Carbon Capture Science & Technology最新文献

{"title":"Highly efficient CO2 electroreduction to formate using Bismuth nanodots within ZIF-8 scaffold","authors":"Muhammad Usman ,&nbsp;Munzir H. Suliman ,&nbsp;Maryam Abdinejad ,&nbsp;Jesse Kok ,&nbsp;Hussain Al Naji ,&nbsp;Aasif Helal ,&nbsp;Zain H. Yamani ,&nbsp;Gabriele Centi","doi":"10.1016/j.ccst.2025.100450","DOIUrl":"10.1016/j.ccst.2025.100450","url":null,"abstract":"<div><div>Zeolitic imidazolate frameworks (ZIFs) based electrocatalysts for CO₂ reduction offer unique possibilities for developing advanced materials for this reaction due to their ordered nanoporosity and pore environments, tunable characteristics and high affinity for CO₂. Still, they were not investigated sufficiently. In this study, we developed a Bismuth nanodots embedded Zeolitic Imidazolate Framework-8 (BND-ZIF-8) electrocatalyst via a one-pot synthesis method for the electrochemical CO₂ reduction reaction (eCO₂RR). Comprehensive spectroscopic and electrochemical characterization confirmed the successful integration of Bismuth into the ZIF-8 matrix. The electrocatalytic performance of the BND-ZIF-8 was assessed in multiple reactor typologies such as H-cell, flow cell, and membrane electrode assembly (MEA) setups. Remarkable differences in the performances in the three cell configurations are evidenced. Notably, the MEA configuration exhibited a marked enhancement in formate selectivity, achieving a Faradic efficiency (FE) of up to 91 % at a current density of −150 mA cm^‒². This work underscores the potential of Bi-ZIF-8 in advancing eCO₂RR while remarking on the crucial importance of the appropriate type of electrocatalytic experiments in assessing the material performance.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100450"},"PeriodicalIF":0.0,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical mineral carbonation: A sustainable approach to CO₂ capture and utilization","authors":"Junhyeok Choi ,&nbsp;Seongeom Jeong ,&nbsp;Semi Jang ,&nbsp;Chanhyuk Park ,&nbsp;Sanghyun Jeong ,&nbsp;Sungju IM","doi":"10.1016/j.ccst.2025.100444","DOIUrl":"10.1016/j.ccst.2025.100444","url":null,"abstract":"<div><div>Mineral carbonation for CO₂ capture and utilization often requires high temperatures and pressures, necessitating alternative approaches. Electrochemical carbon capture has emerged as a promising technology due to its high efficiency and selectivity. However, its high capital expenditure (CAPEX) remains a challenge. In this study, carbon cloth (CC) electrodes were evaluated for their potential to enhance carbon capture, mineralization, and hydrogen production. The stability of conductive CC was confirmed as a substitute electrode under strong acidic and basic conditions, maintaining consistent contact angle and surface resistance. CC-based electrodes facilitated carbonate formation by inducing pH shifts through applied currents, achieving mineralization and hydrogen production efficiencies comparable to conventional methods. Furthermore, CC-based electrochemical systems demonstrated reduced environmental impacts, including lower global warming potential, toxicity, and eutrophication. These finding highlight the potential of CC-based electrodes as a cost-effective and sustainable alternative for electrochemical carbon capture, contributing to climate change mitigation and sustainable development.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100444"},"PeriodicalIF":0.0,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"SAGE-Amine: Generative Amine design with multi-property optimization for efficient CO2 capture","authors":"Hocheol Lim ,&nbsp;Hyein Cho ,&nbsp;Jeonghoon Kim ,&nbsp;Kyoung Tai No","doi":"10.1016/j.ccst.2025.100447","DOIUrl":"10.1016/j.ccst.2025.100447","url":null,"abstract":"<div><div>Efficient CO₂ capture is vital for mitigating climate change, with amine-based solvents being widely used due to their strong reactivity with CO₂. However, optimizing key properties such as basicity, viscosity, and absorption capacity remains challenging, as traditional methods rely on labor-intensive experimentation and predefined chemical databases, limiting the exploration of novel solutions. Here, SAGE-Amine was introduced, a generative modeling approach that integrates Scoring-Assisted Generative Exploration (SAGE) with quantitative structure-property relationship models to design new amines tailored for CO₂ capture. Unlike conventional virtual screening restricted to existing compounds, SAGE-Amine generates novel amines by leveraging autoregressive natural language processing models trained on amine datasets. SAGE-Amine identified known amines for CO₂ capture from scratch and successfully performed single-property optimization, increasing basicity or reducing viscosity or vapor pressure. Furthermore, it facilitated multi-property optimization, simultaneously achieving high basicity with low viscosity and vapor pressure. The 10 top-ranked amines were suggested using SAGE-Amine and their thermodynamic properties were further assessed using COSMO-RS simulations, confirming their potential for CO₂ capture. These results highlight the potential of generative modeling in accelerating the discovery of amine solvents and expanding the possibilities for industrial CO₂ capture applications.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100447"},"PeriodicalIF":0.0,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144190497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Techno-economic assessment of high temperature heat pumps integrated in MEA-based post-combustion CO2 capture for cement plant","authors":"Riccardo Cremona ,&nbsp;Edoardo De Lena ,&nbsp;Antonio Conversano ,&nbsp;Maurizio Spinelli ,&nbsp;Matteo C. Romano ,&nbsp;Manuele Gatti","doi":"10.1016/j.ccst.2025.100446","DOIUrl":"10.1016/j.ccst.2025.100446","url":null,"abstract":"&lt;div&gt;&lt;div&gt;This study presents a techno-economic assessment of solvent-based (MEA) post-combustion CO₂ capture integration within cement production process, exploring both conventional natural gas (NG) boiler configurations and innovative high-temperature heat pump (HTHP) solutions for thermal energy supply. Heat Pumps exploit the low-temperature waste heat from the cement plant and the capture unit as thermal source in the evaporator. The following options are assessed, either individually or in combination, as alternatives to the boiler for providing the steam required for solvent regeneration: (i) a lean vapor compression (LVC) system integrated within the capture process itself; (ii) a closed Reverse Rankine heat pump; (ii) a cascade system combining a bottoming closed-loop reverse Rankine cycle heat pump with a topping mechanical vapor recompression (MVR) system. Process simulations and equipment sizing are performed with a validated rate-based model of the absorption process in Aspen Plus and the economic analysis is carried out with a referenced bottom-up methodology. The cost-effectiveness of each technology is evaluated in terms of cost of CO&lt;sub&gt;2&lt;/sub&gt; avoidance (CCA), clinker cost increment (∆CC) and cost of CO&lt;sub&gt;2&lt;/sub&gt; capture (COC). For the conventional steam supply with NG boiler, two positions for the capture plant are assessed: tail end (Case #1 - Tail end) and integrated upstream the raw mill (Case #2 - Integrated). The best configuration with steam generation via NG boiler is case #2 with LVC at a flash pressure of 0.8 bar, resulting in an incremental cost of clinker of 62.1 €/t&lt;sub&gt;clk&lt;/sub&gt; and a CCA of 149.6 €/t&lt;sub&gt;CO2&lt;/sub&gt;. The integration of HTHPs offers significant benefits in terms of energy efficiency and cost competitiveness. The comparative evaluation of multiple HTHP configurations, including reverse Rankine cycle heat pumps and mechanical vapor recompression (MVR) systems, shows that the most viable solution is an MVR-based HTHP combined with LVC. Fuel consumption for solvent regeneration of around 100 MW&lt;sub&gt;th&lt;/sub&gt; is replaced by an additional electricity demand of 26.9 MW&lt;sub&gt;el&lt;/sub&gt; in the best case. The CO&lt;sub&gt;2&lt;/sub&gt; avoidance rate of the overall cement plant is reduced from almost 91 % to 89 % due to the increased Scope 2 emissions, with the assumed electricity carbon intensity of 100 kg&lt;sub&gt;CO2&lt;/sub&gt;/MWh. With baseline NG and electricity prices of 40 €/MWh and 100 €/MWh respectively, the cost of CO&lt;sub&gt;2&lt;/sub&gt; avoidance and incremental clinker cost are 125.9 €/t&lt;sub&gt;CO2&lt;/sub&gt; and 42.1 €/t&lt;sub&gt;clk&lt;/sub&gt;, respectively. These findings provide insights into the techno-economic trade-offs of integrating carbon capture in cement plants and underscores the potential role of HTHPs in helping the decarbonization of this sector. Sensitivity analyses on key parameters affecting energy balance and costs are included to highlight how the competitiveness and costs of the different solutions vary under different assu","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100446"},"PeriodicalIF":0.0,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the coupling effect of micropore confinement and functional sites of carbon-based adsorbents on flue gas CO2 adsorption: A machine learning study based on multi-scale simulations","authors":"Jiayu Zuo ,&nbsp;Fei Sun ,&nbsp;Zhibin Qu ,&nbsp;Chaowei Yang ,&nbsp;Liang Xie ,&nbsp;Yi Zhang ,&nbsp;Xuhan Li ,&nbsp;Junfeng Li","doi":"10.1016/j.ccst.2025.100445","DOIUrl":"10.1016/j.ccst.2025.100445","url":null,"abstract":"<div><div>Carbon material is a type of promising adsorbent for flue gas CO₂ capture, where micropore and dopants are key functional units and intertwined with each other. Due to the difficulty in detaching micropore and functional sites, their effects on CO₂ adsorption are still in debate. Herein, we unravel coupling effects of micropore confinement and functional sites combining machine learning (ML) and multi-scale simulations. High-throughput Grand Canonical Monte Carlo (GCMC) simulations in combination with density functional theory (DFT) calculations clarify that CO₂ adsorption mechanism under pore-dopant coupling is dependant on both micropore confinement environment and interaction type of CO₂ with functional sites. For basic dopants owning chemical interactions with CO₂, adsorption potential driven by Lewis acid-base interactions dominate CO₂ adsorption behavior and the optimal pore size is distributed at 7 Å. For dopants that predominantly adsorb CO₂ by physisorption interaction, steric effect becomes a key factor influencing CO₂ adsorption behavior, which will result in a shift in optimal pore size for CO₂ adsorption from 7 to 8-10 Å and alter adsorption selectivity. In this case, new descriptor free volume (<em>V_f</em>) was identified to describe coupling effects of micropore and functional sites. Guided by theoretical findings, we prepare carbon adsorbent with both heteroatom dopants and enlarged pore size, which exhibits leading-level CO₂ adsorption capacity of 4 mmol g⁻¹ at ambient condition, 130% higher than that without pore size optimization. This work demonstrates crucial role of micropore-dopant coupling mode on CO₂ adsorption, and provides new direction of developing high-performance carbon adsorbent beyond traditional standalone pore or doping engineering.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100445"},"PeriodicalIF":0.0,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144178441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Perspective on ionic liquids as multifunctional agents in enhanced oil recovery and CO2 sequestration in carbonate formations","authors":"Abdul Haris Salam ,&nbsp;Masooma Nazar ,&nbsp;Muhammad Shahzad Kamal ,&nbsp;Ahmad Mahboob ,&nbsp;Syed Muhammad Shakil Hussain ,&nbsp;Murtada Saleh Aljawad ,&nbsp;Arshad Raza ,&nbsp;Shirish Patil","doi":"10.1016/j.ccst.2025.100443","DOIUrl":"10.1016/j.ccst.2025.100443","url":null,"abstract":"<div><div>Enhanced Oil Recovery (EOR) combined with carbon dioxide (CO₂) sequestration offers a promising solution to address the dual challenge of meeting global energy demands while reducing greenhouse gas emissions that drive global warming. Carbonate reservoirs with a large portion of the world’s remaining oil present challenges, including complex pore structure, low permeability, and oil-wet characters. Furthermore, operational challenges such as intricate phase behaviour, water–rock–gas interactions, reservoir integrity risks, high salinity, and the presence of impurities like H₂S, further complicate their exploitation. Recently, ionic liquids (ILs) have emerged as potential solutions to such challenges. ILs have unique properties, including tunable nature, thermal stability, and near-zero vapor pressure. ILs have EOR capacity by modifying wettability, reducing interfacial tension, and improving CO₂ adsorption and dissolution under harsh reservoir conditions. This paper identifies the challenges associated with carbonate reservoirs and suggests the possible role of ILs in addressing these issues. The major objectives of this work are to demonstrate the potential of ILs in the sustainable implementation of EOR and the development of an efficient carbon management approach.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"15 ","pages":"Article 100443"},"PeriodicalIF":0.0,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144134968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimisation of reaction temperature during carboxylation of single and mixed model bio-derived phenolics as effective route for CO2 utilisation","authors":"Omar Mohammad ,&nbsp;Jude A. Onwudili ,&nbsp;Qingchun Yuan ,&nbsp;Robert Evans","doi":"10.1016/j.ccst.2025.100442","DOIUrl":"10.1016/j.ccst.2025.100442","url":null,"abstract":"<div><div>This study investigates the temperature-dependent carboxylation of single and mixed biomass-derived phenolic sodium salts with CO₂ via the Kolbe–Schmitt reaction. Reactions were performed at <em>T</em> = 175–225 °C, <em>t</em> = 2 h, and pCO₂ = 30 bar. Five model phenolics; phenol, 2-cresol, guaiacol, catechol, and syringol were examined individually and in mixtures. Characterisation via high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) analysis showed that 2-hydroxybenzoic and dicarboxylic acids were favoured at higher temperatures, while 4-hydroxybenzoic acids prevailed at 175 °C. In mixtures, dicarboxylic acid yields increased significantly, reaching 41.9 % for 2,3-dihydroxyterephthalic acid and 20.5 % for 2-hydroxyisophthalic acid. These dicarboxylic acids possess up to 10-fold higher market value than their monocarboxylic counterparts. Syringic acid synthesis via Kolbe–Schmitt is reported here for the first time, with yields rising to 33.0 % in mixtures versus &lt;2.0 % molar yield when reacted individually. The study also presents the first detailed mechanistic explanation of Brønsted acid–base interactions and temperature-driven selectivity in phenolic salt carboxylation. While previous research suggested that producing phenolics solely from lignin was not viable, this work demonstrates that CO₂ incorporation not only enhances product value but also narrows product distribution and enables broader industrial applicability - ultimately opening new opportunities for potential large-scale, economically viable CO₂ utilisation.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"15 ","pages":"Article 100442"},"PeriodicalIF":0.0,"publicationDate":"2025-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In-situ synthesis of Fe-MOR molecular sieve catalyst for energy-efficient CO2 capture","authors":"Shijian Lu ,&nbsp;Yanyang Xue ,&nbsp;Fanpeng Meng ,&nbsp;Miaomiao Liu ,&nbsp;Ting Hou ,&nbsp;Yimeng Luo ,&nbsp;Ling Liu ,&nbsp;Yongsheng An ,&nbsp;Guojun Kang ,&nbsp;Xingdian Wu","doi":"10.1016/j.ccst.2025.100433","DOIUrl":"10.1016/j.ccst.2025.100433","url":null,"abstract":"<div><div>Techniques for capturing CO₂ based on traditional amine-based approaches face technical barriers of kinetic limitations and high energy requirements for solvent regeneration. Metal-molecular sieve composites are promising solid acid catalysts (SACs). In this paper, we report a one-step synthesis and preparation of Fe-MOR catalysts by introducing iron into the framework of mullite (MOR) zeolite molecular sieves via a simple and facile in-situ synthesis method, overcoming the uncontrolled metal distribution and instability generated by the production of such SAC catalyst via conventional methods such as loading or ion exchange and further enhancing their pore structure regulation and acidic structure. The catalysts were also applied to the catalytic desorption of CO₂ from a 30wt % MEA aqueous solution, and the CO₂ desorption rate and desorption capacity were increased by 46 % and 5 %, respectively, and the relative regeneration heat load was reduced by 17.4 % compared with the non-catalytic system when the molar ratio of Fe to Si was 2 %. In addition, the mechanism of Fe-MOR to improve the CO₂ capture performance was also discussed, and Fe doping helped increase both the activity of the acidic sites and the number of acidic sites.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"15 ","pages":"Article 100433"},"PeriodicalIF":0.0,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advances in CO2 capture and separation materials: Emerging trends, challenges, and prospects for sustainable applications","authors":"Hailing Ma ,&nbsp;Hongxin Fu ,&nbsp;Yao Tong ,&nbsp;Ahmad Umar ,&nbsp;Yew Mun Hung ,&nbsp;Xin Wang","doi":"10.1016/j.ccst.2025.100441","DOIUrl":"10.1016/j.ccst.2025.100441","url":null,"abstract":"<div><div>Carbon dioxide (CO₂) remains a critical driver of climate change, necessitating the development of advanced carbon capture (CC) technologies to mitigate its atmospheric accumulation. This review provides a detailed evaluation of both conventional and emerging CC methods, highlighting the evolution from traditional physical/chemical adsorption and absorption techniques to innovative strategies based on cutting–edge materials science. In particular, the article examines the synthesis, functionalization, and performance of various porous adsorbents—including activated carbon, zeolite molecular sieves, metal–organic frameworks (MOFs), and covalent organic frameworks (COFs)—as well as hybrid composites that integrate the strengths of multiple materials. Advances in material design, such as pore modulation, surface functionalization, and the introduction of defect sites, have led to significant improvements in CO₂ adsorption capacity, selectivity, and regeneration efficiency, while addressing challenges such as high energy consumption, moisture sensitivity, and production cost. Moreover, the integration of CC materials with catalytic processes for CO₂ conversion into valuable chemicals is discussed as a promising route toward establishing a circular carbon economy. By outlining recent innovations and identifying key research directions—including the development of cost–effective synthesis methods and robust hybrid systems—this review aims to provide a comprehensive perspective on the state–of–the–art in CC materials and their potential role in achieving global climate mitigation goals.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"15 ","pages":"Article 100441"},"PeriodicalIF":0.0,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine learning based reduced-order models to predict spatiotemporal dynamics of soil carbon and biomass yield of different bioenergy crops","authors":"Sagar Gautam ,&nbsp;Umakant Mishra ,&nbsp;Corinne D. Scown","doi":"10.1016/j.ccst.2025.100440","DOIUrl":"10.1016/j.ccst.2025.100440","url":null,"abstract":"<div><div>Agroecosystem models are commonly used to predict the effects of management practices and environmental changes on biomass yields, and soil organic carbon (SOC) dynamics under different bioenergy crops. However, the computational and data requirements of these models limit their scalability across multiple scenarios and timescales, particularly when trying to capture the range of outcomes under different scenarios. Machine learning (ML) offers a way to streamline these complex processes, enabling efficient modeling with substantially less computational resources. In this study, we combined ML model with an agroecosystem model Daily Century (DAYCENT) to project baseline (2009–2018) and future (2021–2100) biomass yields and SOC changes for three bioenergy crops:Miscanthus, sorghum, and switchgrassacross U.S. agricultural lands. These projections were made under the Shared Socio-economic Pathway 8.5 (SSP5 8.5), using data from the coupled model intercomparison project phase six models. The ML-based reduced order model, trained on field observations and DAYCENT outputs, accurately predicted baseline biomass yields with <em>R²</em> values ranging from 0.96 to 0.98, and SOC changes with <em>R²</em> values between 0.93 and 0.98 across the three bioenergy crops. Under a SSP5 8.5 scenario, Miscanthus and sorghum exhibited lower sensitivity to precipitation and temperature impacts in terms of biomass yield and SOC changes compared to switchgrass. Sorghum and Miscanthus are projected to see an increase in economically viable land area across the continental U.S., with gains of 29 % and 10 %, respectively. The most significant increases for sorghum are expected at higher latitudes. In contrast, economically viable land area is projected to decline by 11 % by 2100 compared to baseline scenarios for switchgrass. Our findings demonstrate the potential of ML-based reduced order models to provide accurate predictions offering opportunity to develop user-friendly agroecosystem analysis tools in future.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"15 ","pages":"Article 100440"},"PeriodicalIF":0.0,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144131018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}