{"title":"A KAN-based interpretable framework for prediction of global warming potential across chemical space","authors":"Jaewook Lee, Xinyang Sun , Ethan Errington , Calum Drysdale, Miao Guo","doi":"10.1016/j.ccst.2025.100478","DOIUrl":"10.1016/j.ccst.2025.100478","url":null,"abstract":"<div><div>Accurate yet interpretable prediction of Global Warming Potential (GWP) is essential for the sustainable design of novel molecules, chemical processes and materials. This capability is valuable in the early-stage screening of compounds with potential relevance to carbon management and emerging CCUS applications. However, conventional models often face a trade-off between predictive accuracy and interpretability. In this study, we propose an AI-based GWP prediction framework that integrates both molecular and process-level features to improve accuracy while employing white-box modeling techniques to enhance interpretability. First, by incorporating molecular descriptors (MACCS keys, Mordred descriptors) and process-level information (process title, description, location), the Deep Neural Network (DNN) model achieved an R² of 86 % on the test data, representing a 25 % improvement over the most comparable benchmark reported in prior studies. XAI analysis further highlights the crucial role of process-related features, particularly process title embeddings, in enhancing model predictions. Second, to address the need for model transparency, we employed a Kolmogorov–Arnold Network (KAN) model to develop a symbolic, white-box GWP prediction model. While achieving a lower R² of 64 %, this model provides explicit mathematical representations of GWP relationships, enabling interpretable decision-making in sustainable chemical and process design. Our findings demonstrate that integrating molecular and process-level features improves both predictive accuracy and interpretability in GWP modelling. The resulting framework can support early-stage environmental assessment of novel compounds, offering a useful tool to inform the sustainable design of chemicals, including those with potential applications in CCUS.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100478"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144826964","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":"Unlocking the potential of CO2 storage in saline aquifers: Challenges, knowledge gaps, and future directions for large-scale storage","authors":"Maryana Emad Helmi , Isah Mohammed , Mohamed Gamal Rezk , Afeez Olayinka Gbadamosi , Arshad Raza , Mohamed Mahmoud","doi":"10.1016/j.ccst.2025.100460","DOIUrl":"10.1016/j.ccst.2025.100460","url":null,"abstract":"<div><div>Saline aquifers represent a significant geological option for large-scale CO<sub>2</sub> storage through CO<sub>2</sub> solubilization in brine and subsequent geochemical interactions that facilitate mineralization. Nevertheless, their heterogeneous nature influences the kinetics of CO<sub>2</sub> dissolution and long-term stability. This review assesses advancements in experimental and modelling efforts regarding CO2 solubilization in saline aquifers, considering natural convection, diffusion, and dispersion factors. It also investigates the application of nanobubble technology to enhance storage capacity and stability, along with various technologies that could be utilized for its generation. Furthermore, geochemical implications, mineral trapping, and field-scale observations have been reviewed to offer a comprehensive understanding of the storage mechanisms. Our findings indicate that optimizing brine chemistry and harnessing nanobubble technology could augment storage capacity and security. Furthermore, careful selection of injection sites, CO<sub>2</sub> injectivity, and the security of injected CO<sub>2</sub> are factors that must be addressed to unlock the storage potential of saline aquifers. Moreover, enhanced modelling approaches are required to reflect aquifer heterogeneity, which continues to pose a significant challenge in accurately modelling the long-term behaviour of CO<sub>2</sub> in saline aquifers.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100460"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517756","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}
Haoming Ma , Shariful Kibria Nabil , Keju An , Emily Nishikawa , Md Golam Kibria , Joule A. Bergerson , Zhangxin Chen , Sean T. McCoy
{"title":"One- or two-step processes: Which have a lower GHG emissions intensity for production of synthetic aviation fuel via indirect CO2 electrolysis?","authors":"Haoming Ma , Shariful Kibria Nabil , Keju An , Emily Nishikawa , Md Golam Kibria , Joule A. Bergerson , Zhangxin Chen , Sean T. McCoy","doi":"10.1016/j.ccst.2025.100477","DOIUrl":"10.1016/j.ccst.2025.100477","url":null,"abstract":"<div><div>The development of sustainable aviation fuel (SAF) could pave the way towards addressing the dual challenges faced by the aviation sector: meeting rising demand for air transport and achieving net-zero targets. In this study, the well-to-pump (WtP) and well-to-wake (WtW) greenhouse gas (GHG) emissions intensity (EI) of aviation fuel production via four CO<sub>2</sub>-indirect pathways (intermediate products are required) is estimated and the WtW GHG EI compared to conventional fossil-based and bio-ethanol pathways. We aim to determine whether a one- or two-step electrochemical conversion is more likely to result in lower GHG intensity aviation fuel, under what conditions pathways incorporating these electrochemical processes have a lower GHG EI than conventional crude oil-based and biomass-based jet fuels, and whether these CO₂-derived sustainable aviation fuel (CO₂-SAF) pathways can approach “carbon neutrality.” The key findings from this work are: (1) processes using ethylene as an intermediate tend to have a lower GHG EI, although there is not a meaningful difference between one- and two-step pathways; (2) all pathways could achieve a lower GHG EI than fossil and biomass based routes if the location is carefully selected to minimize the GHG EI of electricity supply and if the CO₂ source is strategically chosen; and (3) while these pathways have the potential to approach zero GHG emissions, emissions from fuel manufacturing will be challenging to eliminate entirely. Notably, the GHG EI of CO₂-based SAF is far more sensitive to background system parameters, such as the carbon intensity of electricity and CO₂ supply, than to technical parameters. Therefore, we suggest that background factors may play a greater role in determining GHG EI than technical innovation.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100477"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144841723","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}
Ve Van Le , Maranda Esterhuizen , Quynh-Giao Tran , Jin-Ho Yun , Man-Young Jung , Sang-Ah Lee
{"title":"Harnessing microalgae to mitigate the environmental impact of the cement industry: Emission reduction and bio-cement production","authors":"Ve Van Le , Maranda Esterhuizen , Quynh-Giao Tran , Jin-Ho Yun , Man-Young Jung , Sang-Ah Lee","doi":"10.1016/j.ccst.2025.100448","DOIUrl":"10.1016/j.ccst.2025.100448","url":null,"abstract":"<div><div>The cement industry has been the cornerstone of economic development since the Industrial Revolution. However, the calcination process used to produce cement raw materials releases various pollutants, such as carbon dioxide, nitrogen oxides, and sulfur oxides, which are key contributors to global warming. Therefore, innovative technologies are urgently needed to minimize the environmental impact of the cement industry. In recent years, microalgae have gained attention because of their advantages in recovering resources and reducing the impacts of industrial pollutants. The use of microalgae to address the environmental challenges associated with cement production remains largely overlooked in current reviews. This review summarizes the recent advances in the utilization of microalgae to address the environmental challenges posed by the cement industry. Microalgae offer two main pathways for environmental mitigation: the (i) production of bio-cement as an eco-friendly alternative for construction and (ii) conversion of cement flue gases into biomass feedstock with high-value downstream applications. We also identify existing challenges and propose an integrative “Microalgae–Bacteria Consortium” system as a sustainable strategy for the significant reduction of the environmental footprint of cement production. This approach has the potential to transform the cement industry into a more sustainable and eco-friendlier sector. Overall, microalgae provide an innovative and sustainable platform to revolutionize the cement industry into a greener sector, supporting the global shift toward a low-carbon, circular economy.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100448"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222915","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}
Liming Huang , Baodong Li , Xinping Zhu , Ning Li , Xin Zhang
{"title":"Cement and concrete as carbon sinks: Transforming a climate challenge into a carbon storage opportunity","authors":"Liming Huang , Baodong Li , Xinping Zhu , Ning Li , Xin Zhang","doi":"10.1016/j.ccst.2025.100490","DOIUrl":"10.1016/j.ccst.2025.100490","url":null,"abstract":"<div><div>Cement and concrete, while traditionally recognized as one of the main contributors to anthropogenic CO<sub>2</sub> emissions, also have untapped capacity to serve as substantial carbon sinks. This paper provides a comprehensive perspective on how engineered mineral carbonation can transform cement-based materials into carbon storage systems. We briefly review the fundamental mechanisms of CO<sub>2</sub> storage in cementitious systems and highlight current limitations in understanding of reaction kinetics, end-phase regulation and performance control. The effect of CO<sub>2</sub> uptake on material performance is critically evaluated with respect to the fresh performance, mechanical properties and long-term durability. Emphasis is placed on the valorization of alkaline industrial residues and emerging carbonatable binders, which offer sequestration capacity and sustainable resource use. A strategic roadmap is proposed with integration of scientific innovation, regulatory alignment, and carbon accounting in the life cycle, to accelerate the adoption of carbon-storing concrete. This perspective provides a framework to advance cement and concrete as engineered carbon sinks and supports the transition to a climate-positive construction industry.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100490"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144921585","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}
Jeffrey Anderson , David C. Rode , Haibo Zhai , Paul S. Fischbeck
{"title":"Incentives and 99% capture rate: Minimizing post-decision regret in a net-zero power world","authors":"Jeffrey Anderson , David C. Rode , Haibo Zhai , Paul S. Fischbeck","doi":"10.1016/j.ccst.2025.100459","DOIUrl":"10.1016/j.ccst.2025.100459","url":null,"abstract":"<div><div>To hasten power-sector decarbonization, the U.S. Congress legislated changes to the tax code to provide incentives for renewable and zero-carbon capacity expansion and increase existing 45Q incentives for carbon capture and storage (CCS) and direct air capture and storage. We conduct both detailed deterministic and stochastic techno-economic analyses of existing coal-fired electric generating units (CFEGUs) to determine the least-cost solution for a net-zero abate-or-retire-and-replace decision with 17 fungible technologies. Our analysis indicates that CCS capacity at a 99 % capture rate is often economically preferable to renewable and zero-carbon capacity when a 4-hour (or greater) adequacy constraint is imposed. We also show that additional CCS capacity becomes financially viable when the CFEGU economic life matches the incentive duration. Importantly, our analysis indicates that the deployment of 99 % capture rate CCS can decrease the expected post-decision regret and increase the ease of this net-zero decision.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100459"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144481132","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}
Junhyeok Choi , Seongeom Jeong , Semi Jang , Chanhyuk Park , Sanghyun Jeong , Sungju IM
{"title":"Electrochemical mineral carbonation: A sustainable approach to CO₂ capture and utilization","authors":"Junhyeok Choi , Seongeom Jeong , Semi Jang , Chanhyuk Park , Sanghyun Jeong , Sungju IM","doi":"10.1016/j.ccst.2025.100444","DOIUrl":"10.1016/j.ccst.2025.100444","url":null,"abstract":"<div><div>Mineral carbonation for CO<sub>2</sub> 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":"2025-09-01","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}
Maximilian Krödel, Dominic Spescha, Agnieszka Kierzkowska, Felix Donat, Christoph R. Müller
{"title":"Experimental and numerical investigation of the morphological changes of a natural limestone-based CO2 sorbent over repeated carbonation-calcination cycles","authors":"Maximilian Krödel, Dominic Spescha, Agnieszka Kierzkowska, Felix Donat, Christoph R. Müller","doi":"10.1016/j.ccst.2025.100486","DOIUrl":"10.1016/j.ccst.2025.100486","url":null,"abstract":"<div><div>Morphological changes of natural limestone-based CO<sub>2</sub> sorbents during the cyclic transition between CaO and CaCO<sub>3</sub> affect their carbonation rate and cyclic CO<sub>2</sub> uptake. We examine the evolution of the pore structure of Havelock limestone during carbonation in the ranges (I) 2–100 nm, (II) 200–3000 nm and (III) > 3000 nm with unprecedented detail, and correlate morphological changes with the observed carbonation rate. Pores of region (I) are fully filled with CaCO<sub>3</sub> at a CaO conversion > 60 % (1st cycle), leading to a loss of ∼ 90 % of the total surface area of the sorbent, whereas pores of region (II) are only partially filled, and pores of region (III) remain largely unaffected. Throughout the carbonation reaction in the 1st and 10th cycle, the observed carbonation rate decreases linearly with the decreasing total surface area of the sorbent. Supported by kinetic and morphological modelling, our findings challenge the widely used concept of a CaCO<sub>3</sub> product layer of critical thickness limiting CO<sub>2</sub> diffusion to CaO, implying that the reaction is limited by diffusion as soon as the surface of CaO is fully covered with CaCO<sub>3</sub> crystallites. Our results further provide a perspective on the design of efficient CaO-based sorbents by tuning their pore diameter to be larger than > 100 nm, such that the pore volume (and the respective surface area) can be largely regenerated over cycling, in turn yielding a high cyclic CO<sub>2</sub> uptake.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100486"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144879249","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}
Wenqi Fan , Qian Wu , Liang Huang , Xinglei Zhao , Shipeng Ding , Qiang Wang , Ming Xue , Xingchun Li
{"title":"Bifunctional catalysts derived from mineral ores for cost-effective and robust CO2 capture and conversion","authors":"Wenqi Fan , Qian Wu , Liang Huang , Xinglei Zhao , Shipeng Ding , Qiang Wang , Ming Xue , Xingchun Li","doi":"10.1016/j.ccst.2025.100483","DOIUrl":"10.1016/j.ccst.2025.100483","url":null,"abstract":"<div><div>The development of cost-effective and efficient bifunctional materials is crucial for advancing integrated CO<sub>2</sub> capture and utilization (ICCU) technologies. Herein, we report the rational design of a cost-effective bifunctional composite, Ni nanoparticles dispersed on KNaTiO<sub>3</sub> (denoted as KR3) for CO<sub>2</sub> sorption and hydrogenation to CO. The KR3 derived from low-cost natural rutile sand was responsible for CO<sub>2</sub> sorption, while the uniformly dispersed nickel nanoparticles facilitated the transformation of sorbed CO<sub>2</sub> to CO. The formed bifunctional materials showed a CO<sub>2</sub> conversion of 76.7 % with near-perfect selectivity towards CO, and robust cyclic stability over 10 cycles. Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) analysis revealed both the redox mechanism and formate reaction pathway existed in CO<sub>2</sub> hydrogenation to CO. The pelletized 10Ni/KR3 still exhibited decent CO<sub>2</sub> sorption capacity in the presence of O<sub>2</sub>, and 84 % retention of CO<sub>2</sub> conversion was achieved in the hydrogenation process. The bifunctional 10Ni/KR3 material, distinguished by its high CO<sub>2</sub> sorption capacity, superior conversion activity, and robust cyclic stability, not only provides crucial insights for advancing solid CO<sub>2</sub> sorbents for flue gas capture and conversion but also demonstrates significant potential for practical carbon mitigation.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100483"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144879250","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}
Hao Wen , Haiquan Liao , Xueyuan Pan , Kang Sun , Jianchun Jiang , Yanlin Liao , Xiangzhou Yuan , Hao Sun
{"title":"Recent advances in carbon-based catalysts for CO2 hydrogenation toward circular economy","authors":"Hao Wen , Haiquan Liao , Xueyuan Pan , Kang Sun , Jianchun Jiang , Yanlin Liao , Xiangzhou Yuan , Hao Sun","doi":"10.1016/j.ccst.2025.100482","DOIUrl":"10.1016/j.ccst.2025.100482","url":null,"abstract":"<div><div>Thermo-catalytic CO<sub>2</sub> hydrogenation with renewable energy-powered green H<sub>2</sub> is one of the most promising approaches for simultaneously producing fuels and chemicals (i.e., syngas, alcohol, and olefins,) and achieve a circular carbon economy. In order to successfully deploy commercial-scale CO<sub>2</sub> hydrogenation, numerous investigations have been conducted on synthesis of high-performance catalysts. The carbon-based catalysts with certain functionalization treatments have superior properties for achieving excellent CO<sub>2</sub> hydrogenation. Based on existing research findings, it is necessary to summarize the latest developments in the field of thermo-catalytic CO<sub>2</sub> hydrogenation for significantly contribute to the ongoing research and development in this vital area. In this review, we addressed current advances in the fabrication of carbon-based catalysts for CO<sub>2</sub> hydrogenation with representatives of porous carbon (PC), carbon nanotubes (CNTs), graphene, and metal–organic frameworks (MOFs) derived carbon materials. Detailed comprehensive assessments of carbon-based catalysts for CO<sub>2</sub> hydrogenation, involving the properties of support and metal, catalytic activity and selectivity, and their interactions were systematically discussed. Finally, future challenges and research trends in the development of carbon-based catalysts for commercial-scale CO<sub>2</sub> hydrogenation were addressed, shedding valuable lights on circular carbon economy and achieving UN Sustainable Development Goals including Goals 7, 12, and 13.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"16 ","pages":"Article 100482"},"PeriodicalIF":0.0,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144879252","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}