Carbon Capture Science & Technology最新文献_第10页

Recent advances in carbon-based catalysts for CO2 hydrogenation toward circular economy 面向循环经济的碳基CO2加氢催化剂研究进展

Carbon Capture Science & Technology

Pub Date : 2025-08-12 DOI: 10.1016/j.ccst.2025.100482

Hao Wen , Haiquan Liao , Xueyuan Pan , Kang Sun , Jianchun Jiang , Yanlin Liao , Xiangzhou Yuan , Hao Sun

Thermo-catalytic CO₂ hydrogenation with renewable energy-powered green H₂ 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 CO₂ 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 CO₂ hydrogenation. Based on existing research findings, it is necessary to summarize the latest developments in the field of thermo-catalytic CO₂ 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 CO₂ 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 CO₂ 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 CO₂ hydrogenation were addressed, shedding valuable lights on circular carbon economy and achieving UN Sustainable Development Goals including Goals 7, 12, and 13.

用可再生能源驱动的绿色H2进行热催化CO2加氢是同时生产燃料和化学品（即合成气、酒精和烯烃）并实现循环碳经济的最有前途的方法之一。为了成功地实现商业规模的二氧化碳加氢，人们对高性能催化剂的合成进行了大量的研究。经过一定功能化处理的碳基催化剂具有优异的性能，可实现优异的CO2加氢。在现有研究成果的基础上，有必要对热催化CO2加氢领域的最新进展进行总结，为这一重要领域的持续研究和发展做出重要贡献。在这篇综述中，我们介绍了以多孔碳（PC）、碳纳米管（CNTs）、石墨烯和金属有机框架（mof）衍生碳材料为代表的碳基CO2加氢催化剂的最新进展。对碳基CO2加氢催化剂进行了详细的综合评价，包括载体和金属的性质、催化活性和选择性以及它们之间的相互作用。最后，讨论了碳基催化剂用于商业规模二氧化碳加氢的未来挑战和研究趋势，为循环碳经济和实现联合国可持续发展目标（包括目标7、12和13）提供了有价值的启示。

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引用次数: 0

Mechanisms for interactions of H2S and Hg0 with oxygen carrier LaMnO3 during chemical looping combustion: a DFT study 化学环燃烧过程中H2S和Hg0与氧载体LaMnO3相互作用的机制：DFT研究

Carbon Capture Science & Technology

Pub Date : 2025-08-08 DOI: 10.1016/j.ccst.2025.100480

Zhongze Bai , Kai H. Luo

Mercury (Hg⁰) and hydrogen sulphide (H₂S) inevitably coexist during chemical looping combustion (CLC) of coal or coal-derived syngas. Their interactions with oxygen carriers are critical to understanding mercury transformation and removal. In this study, density functional theory (DFT) calculations were conducted to investigate the reaction mechanisms among Hg⁰, H₂S, and the LaMnO₃(010) surface (a Mn-based perovskite with excellent redox properties and thermal stability). Results show that H₂S, HS, and S chemisorb on the surface via stable S-Mn bonding, while HgS forms through parallel adsorption involving both Hg-Mn and S-Mn bonds. The preferred H₂S decomposition pathway involves simultaneous dehydrogenation to produce S* and H*, with H* subsequently forming H₂ or H₂O. Among the examined reaction routes, Hg⁰ reacts most favourably with S* via the Eley-Rideal mechanism, exhibiting the lowest energy barrier of 2.939 eV. These findings offer atomic-level insight into Hg-S interactions on LaMnO₃ surfaces and provide a theoretical foundation for the rational design of perovskite-based oxygen carriers (OCs) capable of efficient simultaneous mercury capture and sulphur stabilization, thereby advancing integrated Hg⁰ and HgS removal strategies in CLC systems.

在煤或煤制合成气的化学环燃烧过程中，汞（Hg0）和硫化氢（H2S）不可避免地共存。它们与氧载体的相互作用对于理解汞的转化和去除至关重要。本研究通过密度泛函理论（DFT）计算研究了Hg0、H2S和LaMnO3（010）表面（一种具有优异氧化还原性能和热稳定性的锰基钙钛矿）之间的反应机理。结果表明，H2S、HS和S通过稳定的S- mn键在表面化学吸附，而HgS则通过h - mn和S- mn键的平行吸附形成。首选的H2S分解途径是同时脱氢生成S*和H*， H*随后生成H2或H2O。在所研究的反应途径中，Hg0与S*最有利的反应途径是Eley-Rideal机制，其能垒最低，为2.939 eV。这些发现为LaMnO3表面Hg-S相互作用提供了原子水平的见解，并为合理设计能够有效同时捕获汞和稳定硫的钙钛矿基氧载体（OCs）提供了理论基础，从而推进了CLC系统中Hg0和HgS的综合去除策略。

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引用次数: 0

Concomitant generation of hydrogen during carbon dioxide storage in ultramafic massifs- state of the art with implications to decarbonization strategies 在超镁质块体中二氧化碳储存过程中伴随产生的氢——对脱碳策略的影响的最新研究进展

Carbon Capture Science & Technology

Pub Date : 2025-08-08 DOI: 10.1016/j.ccst.2025.100481

Mahmoud Leila , Randy Hazlett , Paul Mathews George , Isabelle Moretti , Zhaksylyk Kabashev , Milovan Fustic

Key strategies to mitigate the detrimental effects of climate change include a rapid transition to green, zero-carbon energy sources coupled with geological storage of CO₂. Mineral trapping of CO₂ recently emerged as one of the most efficient and lowest-risk approaches for long-term CO₂ sequestration. Given the high reactivity of ultramafic lithologies with CO₂, their potential for large-scale mineralization warrants further investigation. In addition to their capacity for CO₂ sequestration, ultramafic massifs are recognized as a potential source of natural hydrogen (H₂) through serpentinization. This dual functionality—CO₂ mineralization and H₂ generation—positions ultramafic lithologies as critical components in the emerging hydrogen economy and decarbonization strategies.

This article provides a comprehensive review of the current understanding of the processes governing natural hydrogen (H₂) generation and carbon dioxide (CO₂) mineralization across various ultramafic lithotypes. Although these processes can occur concurrently, the degree of mineral dissolution, oxidation, and subsequent precipitation exhibits substantial variability depending on the lithology. Moreover, the optimal temperature ranges for H₂ generation and CO₂ mineralization differ, further influencing their coupling potential. A viable window for dual functionality appears to involve oxidation–reduction with CO₂-saturated water, which liberates Mg²⁺ and Fe²⁺. Subsequently, Mg²⁺ reacts with excessive CO₂ to precipitate carbonate minerals, while Fe²⁺ is oxidized to produce H₂. Laboratory experiments demonstrate that specific ultramafic lithotypes enriched in magnesium-bearing mineral phases (e.g. brucite, forsterite, serpentine) are favorable for CO₂ mineralization. Additionally, incorporation of Fe²⁺ within these mineral phases during stages of serpentinization would be favorable for H₂ production. Mineralogical alterations induced by serpentinization and carbonation processes are characterized by distinct physical and geochemical signatures. These alterations result in significant variations in magnetic susceptibility, rock density, seismic wave velocity, and volatile content. Such measurable changes provide critical diagnostic tools for developing an integrated exploration framework aimed at identifying favorable zones, or "sweet spots," for CO₂ mineralization and H₂ generation within ultramafic lithologies.

缓解气候变化有害影响的关键战略包括迅速过渡到绿色、零碳能源，并结合二氧化碳的地质储存。二氧化碳的矿物捕获最近成为长期二氧化碳封存最有效和风险最低的方法之一。鉴于超镁铁质岩性与CO₂的高反应性，它们的大规模成矿潜力值得进一步研究。超镁质岩体除了具有固碳能力外，还被认为是通过蛇纹石化产生天然氢（H₂）的潜在来源。这种双重功能- co 2矿化和H 2生成-使超镁基性岩性成为新兴氢经济和脱碳战略的关键组成部分。本文全面回顾了目前对各种超镁质岩石类型的自然氢（H₂）生成和二氧化碳（CO₂）矿化过程的理解。虽然这些过程可以同时发生，但矿物溶解、氧化和随后的沉淀的程度根据岩性表现出很大的变化。此外，产H和CO 2矿化的最佳温度范围不同，进一步影响了它们的耦合势。双重功能的可行窗口似乎涉及CO 2饱和水的氧化还原，从而释放Mg2+和Fe2+。随后，Mg2+与过量的CO₂反应沉淀碳酸盐矿物，而Fe2+被氧化生成H₂。室内实验表明，富镁矿相（水镁石、橄榄石、蛇纹石）的特定超镁质岩型有利于CO 2矿化。此外，在蛇纹石化阶段，在这些矿物相中掺入Fe2+将有利于H₂的产生。蛇纹石化和碳酸化过程引起的矿物学蚀变具有明显的物理和地球化学特征。这些变化导致磁化率、岩石密度、地震波速度和挥发物含量的显著变化。这些可测量的变化为开发综合勘探框架提供了关键的诊断工具，旨在确定超镁质岩性中CO 2矿化和H 2生成的有利区域或“甜点”。

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引用次数: 0

A KAN-based interpretable framework for prediction of global warming potential across chemical space 基于kan1的化学空间全球变暖潜势预测可解释框架

Carbon Capture Science & Technology

Pub Date : 2025-08-05 DOI: 10.1016/j.ccst.2025.100478

Jaewook Lee, Xinyang Sun , Ethan Errington , Calum Drysdale, Miao Guo

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.

准确而可解释的全球变暖潜势（GWP）预测对于新分子、化学过程和材料的可持续设计至关重要。这种能力在早期筛选与碳管理和新兴CCUS应用潜在相关的化合物时很有价值。然而，传统模型经常面临预测准确性和可解释性之间的权衡。在这项研究中，我们提出了一个基于人工智能的GWP预测框架，该框架集成了分子和过程水平的特征，以提高准确性，同时采用白盒建模技术来增强可解释性。首先，通过结合分子描述符（MACCS键、Mordred描述符）和过程级信息（过程标题、描述、位置），深度神经网络（DNN）模型在测试数据上实现了86%的R²，比之前研究中报告的最可比基准提高了25%。XAI分析进一步强调了过程相关特征（特别是过程标题嵌入）在增强模型预测方面的关键作用。其次，为了解决模型透明度的需要，我们采用了Kolmogorov-Arnold网络（KAN）模型来开发一个象征性的白盒GWP预测模型。在实现较低的R²（64%）的同时，该模型提供了GWP关系的明确数学表示，使可持续化学和工艺设计的决策具有可解释性。我们的研究结果表明，整合分子和过程水平的特征可以提高全球升温潜能值模型的预测准确性和可解释性。由此产生的框架可以支持新化合物的早期环境评估，为化学品的可持续设计提供有用的工具，包括那些在CCUS中有潜在应用的化学品。

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引用次数: 0

One- or two-step processes: Which have a lower GHG emissions intensity for production of synthetic aviation fuel via indirect CO2 electrolysis? 一步法或两步法：通过间接二氧化碳电解生产合成航空燃料，哪种方法的温室气体排放强度更低？

Carbon Capture Science & Technology

Pub Date : 2025-08-05 DOI: 10.1016/j.ccst.2025.100477

Haoming Ma , Shariful Kibria Nabil , Keju An , Emily Nishikawa , Md Golam Kibria , Joule A. Bergerson , Zhangxin Chen , Sean T. McCoy

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 CO₂-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.

可持续航空燃料（SAF）的发展可以为解决航空业面临的双重挑战铺平道路：满足不断增长的航空运输需求和实现净零排放目标。本研究估算了通过四种二氧化碳间接途径（需要中间产品）生产航空燃料的井到泵（WtP）和井到尾流（WtW）温室气体排放强度（EI），并将WtW的温室气体排放强度与传统的化石燃料和生物乙醇途径进行了比较。我们的目标是确定一步或两步电化学转化是否更有可能产生更低的温室气体强度的航空燃料，在什么条件下，结合这些电化学过程的途径比传统的原油基和生物质基航空燃料具有更低的温室气体EI，以及这些二氧化碳衍生的可持续航空燃料（CO₂- saf）途径是否可以接近“碳中和”。本研究的主要发现是：(1)使用乙烯作为中间体的过程倾向于具有较低的GHG EI，尽管在一步和两步途径之间没有显著差异；(2)如果仔细选择地点以最大限度地减少电力供应的温室气体排放，并且战略性地选择CO₂源，则所有途径都可以实现低于化石和生物质途径的温室气体排放；(3)虽然这些途径有可能接近零温室气体排放，但燃料制造的排放将很难完全消除。值得注意的是，以CO₂为基础的SAF的GHG EI对背景系统参数（如电力和CO₂供应的碳强度）的敏感性远高于技术参数。因此，背景因素可能比技术创新对温室气体排放的影响更大。

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引用次数: 0

Advancements in the treatment of amine-rich wastewater from amine-based post-combustion carbon capture: a review 胺基燃烧后碳捕集法处理富胺废水的研究进展

Carbon Capture Science & Technology

Pub Date : 2025-07-31 DOI: 10.1016/j.ccst.2025.100475

Sepideh Hashemi Safaei, Stephanie Young

Carbon capture and storage (CCS) plants play a pivotal role in reducing greenhouse gas emissions from carbon-intensive industries while enabling the continued use of fossil fuels. Among CCS methods, amine-based post-combustion capture is widely used for its efficiency and cost-effectiveness. However, the process generates substantial amine-rich wastewater containing harmful compounds like amines, ammonia, nitramines, sulfate, and nitrosamines, posing significant environmental and health challenges. This review examines recent developments in treating amine-rich wastewater, with a focus on economically viable and environmentally sustainable solutions. It discusses amine degradation pathways, byproduct toxicity, and the environmental impacts of untreated wastewater. By examining the physical, chemical, and biological technologies, biological processes, such as the pre-denitrification-nitrification process, stand out as effective and eco-friendly solutions for treating amine-rich wastewater. This study also proposes anaerobic ammonium oxidation (ANAMMOX) as a promising approach due to the low carbon-to-nitrogen ratio of CCS wastewater. A combined denitrification-anammox process is recommended to improve nitrogen removal efficiency by producing an ammonium- and bicarbonate-rich effluent that favors anammox bacterial growth. However, its effectiveness has not yet been evaluated, highlighting the need for further research. The conducted literature review also reveals that most existing research has focused on the removal of individual wastewater components rather than treating actual CCS wastewater, highlighting the need for integrated, scalable treatment approaches tailored to real CCS effluents.

碳捕集与封存（CCS）工厂在减少碳密集型工业的温室气体排放，同时使化石燃料得以继续使用方面发挥着关键作用。在碳捕集与封存方法中，胺基燃烧后捕集因其效率高、成本效益好而被广泛应用。然而，该工艺产生大量富含胺的废水，其中含有胺、氨、硝胺、硫酸盐和亚硝胺等有害化合物，对环境和健康构成重大挑战。本文综述了处理富胺废水的最新进展，重点是经济上可行和环境上可持续的解决方案。它讨论了胺的降解途径，副产物的毒性，以及未经处理的废水对环境的影响。通过对物理、化学和生物技术的研究，生物过程，如预反硝化-硝化过程，作为处理富胺废水的有效和环保的解决方案脱颖而出。由于CCS废水的低碳氮比，本研究还提出厌氧氨氧化（ANAMMOX）是一种很有前途的方法。建议采用反硝化-厌氧氨氧化联合工艺，通过产生有利于厌氧氨氧化细菌生长的富含铵和碳酸氢盐的出水来提高氮的去除效率。然而，其有效性尚未得到评价，因此需要进一步研究。所进行的文献综述还显示，大多数现有研究都侧重于去除单个废水成分，而不是处理实际的CCS废水，这突出了针对实际CCS废水量身定制的综合、可扩展的处理方法的必要性。

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引用次数: 0

Unveiling the pivotal role of Ni doping in ilmenite as oxygen carrier to realize simultaneous enhanced oxygen release and inhibited phase segregation in chemical looping process 揭示了钛铁矿中掺杂镍作为氧载体，在化学环化过程中实现同时增强氧释放和抑制相偏析的关键作用

Carbon Capture Science & Technology

Pub Date : 2025-07-29 DOI: 10.1016/j.ccst.2025.100474

Haochen Sun , Susanna T. Maanoja , Lujiang Xu , Huan Liu , Daofeng Mei , Wen-Da Oh , Chao He

Biomass chemical looping gasification (BCLG) has demonstrated great potential in tackling global climate challenges through green energy transition. However, CH₄ and tar generation are still significant obstacles for the commercialization of BCLG. In this study, we have developed a cost-effective Ni-modified ilmenite oxygen carrier (OC) for BCLG to greatly reduce the CH₄ content and simultaneously increase the syngas generation. Several industrial wastes were investigated and screened based on their syngas and CH₄ reactivity. Results show that ilmenite exhibits excellent syngas selectivity and potential reactivity with CH₄. However, the reaction of ilmenite with CH₄ proceeds slowly owing to the phase transformation process of TiFe₂O₅ - TiFeO₃ - Fe being the rate-limiting step. Thus, various metallic dopants (i.e., Ni, Co, and Ca) were applied as promoters to reinforce its CH₄ reactivity. Interestingly, Ni exhibited a higher promoting effect than Ca, whereas Co had little promotion on ilmenite reactivity. The superior performance of Ni doping could be attributed to the incorporation of Ni²⁺ element in Fe-O-Ti structure rather than Ni⁰, which was validated by pre-activation and cyclic experiments, and density functional theory calculations. Modulated electronic structure by Ni²⁺ in Fe-O-Ti lattice was responsible for significantly promoted oxygen release capacity and enhanced Fe/Ti interactions, thereby activating the reactivity of ilmenite with CH₄ and suppressing Ti/Fe phase segregation. Therefore, this as-prepared 5Ni-ilmenite could be a promising cost-effective OC in BCLG for high quality syngas production.

生物质化学循环气化（BCLG）在通过绿色能源转型应对全球气候挑战方面显示出巨大潜力。然而，CH4和焦油的产生仍然是BCLG商业化的重大障碍。在本研究中，我们开发了一种具有成本效益的镍改性钛铁矿氧载体（OC）用于BCLG，大大降低了CH4含量，同时增加了合成气的生成量。对几种工业废弃物的合成气和CH4反应性进行了研究和筛选。结果表明，钛铁矿具有良好的合成气选择性和与CH4的潜在反应活性。然而，钛铁矿与CH4的反应进行缓慢，因为TiFe2O5 - TiFeO3 - Fe相变过程是限速步骤。因此，各种金属掺杂剂（即Ni， Co和Ca）被用作促进剂来增强其CH4反应性。有趣的是，Ni对钛铁矿反应性的促进作用高于Ca，而Co对钛铁矿反应性的促进作用较小。Fe-O-Ti结构中掺杂了Ni2+元素，而不是Ni0元素，这一点通过预活化、循环实验和密度泛函理论计算得到了验证。Fe- o -Ti晶格中Ni2+调制的电子结构显著提高了钛铁矿的氧释放能力，增强了Fe/Ti相互作用，从而激活了钛铁矿与CH4的反应活性，抑制了Ti/Fe相偏析。因此，该制备的5ni -钛铁矿可能是BCLG中具有高性价比的OC，用于高质量合成气的生产。

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引用次数: 0

Carbon supported dual functional materials for integrated carbon dioxide capture and methanation: Performance of different support materials and carbon footprint assessment 碳支撑双功能材料用于二氧化碳捕获和甲烷化：不同支撑材料的性能和碳足迹评估

Carbon Capture Science & Technology

Pub Date : 2025-07-29 DOI: 10.1016/j.ccst.2025.100473

Lanxun Zhao , Ruting Nie , Zhenliang Guo , Jiawen Hu , Qiang Hu , Shuiping Yan , Dingding Yao , Haiping Yang

Integrated CO₂ capture and utilization (ICCU) serves an effective strategy to achieve carbon neutrality, while the dual function materials (DFMs) are the key for high-efficient ICCU process. A series of CaONi based DFMs with different support materials, including Al₂O₃, CeO₂, graphene (GPE) and commercial multi-walled carbon nanotubes (MWCNTs), were synthesized and compared for integrated CO₂ capture and methanation (ICCM). The effect of operational temperatures on carbon conversion and CH₄ production was also explored. Results show that metal oxides supported DFMs exhibit relatively high CH₄ yield, while the carbon materials possessed comparable activity but very good durability in a continuous ICCM test for 10 cycles. The improved stability was contributed by the resistance in metal phase aggregation which restrained the increase of Ni particle size during cycle test. A favorable performance with CO₂ capture capacity of 0.24 mmol/g_DFMs and CO₂ conversion of 80 % were achieved in the presence of DFMs supported by commercial MWCNTs at 450 °C. Furthermore, cost-effective plastic waste derived MWCNTs were used to replace the commercial samples for the above ICCM process from a green and sustainable perspective. It is found that Co modified CaONi DFMs supported by plastic derived MWCNTs displayed excellent performance with approximately 0.15 mmol/g_DFMs of CH₄ yield and even 100 % of CH₄ selectivity in ICCM. This may be contributed by the enhanced CO₂ adsorption/activation and H₂ chemisorption with Co addition. Carbon footprint assessment show that the plastic waste assisted ICCM process achieved around 92 % and 20 % reduction in global warming potential compared to two prevalent industrial carbon conversion and methanation scenarios. These findings highlight the promising potential of the proposed ICCM for enhancing industrial sustainability and combating climate change.

二氧化碳综合捕集与利用（ICCU）是实现碳中和的有效策略，而双功能材料（dfm）是实现高效捕集与利用的关键。采用不同的支撑材料，包括Al2O3、CeO2、石墨烯（GPE）和商用多壁碳纳米管（MWCNTs），合成了一系列草酸基dfs，并对其综合CO2捕集和甲烷化（ICCM）进行了比较。探讨了操作温度对碳转化率和CH4产量的影响。结果表明，在连续10次ICCM测试中，金属氧化物支持的dfm具有较高的CH4产率，而碳材料具有相当的活性，但耐久性非常好。在循环试验中，金属相聚集的阻力抑制了Ni粒度的增加，从而提高了稳定性。在商用MWCNTs负载的dfm存在下，在450°C下实现了0.24 mmol/gDFMs的CO2捕集能力和80%的CO2转化率。此外，从绿色和可持续的角度来看，使用具有成本效益的塑料废物衍生的MWCNTs来取代上述ICCM工艺的商业样品。研究发现，由塑料衍生的MWCNTs负载的Co修饰的CaONi DFMs表现出优异的性能，在ICCM中CH4产率约为0.15 mmol/gDFMs， CH4选择性甚至达到100%。这可能是由于Co的加入增强了CO2的吸附/活化和H2的化学吸附。碳足迹评估表明，与两种普遍的工业碳转化和甲烷化情景相比，塑料废物辅助ICCM过程实现了约92%和20%的全球变暖潜能值降低。这些发现突出了拟议的ICCM在提高工业可持续性和应对气候变化方面的巨大潜力。

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引用次数: 0

Rationality and practicability of performing water-gas shift at ultrahigh-temperatures: pioneering exploration for short-flow syngas upgrading 超高温水气转换的合理性与实用性——短流合成气改造的开创性探索

Carbon Capture Science & Technology

Pub Date : 2025-07-27 DOI: 10.1016/j.ccst.2025.100472

Yang Liu , Zhenyu Jin , Zhiwen Chen , Jiacong Chen , Hang Yang , Ming Zhao

Water-gas shift (WGS) reaction is an important process linking gasification syngas upgrading to downstream synthesis of pure H₂ or hydrogen-based fuels such as ammonia, methanol, and sustainable aviation fuel (SAF). The conventional WGS reaction is a long process that includes syngas cleaning and cooling, pressurization, and multistep medium- and low-temperature shift reactions. The latest progress in biomass gasification has led to breakthroughs in the production of low-tar and pressurized syngas, which could facilitate a short process flow for the WGS at high temperatures with minimized heat loss and maximized shift kinetics. However, WGS still faces thermodynamic limitations at high temperatures. Herein, a new ultrahigh-temperature WGS (UT-WGS) strategy is explored using a Cr-free hybrid catalyst that contains both catalytic and adsorptive sites. The results revealed that the optimum reaction temperature and H₂O/CO ratio are 600 °C and 2, respectively, while the maximum CO conversion and H₂ content are 67.73 % and 75.42 %. Our research contributes to direct upgrading of gasification syngas and low-cost production of hydrogen-based fuels, which will appeal to a broad scientific and engineering audience.

水气转换（WGS）反应是连接气化合成气升级到下游合成纯H2或氢基燃料（如氨、甲醇和可持续航空燃料（SAF））的重要过程。传统的WGS反应是一个漫长的过程，包括合成气清洗和冷却、加压以及多步中低温变换反应。生物质气化的最新进展导致了低焦油和加压合成气生产的突破，这可以促进高温下WGS的短工艺流程，最大限度地减少热损失和最大限度地提高转移动力学。然而，WGS在高温下仍然面临热力学限制。本文研究了一种新的超高温WGS （UT-WGS）策略，该策略使用一种无铬杂化催化剂，该催化剂同时含有催化和吸附位点。结果表明，最佳反应温度为600℃，H2O/CO比为2℃，CO转化率和H2含量分别为67.73%和75.42%。我们的研究有助于气化合成气的直接升级和氢基燃料的低成本生产，这将吸引广泛的科学和工程受众。

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引用次数: 0

Perspective on artificial intelligence for carbon capture utilization and storage (CCUS) in Petrochemical Industry 人工智能在石油化工碳捕集利用与封存中的应用展望

Carbon Capture Science & Technology

Pub Date : 2025-07-25 DOI: 10.1016/j.ccst.2025.100471

Jin Ma , Yide Han , Meihong Wang , Weimin Zhong , Wenli Du , Feng Qian

The energy-intensive petrochemical industry contributes 14 % of global industrial emissions. In the face of climate change, there is an urgent need for the petrochemical industry transition to low carbon manufacturing. Deployment of carbon capture, utilization and storage (CCUS) technologies can effectively reduce carbon emissions from the petrochemical industry. However, the large-scale deployment of CCUS faces the obstacles of high energy consumption and high cost. Artificial intelligence (AI) has shown great potential to accelerate the large-scale deployment of CCUS in the petrochemical industry. Nevertheless, most AI-based approaches are still largely at the research stage and not yet widely adopted in industrial practice. This paper explores four aspects of AI for petrochemical industry to reduce CO₂ emission, including the solvent selection and design for carbon capture, catalyst design for CO₂ utilisation, hybrid process modelling for optimal design and operation, and life cycle sustainability assessment. We evaluate different promising approaches for AI in each aspect and highlight our key findings, with the goal to accelerate the petrochemical industry transition to carbon neutrality.

能源密集型的石化工业占全球工业排放的14%。面对气候变化，石化行业迫切需要向低碳制造转型。碳捕集、利用和封存（CCUS）技术的部署可以有效地减少石化行业的碳排放。然而，CCUS的大规模部署面临着高能耗和高成本的障碍。人工智能（AI）在加速CCUS在石化行业的大规模部署方面显示出巨大的潜力。然而，大多数基于人工智能的方法在很大程度上仍处于研究阶段，尚未在工业实践中广泛采用。本文探讨了人工智能在石化行业减少二氧化碳排放方面的四个方面，包括用于碳捕集的溶剂选择和设计、用于二氧化碳利用的催化剂设计、用于优化设计和运行的混合过程建模以及生命周期可持续性评估。我们在每个方面评估了人工智能的不同有前途的方法，并强调了我们的主要发现，目标是加速石化行业向碳中和的过渡。

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引用次数: 0