Jinhong Jeong , Mujin Cheon , Banseok Oh , Aqil Jamal , Jay H. Lee , Dong-Yeun Koh
{"title":"Accelerating process design for direct air capture: Bayesian optimization of temperature-vacuum swing adsorption with fiber sorbents","authors":"Jinhong Jeong , Mujin Cheon , Banseok Oh , Aqil Jamal , Jay H. Lee , Dong-Yeun Koh","doi":"10.1016/j.ccst.2025.100526","DOIUrl":"10.1016/j.ccst.2025.100526","url":null,"abstract":"<div><div>Solid sorbent-based direct air capture (DAC) is a key carbon dioxide removal strategy, yet its process optimization remains challenging due to the need to simultaneously address multiple, high-dimensional objectives. These include maximizing CO<sub>2</sub> capture capacity, minimizing operating costs, and reducing overall carbon emissions across the system's life cycle. In this study, we experimentally present a refined approach for optimizing a dual-bed temperature and vacuum swing adsorption (TVSA) cycle using a fiber sorbent based on the metal-organic framework NbOFFIVE-1-Ni, aiming to understand and reconcile the competing performance objectives. To achieve this, a structured exploration of the critical operational variables was conducted, encompassing adsorption flow rate, adsorption time, desorption temperature, and desorption time. Recognizing the complexity and interrelated nature of the performance metrics, we adopted Bayesian Optimization, a powerful data-driven method, to iteratively identify operating conditions that maximize CO<sub>2</sub> capture efficiency while minimizing operational expenditure (OPEX). Extensive cycle-level testing and performance assessment produced a DAC performance profile characterized by distinct Pareto fronts, which delineate the inherent trade-offs between energy consumption and capture efficiency. These insights enabled the determination of optimal operating conditions. Notably, the lab-scale dual bed system achieved a capture capacity of 21.76 mol CO<sub>2</sub> per year (0.52 g-CO<sub>2</sub>/g-sorbent per day), supporting its feasibility for large-scale, cost-effective, and environmentally responsible DAC deployment.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100526"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262793","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}
Néstor D. Montiel-Bohórquez, Manuele Gatti, Matteo C. Romano
{"title":"Flexible calcium looping for CO2 capture in electric Arc Furnace steelmaking: A techno-economic analysis","authors":"Néstor D. Montiel-Bohórquez, Manuele Gatti, Matteo C. Romano","doi":"10.1016/j.ccst.2025.100504","DOIUrl":"10.1016/j.ccst.2025.100504","url":null,"abstract":"<div><div>This study presents a techno-economic analysis of four configurations of the Calcium Looping (CaL) technology, tailored to enhance system flexibility for capturing CO<sub>2</sub> from the fluctuating flue gases generated by a scrap-based Electric Arc Furnace with a capacity of 112 t<sub>steel</sub>/h. The configurations differ based on the solids circulation strategy between reactors (constant or variable) and the presence of one or two intermediate solids storage vessels. Configurations incorporating intermediate solids storage demonstrated operational advantages, including enhanced process stability and downsized calciner island components. Moreover, the plant configuration with two intermediate solids storages led to the lowest specific fuel consumption of 5.85 MJ per kg<sub>CO2</sub> captured.</div><div>Under the assumptions considered, the CaL system achieved a CO<sub>2</sub> capture rate of 91 % from the EAF off-gas. Moreover, using residual forestry biomass as fuel in the calciner enabled to achieve negative emissions with net CO<sub>2</sub> removal rates of 13-26 t<sub>CO2</sub>/h, corresponding to 100-200 kg<sub>CO2</sub> removed per t<sub>steel</sub> produced.</div><div>From an economic standpoint, increment in steel cost ranged from 26 to 36 €/t<sub>steel</sub> (assuming a carbon tax of 100 €/t<sub>CO2</sub>), with costs of CO<sub>2</sub> avoided of 202-255 €/t<sub>CO2</sub>.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100504"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096337","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":"Accelerating CO2 sequestration in cementitious materials using carbonic anhydrase: Experimental insights into performance and mechanisms","authors":"Xiulin Chen, Zhidong Zhang, Ueli Angst","doi":"10.1016/j.ccst.2025.100511","DOIUrl":"10.1016/j.ccst.2025.100511","url":null,"abstract":"<div><div>Increasing atmospheric CO<sub>2</sub> levels require innovative mitigation strategies. Cementitious materials offer significant potential for CO<sub>2</sub> sequestration through carbonation. This study investigates the application of carbonic anhydrase (CA), an enzyme that catalyzes CO<sub>2</sub> hydration, to accelerate CO<sub>2</sub> sequestration in cementitious materials. We applied pH monitoring and p-NPA assay to evaluate CA activity under artificial cementitious environments. The results showed that CA activity significantly decreased at pH 13 but remained stable at pH below 12, suggesting potential applications of CA in lower-pH systems, such as demolished concrete, mineral waste, or cementitious materials with a low clinker content. Mixing CA directly into fresh cement pastes showed more carbonates formed and a higher reduction in pore volume than the control groups, demonstrating that CA accelerated early-stage CO<sub>2</sub> sequestration. When spraying the CA solution on crushed cement paste, we observed a dense layer of calcite on the surfaces of cement paste particles, meaning that early-stage carbonation resulted in a higher carbonate content than the control samples, particularly for smaller particles with larger surface areas. However, the carbonation efficiency decreased at the later stage, which is likely due to CA deactivation or surface densification limiting ions diffusion, reducing further carbonation enhancement at later stages. This study highlights the potential of CA to accelerate CO<sub>2</sub> sequestration in cementitious materials while emphasizing the challenges of high pH and complex ionic composition for CA performance. The findings suggest the need for stabilizing the enzyme’s activity or applying CA to low-clinker cementitious materials, and partially carbonated materials, such as recycled concrete aggregates, for CO<sub>2</sub> sequestration.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100511"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027389","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}
Naveed Akhtar , Habib Ullah , Amir Zada , Shohreh Azizi , Muhammad Ateeq , Javed Ali Khan , Muhammad Ishaq Ali Shah , Mohammad Naeem , Muhammad Shakeel Khan , Zakir Ullah , Hyun You Kim
{"title":"CO2 reduction reimagined: From light-driven to electrocatalytic pathways with computational insight towards enhanced product selectivity","authors":"Naveed Akhtar , Habib Ullah , Amir Zada , Shohreh Azizi , Muhammad Ateeq , Javed Ali Khan , Muhammad Ishaq Ali Shah , Mohammad Naeem , Muhammad Shakeel Khan , Zakir Ullah , Hyun You Kim","doi":"10.1016/j.ccst.2025.100536","DOIUrl":"10.1016/j.ccst.2025.100536","url":null,"abstract":"<div><div>Transforming carbon dioxide (CO<sub>2</sub>) into valuable fuels and chemicals through photocatalysis and electrocatalysis presents a sustainable approach to reducing carbon emissions and tackling global energy challenges. However, the major hurdles lie in the low activity and selectivity of these processes. This review critically analyzes the fundamental mechanisms and reaction pathways for CO<sub>2</sub> reduction, with a focus on photocatalytic and electrocatalytic approaches. Key factors influencing product selectivities, including the band structure of photocatalysts, light-excitation properties, charge carrier separation, and surface interactions, are thoroughly examined. We also emphasize recent advancements such as bandgap engineering, doping, nanostructure tailoring, and the use of innovative catalysts to enhance selectivity and efficiency. Unlike previous reviews that focus on either photocatalysis or electrocatalysis in isolation, this review offers a unified perspective on both system, whether highlighting comparative trends, mechanistic insights, and future research directions. This integrated and comprehensive analysis fills a critical gap in the current literature and expected to guide the development of next-generation catalytic systems for efficient and selective CO<sub>2</sub> conversion.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100536"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516638","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}
Esmaeel Eftekharian , Ali Kiani , Vassili Kitsios , Ashok K. Luhar , Paul Feron , Aaron W. Thornton , Kathryn M. Emmerson
{"title":"Prediction of CO2 capture performance of a direct air capture unit under representative atmospheric flow conditions using large eddy simulation","authors":"Esmaeel Eftekharian , Ali Kiani , Vassili Kitsios , Ashok K. Luhar , Paul Feron , Aaron W. Thornton , Kathryn M. Emmerson","doi":"10.1016/j.ccst.2025.100545","DOIUrl":"10.1016/j.ccst.2025.100545","url":null,"abstract":"<div><div>The removal of carbon dioxide (CO<sub>2</sub>) from the atmosphere using direct air capture (DAC) is crucial in achieving the net-zero emissions target and combating global warming. We develop a new numerical model that predicts the performance of DAC units under representative atmospheric flow conditions which captures the interaction between these units and the instantaneous flow fields. A new boundary condition for the CO<sub>2</sub> concentration associated with the CO<sub>2</sub>-depleted exit plume was developed. This boundary condition dynamically calculates the time-varying fraction of CO<sub>2</sub> removed from the air (capture rate) and the total mass of CO<sub>2</sub> captured by the system per unit time (capture amount). We have also conducted experiments in a lab-scale DAC unit at different inlet air velocities. The experiment showed that both the CO<sub>2</sub> capture rate and the capture amount depend on the unit’s inlet airflow velocity. Specifically, the CO<sub>2</sub> capture rate decreases with an increase in unit inlet airflow velocity, while the CO<sub>2</sub> capture amount increases. These data were used to validate our computational fluid dynamics analysis using a large eddy simulation (LES) approach. After validating the new boundary condition model with experimental data in still air, the LES simulations were extended to include the interaction of atmospheric boundary layer wind with individual DAC units. The CO<sub>2</sub> capture rate and capture amount are almost constant in still air, whilst they strongly fluctuate for wind speeds above 7 m/s. The amplitude of these fluctuations grows with increasing wind velocity. The LES results showed that when the wind velocity increased, both the CO<sub>2</sub> capture rate and the overall mean CO<sub>2</sub> capture amount of an individual DAC unit were reduced. In strong winds of 9 m/s, the total CO<sub>2</sub> mass removal was reduced by up to 7.5 % ± 6.5 % over one year. The new boundary condition model can more accurately predict the overall CO<sub>2</sub> capture characteristics of large-scale DAC plants in complex real environmental conditions.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100545"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614610","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}
Zhaoxi Dong , Yurong Liu , Feihu Ma , Honghai Ma , Xin Peng , Weimin Zhong , Feng Qian
{"title":"Integrating diabatic CAES with post-combustion capture to mitigate combustion emissions: case study and regional sensitivity","authors":"Zhaoxi Dong , Yurong Liu , Feihu Ma , Honghai Ma , Xin Peng , Weimin Zhong , Feng Qian","doi":"10.1016/j.ccst.2025.100543","DOIUrl":"10.1016/j.ccst.2025.100543","url":null,"abstract":"<div><div>Energy storage technology is essential for addressing the intermittency of renewable energy, particularly wind power. Diabatic compressed air energy storage (DCAES) technology is relatively mature, however, it suffers from the drawback of greenhouse gas (GHG) emissions caused by fuel combustion. In this study, an integrated system that combines post-combustion carbon capture (PCC) with DCAES is proposed to decrease GHG emissions without purchasing outsource steam. A case study over a typical 24-hour period shows that the integrated system can ensure the stability of the power output from wind power to the grid during peak electricity usage period. The integration of PCC reduces the power output of DCAES during the discharge phase by 23.6 %, while the levelized cost of electricity rises from 55.63 $/MWh to 88.77 $/MWh. Otherwise, PCC subsystem contributes 12.7 % of the whole exergy destruction of the integrated system. These indicates that the cost of the PCC integration is acceptable from the thermodynamic and economic standing. Whereas, when wind power is used as the charging source, PCC integration can reduce life cycle GHG emissions by 66.9 % of the output electricity and the effect of GHG emission reduction is affected by region. This work provides valuable insights into achieving low-carbon operation of DCAES systems.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100543"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614608","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":"Attrition characteristics of Ca-based dual functional material in a micro fluidized-bed reactor for integrated CO2 capture and conversion","authors":"Lei Liu, Hao Wang, Hanzi Liu, Zhiqiang Sun","doi":"10.1016/j.ccst.2025.100531","DOIUrl":"10.1016/j.ccst.2025.100531","url":null,"abstract":"<div><div>Integrated carbon capture and utilization coupled with reverse water-gas shift reaction is a promising technology for converting captured CO<sub>2</sub> into value-added CO or syngas using a Ca-based dual functional material (DFM). However, existing Ca-based DMFs are primarily powder-based formulations, which poses challenges for their direct application in a real fluidized-bed reactor, and the attrition characteristics of DFM particles remain largely unexplored. Herein, a micro-fluidized-bed thermogravimetric analyzer coupled with a mass spectrometer (MFB-TGA-MS) was employed to investigate the attrition properties of three types of well-prepared Ca-based DFM particles under fluidizing conditions. It was found that Al-modified Ca-based DFM retained ∼6 mmol g<sup>-1</sup> CO<sub>2</sub> after 100 cycles, but high forming pressure reduced this to ∼4 mmol g<sup>-1</sup> while low pressure caused 2.24 % h<sup>-1</sup> physical loss in the first 10 cycles. Physical loss peaked within 20 cycles, while chemical loss occurred mainly before cycle 40 for the DFM without Al and shifted to cycles 40–80 with Al. SEM and TEM confirmed that the Al skeleton is beneficial for reducing the chemical loss via suppressing the sintering of Ni and CaO. However, high pellet-forming pressure would lessen the pore structure, hindering the volume change during the capture and hydrogenation processes. Finally, the integrated carbon capture and utilization - reverse water gas shift (ICCU-RWGS) performance was analyzed over a wide range of CO<sub>2</sub> and H<sub>2</sub> partial pressures. Decoupling of DFM particle attrition into chemical loss and physical loss provides insight to develop a highly efficient DFM particle.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100531"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358424","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}
Pengjun Cui , Godknows Dziva , Tingting Song , Sandeep Dhital , Shengping Wang , Liang Zeng
{"title":"Dual moving bed calcium looping process: Optimizing CO2 capture efficiency and energy utilization","authors":"Pengjun Cui , Godknows Dziva , Tingting Song , Sandeep Dhital , Shengping Wang , Liang Zeng","doi":"10.1016/j.ccst.2025.100535","DOIUrl":"10.1016/j.ccst.2025.100535","url":null,"abstract":"<div><div>This study proposed a dual moving bed reactor configuration for the calcium looping (CaL) process, aiming to improve CO<sub>2</sub> capture efficiency and reduce the energy consumption. A multistage thermodynamic equilibrium model was developed to simulate the gas-solid countercurrent reactive flow pattern. A comparative study was conducted between the proposed dual moving bed (DMB) CaL system and the conventional dual fluidized bed (DFB) configuration. At an R<sub>Ca/</sub><em><sub>C</sub></em> = 4, the gas-solid countercurrent moving bed carbonator can achieve a CO<sub>2</sub> capture efficiency exceeding 95 %, an improvement of over 3 % compared to the fluidized bed system operating at 650 °C. Internal countercurrent heat exchange of the MB carbonator increases the solid outlet temperature by approximately 60 °C, consequently reducing the calciner’s fuel consumption by 5.04 %. The gas-solid countercurrent flow in the calciner improved internal heat integration and further decreased fuel demand by 13.71 %. Thus, the DMB CaL system attained a calciner-specific energy consumption of 3.61 GJ/t CO<sub>2</sub>, representing a 19.78 % reduction from the DFB CaL system. When integrated into a coal-fired power plant, the specific energy consumption for CO<sub>2</sub> avoided (SPECCA) is 2.40 GJ/t CO<sub>2</sub>, an 8.40 % decrease compared to the DFB CaL process. This improvement enhances the techno-economic performance of the CaL process and highlights its potential for industrial CO<sub>2</sub> capture.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100535"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412813","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}
Ye-Sub Son , Shaukat Ali Mazari , Min-Kyeong Oh , Gwan Hong Min , Hyung Jin Park , Sunghoon Lee , Il-Hyun Baek , Chang-Ha Lee , Jong-Ho Moon , Sung-Chan Nam
{"title":"Energy-efficient CO2 capture with piperazine and 3-dimethylamino-1-propanol blends: Modeling, experimental validation, and regeneration energy optimization","authors":"Ye-Sub Son , Shaukat Ali Mazari , Min-Kyeong Oh , Gwan Hong Min , Hyung Jin Park , Sunghoon Lee , Il-Hyun Baek , Chang-Ha Lee , Jong-Ho Moon , Sung-Chan Nam","doi":"10.1016/j.ccst.2025.100493","DOIUrl":"10.1016/j.ccst.2025.100493","url":null,"abstract":"<div><div>The contribution of solvent regeneration energy to amine-based CO<sub>2</sub> capture processes is a major hurdle to their large-scale economic viability. It is important to develop solvents that reduce CO<sub>2</sub> capture cost without compromising the process performance or operations. To reduce regeneration energy, this study focuses on the development of aqueous blends of piperazine (PZ) and 3-dimethylamino-1-propanol (3DMA1P) as an energy-efficient absorbent for CO<sub>2</sub> capture. The study relies on rigorous modeling, supported by experimental data. The experimental data from this study and the literature includes CO<sub>2</sub> solubility, NMR speciation, heat of absorption, and physical properties. To determine the potential application of PZ-3DMA1P blend for CO<sub>2</sub> capture, their equilibrium CO<sub>2</sub> solubility, cyclic capacity, heat of absorption, and, more importantly, solvent regeneration energy was investigated. Regeneration energy is calculated and evaluated under the influence of various operating parameters such as absorber temperature (313.15–343.15 K), stripper temperature (373.15–403.15 K), CO<sub>2</sub> partial pressure (1–30 kPa), stripper total pressure (200–400 kPa), CO<sub>2</sub> recovery (80–95 %), amine blending ratio (PZ:3DMA1P, 0–10:40–30 wt.%) and water concentration (60–90 wt.%). The results were compared with those obtained under the same operating conditions using monoethanolamine (MEA) 30 and 40 wt.%, and CESAR-1, the benchmark solvents. Results of the current study for blends of PZ and 3DMA1P are promising, and the solvent system exhibits higher CO<sub>2</sub> absorption capacity and lower regeneration energy compared to MEA and CESAR-1. A comprehensive parametric analysis of regeneration energy enhances the applicability of the results across a diverse range of industries.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100493"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144913238","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}