Journal of CO2 Utilization最新文献

{"title":"Bridging molecular interactions and macroscopic thermodynamics in deep eutectic solvents for CO₂ capture","authors":"Alberto Gutiérrez ,&nbsp;Hoda Moslehi ,&nbsp;Santiago Aparicio ,&nbsp;Sayed Mostafa Hosseini","doi":"10.1016/j.jcou.2026.103456","DOIUrl":"10.1016/j.jcou.2026.103456","url":null,"abstract":"<div><div>Deep eutectic solvents (DESs) offer a sustainable route to low-energy CO₂ capture owing to their tunable structure, low volatility, and recyclability. However, establishing clear relationships between molecular structure, thermophysical behaviour, and gas solubility remains essential for the rational design of next-generation DES-based capture systems. In this work, we integrate semi-empirical modeling with molecular dynamics (MD) simulations to describe the thermophysical properties and CO₂ solubility of three prototypical DESs—Reline, Glyceline, and Ethaline. A perturbed hard-sphere equation of state (PHS EoS) was applied to predict density, compressibility, and viscosity up to 100 MPa, while a revised μ–μ framework was used to correlate CO₂ solubilities over the temperature range 303–343 K. The PHS EoS provided accurate predictions of thermophysical properties, and the revised μ–μ model reproduced CO₂ solubilities with deviations below 10%. MD simulations revealed stable hydrogen-bond networks that promote CO₂ retention through a combination of physical and chemical interactions. Overall, this integrated and data-efficient approach bridges molecular-scale structure and macroscopic thermodynamics, providing a rational pathway for designing environmentally benign solvents for carbon capture and green separation processes.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"108 ","pages":"Article 103456"},"PeriodicalIF":8.4,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148185411","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}

{"title":"Mechanistic insights into defect-mediated Cu-CrO2 interfaces for selective CO2 electroreduction to ethanol","authors":"Masoud Safari Yazd ,&nbsp;Mohammadreza Omidkhah ,&nbsp;Mahmoud Moharrami ,&nbsp;Farshid Sobhani Bazghaleh ,&nbsp;Hamidreza Rahmani ,&nbsp;Azam Akbari","doi":"10.1016/j.jcou.2026.103469","DOIUrl":"10.1016/j.jcou.2026.103469","url":null,"abstract":"<div><div>The selective CO₂ electroreduction (CO₂RR) into multi-carbon oxygenates represents a promising route toward carbon-neutral fuel synthesis but remains challenged by poor selectivity and high energy barriers on conventional Cu catalysts. Here, we design a defect-engineered Cu-CrO₂ (CCr) catalyst that exhibits a moderate metal-support interaction (MSI) capable of tuning the surface electronic structure, facilitating charge transfer, and stabilizing key oxygenated intermediates. Experimental and theoretical analyses reveal the cooperative role of CrO₂ in modulating Cu’s redox behavior and oxygen-vacancy chemistry. XPS and O 1 s spectra demonstrate a threefold increase in reduced Cu⁰&amp;Cu⁺ species and an O_V/O_L ratio of 2.3, while DRS shows band-gap narrowing from 2.9 to 2.2 eV, evidencing interfacial charge delocalization. DFT calculations confirm that the Cu-CrO₂ interface lowers interfacial interaction energy (E_int = 8002 cal mol⁻¹) relative to Cu-CuO₂ (8212 cal mol⁻¹) and promotes defect-assisted charge transfer across Cu-O-Cr linkages. Electrochemical measurements demonstrate a lower onset potential (-0.88 V vs Ag/AgCl) and smaller overpotential (0.64 V) for CCr, together with a C₂ Faradaic efficiency of 78.5% and an exceptional ethanol selectivity of 52.9%, compared to 27.4% for Cu. DFT-derived energy maps show that CrO₂ promotion deepens the thermodynamic stabilization (ΔE ≪ 0) of oxygen-retaining intermediates, thereby redirecting the reaction network from C-O bond cleavage (ethylene) to O-retaining hydrogenation (ethanol). Together, experiment and computation establish that defect-mediated moderate MSI, realized through Cu-CrO₂ interfacial coupling, optimizes charge transport, accelerates proton-coupled electron transfer (PCET), and selectively stabilizes oxygenates. This mechanistic insight provides a general design strategy for engineering oxide-promoted Cu catalysts that achieve efficient, durable, and ethanol-oriented CO₂ electroreduction.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"108 ","pages":"Article 103469"},"PeriodicalIF":8.4,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148185410","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}

{"title":"Heterogeneous cerium phosphate catalyst for the alternating copolymerization of carbon dioxide and epoxide","authors":"Masayoshi Honda,&nbsp;Hiroshi Sugimoto","doi":"10.1016/j.jcou.2026.103461","DOIUrl":"10.1016/j.jcou.2026.103461","url":null,"abstract":"<div><div>Rare-earth phosphate was found to be an effective catalyst for the alternating copolymerization of carbon dioxide (CO₂) and epoxide. This is a first report of completely inorganic heterogeneous catalyst for this reaction even in the absence of any solvent. Among various rare-earth phosphates, cerium phosphate showed the highest activity in the reaction of CO₂ and propylene oxide and gave poly(propylene carbonate) (PPC) with <em>M</em>_n = 9100 and <em>M</em>_w/<em>M</em>_n = 18. The productivity of this catalyst (5.6 g-PPC/(g-catalyst h)) is superior to the previous heterogeneous catalysts. From the time course, XRD and TEM measurement, needle-shaped CePO₄ can be the active phase. The reaction of CO₂ with 1,2-butylene oxide and cyclohexene oxide also gave the corresponding polycarbonates. Although the catalytic activity decreased in the reuse test, ICP analysis confirmed that the catalyst was removed from PPC by filtration under vacuum.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"108 ","pages":"Article 103461"},"PeriodicalIF":8.4,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148185412","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}

{"title":"CO2 capture and zeolite synthesis via hydrothermal treatment of inertized rock wool","authors":"Giulio Galamini ,&nbsp;Daniele Malferrari ,&nbsp;Alessandro Francesco Gualtieri","doi":"10.1016/j.jcou.2026.103434","DOIUrl":"10.1016/j.jcou.2026.103434","url":null,"abstract":"<div><div>The management of rock wool waste poses a growing challenge, with global production exceeding 2.5 million tons annually. Thermal inertization converts this fibrous hazardous waste into safe glassy products; however, high-value applications of the inerted product remain limited. This study is a preliminary investigation into a sustainable valorization pathway for thermally inertized mineral wool, focusing on CO₂ recovery during low-temperature (130 °C) alkaline hydrothermal synthesis. A comparative assessment was performed between synthesis in a CO₂-enriched atmosphere and ambient air. Results revealed CO₂ as a key parameter controlling crystallization pathways and zeolite yield, along with CO₂ fixation through carbonation. Synthesis in air predominantly yielded 11-Å tobermorite and transient carbonates (vaterite), with limited zeolite (analcime) formation. Conversely, the CO₂-enriched atmosphere suppressed tobermorite, favoring Na-P and phillipsite zeolites alongside stable calcite. The CO₂-based process proved superior across all key metrics. Zeolitic yields were nearly fourfold higher, resulting in a cation exchange capacity of 40.7 ± 1.6 compared to 12.3 ± 0.9 cmol(+)/kg in air. Furthermore, CO₂-synthesis demonstrated an 86% increase in carbon capture efficiency (4.49 wt% vs. 2.41 wt%), driven by stable mineral carbonation. Overall, the proposed hydrothermal pathway provides a promising laboratory-scale strategy for <em>End-of-Waste</em> upcycling while enabling CO₂ sequestration, demonstrating that a CO₂-rich environment enhances zeolite crystallization and increases CO₂ retention.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"107 ","pages":"Article 103434"},"PeriodicalIF":8.4,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147803337","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}

{"title":"Reverse water gas shift in microwave plasma for O2 removal and CO2 conversion enhancement","authors":"A. Hecimovic ,&nbsp;R. Antunes ,&nbsp;C. Kranig ,&nbsp;A. Meindl ,&nbsp;U. Fantz","doi":"10.1016/j.jcou.2026.103403","DOIUrl":"10.1016/j.jcou.2026.103403","url":null,"abstract":"<div><div>One of the major challenges of using plasmas for CO₂ conversion is the removal of oxygen in the plasma effluent. In this work an efficient removal of oxygen (<span><math><mrow><mo>&gt;</mo><mn>99</mn></mrow></math></span>% removal) from the product gas stream in a 2.45 GHz microwave plasma reactor at atmospheric pressure is reported. This is achieved by addition of H₂ gas enabling the reverse water gas shift reaction. The addition of H₂ takes place either immediately after the microwave resonator, or inside the resonator, affecting the plasma size and optical emission in the latter case. The performance is comparable for both positions of H₂ addition. Already 2 vol.% of H₂ admixture results in O₂ removal below 0.1 vol.% from the product gas stream, however at the cost of lower CO₂ conversion. An increase of H₂ flow leads to a rise of the CO₂ conversion in accordance to the thermodynamics of the reverse water gas shift reaction. CO₂ conversions of up to 65%, and CO energy yields of up to 0.27 kg<span><math><msub><mrow></mrow><mrow><mi>CO</mi></mrow></msub></math></span>kWh⁻¹ are achieved with less than 0.1 vol.% O₂ in the product gas. The [H₂]/[CO] ratio in the product gas lies in the range between 1.8–2.2 which makes it suitable for synthetic fuel processes such as Fischer–Tropsch. The performance comparison demonstrates that the presented method of O₂ removal by H₂ admixing to the microwave CO₂ plasma is a very efficient process compared to other O₂ removal methods yielding the highest energy yields.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"106 ","pages":"Article 103403"},"PeriodicalIF":8.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147600088","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}

{"title":"Temporary CO₂ storage: Influence of structural and engineering factors on subsurface performance","authors":"Farah Ali,&nbsp;Eric Mackay","doi":"10.1016/j.jcou.2026.103396","DOIUrl":"10.1016/j.jcou.2026.103396","url":null,"abstract":"<div><div>Temporary subsurface CO₂ storage represents a novel and transformative concept in carbon management, complementing traditional permanent sequestration by enabling controlled recovery and redeployment of injected CO₂. Unlike conventional storage, which prioritizes long-term isolation, temporary storage formalizes dynamic injection–production strategies that may be used to avoid emissions to the atmosphere in the short term, instead temporarily storing the CO₂ for subsequent use for CO₂-EOR, CO₂-EGR, and CO₂-Plume Geothermal systems, thereby enhancing operational flexibility and supporting circular carbon use. Building on operational insights from these established technologies, this study investigates how geological structure geometry governs the efficiency and suitability of temporary versus permanent storage. A series of 2D compositional reservoir simulations in CMG-GEM, conducted under uniform petrophysical and operational conditions, tested flat reservoirs, low-angle closures, and dipping structures. Results show that flat and low-angle closures achieve recovery factors of ∼80–84%, with predictable plume migration and effective containment, making them optimal for temporary storage. By contrast, dipping structures (2°–10°) promote gravitational trapping but reduce recoverability, with recovery declining to ∼19% at higher dip angles, aligning them with permanent storage objectives. The analysis further highlights how well placement, production capacity, and operational constraints such as water handling and bottom-hole pressure critically interact with structural geometry to shape storage performance. Well placement along the dip direction is a dominant control: top-of-structure positioning achieves 85–86% recovery across all dip angles, effectively neutralising the adverse impact of structural dip. Immediate production following injection cessation consistently outperforms delayed production, with a 10-year shut-in reducing recovery due to progressive residual and solubility trapping. Furthermore, lower production rates sustain extended CO₂ production plateaus suited to steady capture streams, whereas higher production rates maximise short-term deliverability but lead to earlier termination due to water-handling constraints. These findings confirm that geological structure, well placement, and production timing are first-order control on storage outcomes and that deliberate matching of geometry with storage strategy can maximize the value of CCS projects by integrating both temporary and permanent roles. Ultimately, temporary storage should be regarded as a strategic enabler of large-scale decarbonisation, bridging gaps in permanent capacity and supporting circular carbon use across the CCS value chain.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"106 ","pages":"Article 103396"},"PeriodicalIF":8.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147600008","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}

{"title":"A promising MEA solvent regeneration approach using MXene@MOF catalyst for energy efficient CO2 capture","authors":"Muhammad Waseem,&nbsp;Nayef Ghasem,&nbsp;Mohamed Al-Marzouqi","doi":"10.1016/j.jcou.2026.103410","DOIUrl":"10.1016/j.jcou.2026.103410","url":null,"abstract":"<div><div>Aqueous amine-based systems remain the most viable option for industrial carbon dioxide (CO₂) removal from flue gases, but their widespread application is hindered by the high energy demands of solvent regeneration. The MXene@MOF nanocomposite addresses this limitation through catalytic regeneration by introducing a high density of active sites both Lewis acid sites (LASs) and Brønsted acid sites (BASs) on the catalyst surface that work cooperatively to enhance catalytic efficiency. By merging the conductive, surface-rich characteristics of molybdenum based MXene (Mo₂CTₓ) with the versatile coordination chemistry of zeolitic imidazolate frameworks based MOF (ZIF67), the composite delivers accelerated CO₂ desorption. MXene@MOF accelerates CO₂ desorption by leveraging synergistic LASs and BASs that weaken carbamate bonds and facilitate efficient proton transfer, enabling faster CO₂ release at lower energy input. It achieved a 159% improvement in rate of CO₂ desorption and a 50% rise in desorbed CO₂ amount as compared to a process without catalyst, while also reducing regeneration energy consumption by 30%. The distinctly formed active sites on catalyst surface promote carbamate decomposition and proton transfer, making this hybrid material a promising advancement in CO₂ capture for amine regeneration, and proposing it as a potential candidate among next-generation separation technologies for mitigating both industrial and naturally occurring CO₂ emissions.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"106 ","pages":"Article 103410"},"PeriodicalIF":8.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147600009","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}

{"title":"Corrigendum to “CO2 utilization and sequestration potential in deep coal seams: A case study on Carboniferous coals from the Karaganda Basin, Kazakhstan” [J. CO2 Util. 101 (2025) 103204]","authors":"Majid Safaei-Farouji ,&nbsp;David Misch ,&nbsp;Reinhard F. Sachsenhofer ,&nbsp;Nikolaos Kostoglou ,&nbsp;Garri Gaus ,&nbsp;Thorsten Bauersachs ,&nbsp;Medet Junussov ,&nbsp;Milovan Fustic","doi":"10.1016/j.jcou.2026.103370","DOIUrl":"10.1016/j.jcou.2026.103370","url":null,"abstract":"","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"106 ","pages":"Article 103370"},"PeriodicalIF":8.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147649946","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}

{"title":"Recent advances in integrated CO2 capture and electrochemical conversion to value-added chemicals and fuels","authors":"Woo Jin Jeon,&nbsp;Mi Gyoung Lee","doi":"10.1016/j.jcou.2026.103405","DOIUrl":"10.1016/j.jcou.2026.103405","url":null,"abstract":"<div><div>Carbon dioxide (CO₂) capture and conversion technologies have emerged as promising approaches to mitigate rising atmospheric CO₂ levels while simultaneously enabling to production of value-added chemicals and fuels. In particular, integrated CO₂ capture and utilization (ICCU) has gained attention due to its ability to eliminate energy-intensive steps including the capture media regeneration and compression, thereby offering the improved energy efficiency over conventional independent CCU systems. This review begins by tracing the historical development of CCU and provides a comparative assessment of independent versus integrated CCU systems, with a particular focus on energy requirements and production costs. To elucidate the technological progress of ICCU, we discuss state-of-the-art studies based on four different CO₂ capture media. Finally, the critical perspectives on the current challenges and future directions in this field, emphasizing the need to achieve high CO₂ conversion efficiency, enhanced Faradaic efficiency, and reduced cell voltage for scalable industrial applications, are offered.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"106 ","pages":"Article 103405"},"PeriodicalIF":8.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147600046","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}

{"title":"Integrated design and optimization for a unified carbon capture and storage system using a machine-learning-assisted multi-objective optimization framework","authors":"Suin Choi ,&nbsp;Minkyung Chae ,&nbsp;Soeun Yoon ,&nbsp;Tea-Woo Kim ,&nbsp;Suryeom Jo ,&nbsp;Byungin Ian Choi ,&nbsp;Honggeun Jo ,&nbsp;Baehyun Min","doi":"10.1016/j.jcou.2026.103402","DOIUrl":"10.1016/j.jcou.2026.103402","url":null,"abstract":"<div><div>Efficient deployment of carbon capture and storage (CCS) systems requires the integrated design of surface facilities and subsurface storage reservoirs. Herein, we propose a unified CCS system design framework in which dynamic nodal analysis, multi-objective optimization, and machine-learning are combined to support efficient and scalable decision-making. Optimization is focused on four key design variables: the CO₂ discharge pressure at the hub terminal, the inner diameters of the pipeline and injection tubing, and the injection temperature, with storage capacity, injection safety, and economic feasibility as the performance objectives. Dynamic nodal analysis couples surface and subsurface flow physics—specifically, compressible pipe flow dynamics for surface transport and Darcy-based porous media flow for subsurface storage—to simulate transient system behavior. A multi-objective particle swarm optimization algorithm linked to a full-physics facility-reservoir model was used to derive an initial Pareto-optimal front covering approximately 3.8% of the feasible design space. This was refined and expanded by using machine-learning-based proxies, including neural network, random forest, and boosting techniques trained on the optimization results. The framework was applied to a potential CCS assessment project in the Republic of Korea, an onshore CO₂ terminal, a 175-km subsea pipeline, and a 1-km vertical injection well. The machine-learning models demonstrated high predictive performance (<span><math><msup><mrow><mi>R</mi></mrow><mrow><mn>2</mn></mrow></msup></math></span> &gt; 0.96; Mean Absolute Percent Error ≦ 5%) and significantly reduced computational time compared to a full-physics simulation. This hybrid framework offers a practical and accurate approach for early-stage CCS system design and lays the foundation for real-world deployment under complex multi-objective constraints.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"106 ","pages":"Article 103402"},"PeriodicalIF":8.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147600087","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}