-author variability, experimental uncertainties at ultra-low pressures, and potential unknown adsorption mechanisms, for example, a physisorption — chemisorption dual site mode. Based on these insights, future research directions were identified.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101201"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683034","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

Modeling of industrial multiphase reactors 工业多相反应器的建模

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-01-13 DOI: 10.1016/j.coche.2025.101223

Jia Wei Chew , Madhava Syamlal , Ronnie Andersson , Ray Cocco

{"title":"Modeling of industrial multiphase reactors","authors":"Jia Wei Chew , Madhava Syamlal , Ronnie Andersson , Ray Cocco","doi":"10.1016/j.coche.2025.101223","DOIUrl":"10.1016/j.coche.2025.101223","url":null,"abstract":"<div><div>Industrial multiphase reactors remain among the most challenging systems to model due to their complexity, multiscale coupling, and persistent uncertainties in turbulence, interphase transport, and constitutive closures. While traditional approaches combining first-principles physics, empirical correlations, and numerical pragmatism have enabled substantial progress, fundamental limitations persist. This perspective outlines how advances in artificial intelligence (AI), high-performance computing, and, eventually, quantum computing (QC) can steer multiphase modeling toward industry-ready predictive capability with an accuracy unthinkable today.</div><div>AI enables more generalizable, physics-constrained closures, while graphics processing units (GPUs) and exascale platforms already enable industry-scale simulations at unprecedented fidelity. Although QC is a longer-term prospect, hybrid quantum–classical approaches offer pathways to address complexities beyond classical limits. These developments promise to transform modeling workflows and engineering practice, with direct implications for scale-up, reliability, sustainability, and cost reduction. We highlight key research priorities, including multiphase-aware turbulence models, AI-assisted closures, hybrid solvers, computing architectures, and rigorous verification, validation, and uncertainty quantification.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101223"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145972962","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

Exploring the effect of temperature on the stability and scalability of CO2 electrolysis systems with copper electrodes 探讨温度对铜电极CO2电解系统稳定性和可扩展性的影响

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.2026.101231

Kevin Fernández-Caso, Jurriaan Peeters, Ruud Kortlever

{"title":"Exploring the effect of temperature on the stability and scalability of CO2 electrolysis systems with copper electrodes","authors":"Kevin Fernández-Caso, Jurriaan Peeters, Ruud Kortlever","doi":"10.1016/j.coche.2026.101231","DOIUrl":"10.1016/j.coche.2026.101231","url":null,"abstract":"<div><div>The electrochemical reduction of CO<sub>2</sub> using copper-based catalysts represents a promising pathway for producing multi-carbon products from renewable energy. Temperature is a key parameter that not only determines reaction pathways and product selectivity but also strongly affects catalyst stability, electrolyte composition, and membrane integrity. Despite its importance, most studies have primarily focused on catalytic selectivity, often overlooking the thermal and stability aspects recently emphasized in the literature. This perspective underscores the central role of temperature in governing both catalytic performance and the physical and chemical resilience of electrolyzer components under low-temperature (20–80 °C) conditions. These factors become even more critical during scale-up, where heat management and transfer directly influence efficiency and long-term durability, similar to challenges in hydrogen production systems. A comprehensive understanding of thermal effects on both catalytic and non-catalytic elements is therefore essential for optimizing system performance. This work proposes experimental methodologies to evaluate the thermal and chemical stability of catalysts, electrolytes, and membranes, and outlines future research directions aimed at enabling the practical, efficient, and scalable deployment of CO<sub>2</sub> electrolysis through improved thermal design and integrated heat management.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101231"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394679","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

Ionomers impact the performance of gas diffusion electrodes for electrochemical CO2 reduction 离子对电化学CO2还原气体扩散电极性能的影响

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-02-14 DOI: 10.1016/j.coche.2026.101233

Lydia Weseler , Mohamed A Allam , Laia C Ibañez , Christina Roth , Thomas Turek

{"title":"Ionomers impact the performance of gas diffusion electrodes for electrochemical CO2 reduction","authors":"Lydia Weseler , Mohamed A Allam , Laia C Ibañez , Christina Roth , Thomas Turek","doi":"10.1016/j.coche.2026.101233","DOIUrl":"10.1016/j.coche.2026.101233","url":null,"abstract":"<div><div>Ionomers modulate the microenvironment in gas diffusion electrodes (GDEs) for electrochemical CO<sub>2</sub> reduction and can play a decisive role in the development of active and stable electrodes required for industrial implementation. This is achieved by different mechanisms influencing the adsorption and transport parameters, local values of pH and reactant concentrations as well as the wettability of the pore system. We analyze the existing literature describing the impact of ionomers on GDEs for CO<sub>2</sub> reduction on silver catalysts, yielding carbon monoxide, and on copper catalysts promoting the formation of C<sub>2+</sub> products. Despite remarkable progress in recent years, it is still challenging to attribute the changes in the electrode performance to the distinct roles of ionomers due to the multitude of processes occurring and the complexity of the electrodes. We propose to complement advanced experimental techniques for operando studies of working electrodes with simulations obtained from model systems with simplified architectures.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"51 ","pages":"Article 101233"},"PeriodicalIF":6.8,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147394681","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 and machine learning for process and policy design in the transition towards circular economy systems: advancements and opportunities 在向循环经济系统过渡的过程和政策设计中的人工智能和机器学习：进步和机遇

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2025-11-29 DOI: 10.1016/j.coche.2025.101200

Edgar Martín-Hernández , Borja Hernández , Aurora del Carmen Munguia-Lopez , Sidney Omelon

引用次数: 0

Anion exchange membrane electrolysis beyond the lab scale: a review on research and industry stacks 实验室规模以外的阴离子交换膜电解：研究和工业进展综述

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2026-03-01 Epub Date: 2026-01-02 DOI: 10.1016/j.coche.2025.101218

Verónica Rodríguez, Celia Gómez-Sacedón, Paula Sánchez, Antonio de Lucas-Consuegra

引用次数: 0

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

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

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 , Jinsu Kim , 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

引用次数: 0