Carbon Capture Science & Technology最新文献

{"title":"Multiscale modeling for the reduction kinetics of a perovskite oxygen carrier based on quantum chemistry and CFD–DEM","authors":"Ruiwen Wang ,&nbsp;Zhenshan Li ,&nbsp;Lei Liu","doi":"10.1016/j.ccst.2024.100357","DOIUrl":"10.1016/j.ccst.2024.100357","url":null,"abstract":"<div><div>The redox of oxygen carriers in chemical looping are non-catalytic heterogeneous reactions which involve physical and chemical processes spanning across four scales: the surface atoms, grains, particles, and the reactor. Although various models are presented in the literature for every single scale, the coupling between every two adjacent scales has not been completely integrated due to the computational cost. A multiscale reaction kinetics model coupling all four scales is developed in this study, combining density-functional theory calculation for reaction mechanisms, microkinetics for grain conversion, the Fick's Law for intraparticle gas diffusion, and CFD–DEM for fluidization. Three coupling simplifications are adopted to reduce computational cost, including the partial equilibrium assumption, continuous grain distribution, and Thiele's-modulus-based effectiveness factor model. Computation is conducted for the reduction of a perovskite oxygen carrier (CaMn_0.375Ti_0.5Fe_0.125O₃₋<em>_δ</em>) by CO, which is experimentally verified on a micro-fluidized-bed thermogravimetric analyzer. The influences of parameters including the temperature, gas concentration, active site density, specific surface area, and particle diversity, are discussed, providing a comparison on the weights of every scale in the process.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100357"},"PeriodicalIF":0.0,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MOF@MOF core-shell hybrid adsorbents with controlled water vapor affinity towards enhanced and steady CO2 capture in moist conditions","authors":"Solomon K. Gebremariam ,&nbsp;Anish Mathai Varghese ,&nbsp;Suresh Kuppireddy ,&nbsp;Yasser Al Wahedi ,&nbsp;Ahmed AlHajaj ,&nbsp;Georgios N. Karanikolos ,&nbsp;Ludovic F. Dumée","doi":"10.1016/j.ccst.2024.100356","DOIUrl":"10.1016/j.ccst.2024.100356","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) are promising adsorbents for CO₂ capture due to their highly tuneable chemical and structural properties. However, most MOFs exhibit a strong affinity for moisture, an ubiquitous component of CO₂-containing mixtures such as flue gas and air, which can lead to a decline in CO₂ capture performance due to competitive adsorption between water vapor and CO₂. This can also increase the energy required for adsorbent regeneration and result in MOF framework decomposition due to the hydrolysis of weak metal-ligand bonds. Therefore, MOFs must possess low water vapor affinity and high CO₂ affinity to be effective in practical CO₂ capture applications. Hybridizing MOFs with other MOFs combines the distinct features of the individual MOF materials and results in unique properties that cannot be achieved by individual components. This study presents a versatile strategy for fabricating novel MOF@MOF core-shell structures with reduced water vapor affinity by <em>in-situ</em> growth of hydrophobic ZIF-8 shells on the surface of hydrophilic HKUST-1 crystals. The resulting core-shell hybrid adsorbent exhibited low moisture affinity, achieving up to a 70% reduction in water vapor adsorption capacity compared to pure HKUST-1. It also demonstrated an IAST CO₂/N₂ selectivity of 41.4 for a binary gas mixture containing 15 vol.% CO₂ and 85 vol.% N₂ at 1 bar and 298 K, which is 73% higher than that of HKUST-1 and 211% higher than that of ZIF-8, due to the presence of the ZIF-8 shell with low N₂ adsorption capacity. The reduced water vapor affinity and excellent CO₂ capture performance, with CO₂ uptake of 2.9 mmol g^-1 at 1 bar and 298 K, of the developed core-shell adsorbent, combined with its cyclability in vacuum swing adsorption (VSA)-based experiments without requiring thermal regeneration, make it promising for practical CO₂ capture applications.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100356"},"PeriodicalIF":0.0,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156851","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CO2 electroreduction to C2 products on bimetallic silver copper melamine complexes","authors":"Munzir H. Suliman ,&nbsp;Muhammad Usman ,&nbsp;Husain Al Naji ,&nbsp;Maryam Abdinejad ,&nbsp;Naimat Ullah ,&nbsp;Aasif Helal ,&nbsp;Mahmoud M. Abdelnaby ,&nbsp;Guillermo Díaz-Sainz ,&nbsp;Gabriele Centi","doi":"10.1016/j.ccst.2024.100355","DOIUrl":"10.1016/j.ccst.2024.100355","url":null,"abstract":"<div><div>Nanocube crystals of bimetallic Ag-Cu-Melamine molecular complexes have been originally developed as effective electrocatalysts for the CO₂ selective reduction to multicarbon products, particularly ethylene and ethanol. The bimetallic complex, containing 10 wt.% Ag demonstrates the highest performance in electro-reduction of CO₂ in both H-type and flow cells. It achieves a Faradaic efficiency of 70 % for C2 products, with 40 % attributed to ethanol and the remaining to ethylene. These results are obtained at a cathode potential of -1.0 V vs reversible hydrogen electrode (RHE) with a total current density of -50 mA·cm^-2 in the flow cell, five times higher current densities than the current densities in the H-Cell. Without Ag in the complex, only C1 products (CO and formic acid) are detected. The use of the flow cell, in addition to higher current densities, enhances C2 formation, especially ethylene, which is absent in H-type cell experiments. These novel electrocatalysts also exhibit stable performances and provide mechanistic indications of the roles of Ag and tandem cooperation with Cu.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100355"},"PeriodicalIF":0.0,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143157355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced CO2 capture via calcium looping with mesoporous ladle furnace stainless steel slag","authors":"Priyanka Kumari ,&nbsp;Farah Kaddah ,&nbsp;Nahla Al Amoodi ,&nbsp;Ahmed AlHajaj ,&nbsp;Ludovic F. Dumée","doi":"10.1016/j.ccst.2024.100354","DOIUrl":"10.1016/j.ccst.2024.100354","url":null,"abstract":"<div><div>CaO-based materials have attracted considerable interest because of their potential roles in thermochemical CO₂ capture via the calcium looping (CaL) process. The steel manufacturing sector inevitably generates substantial amounts of slag as a by-product, posing environmental issues such as soil contamination if left untreated. Despite its abundance and low cost, steel slag, which contains 20–60 % CaO, has not been extensively researched for its potential in the CaL process. This study introduces ladle furnace slag (LFS) as an optimal CaO-rich material for developing mesoporous composites to improve CO₂ sequestration in the CaL process. Using an autoclave reactor/muffle furnace setup, we conducted a parametric investigation on operational variables including reaction time, temperature, pressure, and liquid-solid ratio and determined the kinetics of carbonation/calcination reaction of CaL process. Our findings reveal that the CO₂ capture performance of modified LFS surpassed that of the bare LFS, achieving a CO₂ uptake of 7.55 ± 0.01 g per g of sorbent over 20 cycles. Additionally, the modified LFS exhibited the capability to undergo a minimum of 20 regeneration cycles, reaching steady state after the 15th cycle with minimal variation of 0.01 g per g of sorbent. The enhanced stability was linked mainly due to the presence of ceramics such as Al₂O₃ and Fe₂O₃ in ratios of 1:5 and 1:6.5 respectively, with respect to CaO, achieved through acid etching. Such mineralogical transformation of the modified LFS improved its resistance towards sintering while ensuring 100 % recycling of metals in the LFS. Therefore, this study highlights the sustainable utilization of LFS as a valuable and efficient sorbent for CO₂ capture, showcasing its potential for repurposing in environmental applications.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100354"},"PeriodicalIF":0.0,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156852","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lattice oxygen activity regulation by alkaline earth metals in iron oxides for biomass chemical looping gasification","authors":"Guangyao Yang ,&nbsp;Wenjie Xu ,&nbsp;Jingbo Jia ,&nbsp;Changfu You ,&nbsp;Haiming Wang","doi":"10.1016/j.ccst.2024.100353","DOIUrl":"10.1016/j.ccst.2024.100353","url":null,"abstract":"<div><div>Biomass chemical looping gasification (BCLG) represents a highly promising approach for syngas production. A critical factor in BCLG is the selection of suitable oxygen carriers (OCs) that exhibit both high carbon conversion (η_C) and CO selectivity (S_CO). In this study, iron-based OCs were modified with various alkaline earth metals (AEMs, i.e. Ca, Sr, and Ba) to modulate lattice oxygen activity. The effects of oxygen-to-carbon ratio (O/C), temperature, and cyclic operation on BCLG performance were investigated in a fixed-bed reactor. Among the AEM-modified OCs, Ca1Fe2 (spinel), Sr1Fe1 (perovskite), and Ba1Fe2 (spinel), showed superior performance compared to their Ca, Sr, and Ba-Fe counterparts, respectively. At 900 °C and O/C = 2, the pristine Fe₂O₃ exhibited a η_C of 82 % and S_CO of 53 %. The η_C for Sr1Fe1 and Ba1Fe2 reached &gt;90 % at 900 °C, with S_CO increased to &gt;70 %, resulting in a significantly higher syngas yield (H₂+CO) of &gt;800 mL/g-biomass (vs. 560 for Fe₂O₃). In contrast, the addition of Ca showed a much less pronounced effect. In the cyclic test at 900 °C, Ba1Fe2 showed the poorest stability due to a severe sintering. Sr1Fe1 presented the best stability with a syngas yield of 722 mL/g after 10 cycles. The decrease in the activity of Sr1Fe1 was mainly due to the phase separation of SrFeO_3-x after multiple cycles. Thermodynamically, Sr1Fe1 is favorable for the production of CO instead of CO₂, leading to its intrinsic high selectivity. As demonstrated by ¹⁸O-isotopic exchange and H₂-TPR, the activity of surface lattice oxygen and the diffusivity of bulk lattice oxygen was boosted by Sr addition, which caused the high η_C and S_CO of Sr1Fe1 at the same time. Thus, even at O/C=5, S_CO for Sr1Fe1 reached 64 % with η_C up to 99 %, comparing to the S_CO=31 % and η_C=91 % for Fe₂O₃.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100353"},"PeriodicalIF":0.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143096137","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mixed matrix membrane formation with porous metal–organic nanomaterials for CO2 capture and separation: A critical review","authors":"Claire Welton ,&nbsp;Fan Chen ,&nbsp;Hong-Cai Zhou ,&nbsp;Shouliang Yi","doi":"10.1016/j.ccst.2024.100347","DOIUrl":"10.1016/j.ccst.2024.100347","url":null,"abstract":"<div><div>Due to the increasingly severe global warming trend, the reduction of CO₂ emission and carbon capture have attracted growing interest. The separation of CO₂ from gas mixtures, especially from point source and the atmosphere, is considered as one of the most important strategies for mitigating climate change. Porous metal–organic nanomaterials (PNMs), including metal-organic frameworks (MOFs) and metal-organic polyhedra (MOPs) have been extensively investigated in the fields of carbon capture, catalysts, sensors, biomedical imaging and gas storage. Their inherent pores, diverse surface function groups and potential modification possiblities make them competitive carbon capture materials. This review will introduce detailed scientific and technological advancements in PNMs and explain their fitness for carbon capture and separation, followed by the fabrication and application of mixed matrix membranes (MMMs) with PNMs. The current challenges appreared and solutions to improve the MMMs’ CO₂ separation performance will also be stressed.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100347"},"PeriodicalIF":0.0,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143157459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Outside Back Cover","authors":"","doi":"10.1016/S2772-6568(24)00163-5","DOIUrl":"10.1016/S2772-6568(24)00163-5","url":null,"abstract":"","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"13 ","pages":"Article 100352"},"PeriodicalIF":0.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Oxidative dehydrogenation of ethane to ethylene with CO2 via Mg-Al spinel catalysts: Insight into dehydrogenation mechanism","authors":"Qinglin Du ,&nbsp;Xiaoyu Zhang ,&nbsp;Feng Wang ,&nbsp;Wenqiang Liu","doi":"10.1016/j.ccst.2024.100327","DOIUrl":"10.1016/j.ccst.2024.100327","url":null,"abstract":"<div><div>This study compares the CO₂-assisted oxidative dehydrogenation of ethane (CO₂-ODHE) performance of Mg-Al spinel catalysts doped with various metals (Cr, Fe, Co, Ga) that possess dehydrogenation activity. Both experimental and theoretical analyses were conducted to explore the reaction mechanism of CO₂-ODHE on the spinel catalyst. The findings indicate that the MgFeAlO₄ spinel catalyst exhibited CO₂-ODHE activity at 600 °C, achieving a CO₂ conversion rate of 20.3 %, an ethane conversion rate of 27.9 %, and an ethylene selectivity of 87.9 %. Mechanistic studies revealed that CO₂ activation primarily occurs through the reverse water-gas shift reaction, and density functional theory calculations identified the doped metal ions as the principal active sites for ethane activation. These results suggest that CO₂-ODHE on the spinel surface follows a mechanism of catalytic dehydrogenation coupled with the reverse water-gas shift reaction. Additionally, the effects of Fe doping contents and reaction temperature were investigated. When the ratio of Fe³⁺ to Al³⁺ was 1, corresponding to the MgFeAlO₄ spinel catalyst, the CO₂-ODHE performance was optimal, yielding 23.3 % ethylene. Increasing the reaction temperature enhanced ethane conversion but reduced ethylene selectivity, with both ethane conversion and ethylene selectivity reaching approximately 49 % at 700 °C.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100327"},"PeriodicalIF":0.0,"publicationDate":"2024-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Methane and CO2 consumption from a synthetic waste gas by microbial communities in enriched seawater","authors":"Niels-Ulrik Frigaard ,&nbsp;Stefan Ernst Seemann","doi":"10.1016/j.ccst.2024.100324","DOIUrl":"10.1016/j.ccst.2024.100324","url":null,"abstract":"<div><div>Methane (CH₄) and carbon dioxide (CO₂) are potent greenhouse gases produced as waste in carbon-based fuel processes. This study investigates the use of natural microbial communities to consume CH₄ and CO₂ and convert these gases into biomass. Seawater enriched with nutrients was exposed to a gas stream containing CH₄ and CO₂ under either light or dark conditions. The microbial communities that developed included methanotrophic bacteria consuming CH₄ and cyanobacteria and microalgae consuming CO₂. Chemotaxonomic markers showed that phototrophic growth increased significantly only in the light, with an early dominance by cyanobacteria later overtaken by microalgae, while methanotrophic growth increased significantly only in the dark. Near-full-length 16S and 18S rRNA gene sequencing using Nanopore technology revealed that the microbial diversity in the incubated cultures was significantly reduced compared to the natural communities in the seawater used as inoculum. The most abundant phototrophs in the light-incubated cultures were green algae from the genera <em>Picochlorum, Tetraselmis, Chlamydomonas</em>, and <em>Nannochloris</em>, and a few cyanobacterial genera mostly from Cyanobacteriales and Synechococcales (SILVA taxonomy). <em>Methylomicrobium</em> and <em>Methylobacter</em> were the most abundant methanotrophs in the dark-incubated cultures, whereas <em>Methylomonas methanica</em> was the only methanotroph with notable abundance under light conditions. Methanol-oxidizing <em>Methylophaga</em> were also highly abundant in dark-incubated cultures suggesting that these organisms were also important carbon-oxidizers in the CH₄ consuming microbiomes. We conclude that optimal CH₄ and CO₂ consumption may require separating dark-dependent CH₄ and light-dependent CO₂ consuming microbiomes, or identifying symbiotic co-cultures of methanotrophs that are compatible with the light conditions needed by phototrophs. This research highlights potential microbial candidates for reducing the climate impact of flare gas and other waste gases containing CH₄ and CO₂.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100324"},"PeriodicalIF":0.0,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142697143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single-component and binary H2O and CO2 co-adsorption isotherm model on amine-functionalised Mg-Al mixed metal oxides","authors":"Zhuozhen Gan ,&nbsp;Qingyang Shao ,&nbsp;Bingyao Ge ,&nbsp;Qiang Wang ,&nbsp;Xuancan Zhu","doi":"10.1016/j.ccst.2024.100328","DOIUrl":"10.1016/j.ccst.2024.100328","url":null,"abstract":"<div><div>Development of amine-functionalised CO₂ adsorbents for negative emissions is a popular research topic in the field of direct air capture (DAC). While most studies aim to improve the adsorption capacities of DAC adsorbents, it is imperative to accurately model the DAC process to understand its roles and reduce operating costs. To this end, a comprehensive understanding and systematic modelling of the adsorption behaviour of amine-functionalised materials is essential. This includes examining the effect of H₂O on CO₂ adsorption under air conditions and desorption by steam purging. In this study, a fundamental analysis of single-component and binary H₂O and CO₂ adsorption by amine-functionalised Mg-Al mixed metal oxides (MMOs) was performed. Single-component H₂O and CO₂ adsorption experimental data were obtained using Guggenheim Anderson De Boer and modified Sips models, respectively. To fit the CO₂ uptake at different temperatures (25–75 °C), CO₂ isotherm models take into account both thermodynamic and diffusive factors. Subsequently, a novel mechanistic H₂O and CO₂ co-adsorption isotherm model is developed and calibrated with the breakthrough experiments. The mechanistic co-adsorption isotherm model captured the improvement in the equilibrium CO₂ capacity in the presence of H₂O. Moreover, the co-adsorption model considers the synergistic effects of H₂O and heat. Overall, the proposed isotherm models are expected to be useful in modelling DAC processes based on novel amine-functionalised adsorbents under complex conditions and ultimately guiding DAC process design and optimisation.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"14 ","pages":"Article 100328"},"PeriodicalIF":0.0,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142697772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}