Carbon Capture Science & Technology最新文献

{"title":"Fast pyrolysis of biomass with diverse properties to produce liquid hydrogen storage molecules","authors":"Wensheng Xie ,&nbsp;Yutao Zhang ,&nbsp;Yeshui Zhang ,&nbsp;Chuanqun Liu ,&nbsp;Yinxiang Wang ,&nbsp;Yuanbo Xie ,&nbsp;Guozhao Ji ,&nbsp;Aimin Li","doi":"10.1016/j.ccst.2024.100230","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100230","url":null,"abstract":"<div><p>Liquid organic hydrogen carriers (LOHCs), such as methanol and formic acid, offer a reliable solution for the challenges associated with transporting and storing gaseous hydrogen. However, the current industrial LOHCs are costly and in limited supply due to complex synthesis methods involving gasification and Fischer-Tropsch synthesis. An alternative approach utilizing efficient pyrolysis methods can convert biomass into substances that mimic LOHCs, making them a promising avenue for hydrogen storage. Compounds with a high hydrogen content, including glycolaldehyde, acetic acid, and acetol, hold potential as effective LOHCs. This study seeks to assess how the specific properties of biomass impact the resulting products and target molecules, focusing on identifying the primary sources of LOHC compounds. The experimental results indicate that glycolaldehyde primarily originates from cellulose, while acetic acid is mainly derived from hemicellulose. Acetol is produced from both cellulose and hemicellulose. At a pyrolysis temperature of 500 °C and a particle size of 0.38–0.83 mm, corn cob yields a higher quantity of glycolaldehyde, acetic acid, and acetol (107 mg/g) compared to rice husk (85.6 mg/g) and pine (68.9 mg/g) due to its significant cellulose and hemicellulose content. Notably, the primary sources of these hydrogen storage molecules during pyrolysis are the initial biomass pyrolysis products rather than secondary reactions.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000423/pdfft?md5=f1691c8da196ec0a5f0577bf76d8a19c&pid=1-s2.0-S2772656824000423-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141244230","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":"Modeling and response surface methodology optimization of reaction parameters for aqueous mineral carbonation by steel slag","authors":"Zhenhao Wang,&nbsp;Chuanwen Zhao,&nbsp;Pu Huang,&nbsp;Yuxuan Zhang,&nbsp;Jian Sun","doi":"10.1016/j.ccst.2024.100229","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100229","url":null,"abstract":"<div><p>CO₂ sequestration via mineralization of steel slag has received widespread attention due to its ability to achieve in-situ CO₂ sequestration in steel industries and high-value utilization of steel slag. The final CO₂ sequestration capacity of steel slag is closely related to the reaction parameters (i.e., reaction duration, reaction temperature, CO₂vol concentration, and liquid-solid ratios) of mineralization. The reaction parameters may have synergistic effects on the ability of steel slag to sequestrate CO₂. Therefore, the single-factor (one-factor-at-a-time) experimental strategy can't obtain optimal process parameters. Herein, response surface methodology and the Box-Behnken Design were employed in determining optimal conditions. It is found that the combined effects of CO₂ concentration in combination with reaction temperature and liquid-solid ratio significantly influence the sequestration process (<em>P</em> = 0.0082 and <em>P</em> &lt; 0.0001, respectively). Conversely, the combined effects of reaction duration with liquid-solid ratio and CO₂ concentration were found to be less significant (<em>P</em> = 0.6905 and <em>P</em> = 0.6114, respectively). The reasons behind this observation can be ascribed to the focus of this research on the later stages of the reaction, during which it proceeds smoothly. Additionally, alterations in temperature, liquid-solid ratio, and CO₂ concentration not only affect the initial pH, CO₂ dissolution rate and quantity, and reaction kinetics but also alter the patterns of their collective impact on CO₂ sequestration. The CO₂ capture could reach 179.1 g-CO₂/kg-steel slag at the optimal condition (i.e., 56.14 °C reaction temperature, 6.66 ml/g liquid-solid ratio, 44.53 wt.% CO₂ concentration, and 286.73 mins reaction time), compared to single-factor stepwise optimization, which improves by about 9.84 %. Implementing this optimized mineralization process could enable the Chinese steel industry to capture an estimated 27.4 million tons of CO₂ annually, based on an annual production of 153 million tons of steel slag.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000411/pdfft?md5=e14c2c6461212db4c69f054be388f3ec&pid=1-s2.0-S2772656824000411-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141242248","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":"Continuous CO synthesis from ambient air by integrating direct air capture and direct carbonate reduction using an alkaline CO2-absorbing electrolyte operating at room temperature","authors":"Yoshiyuki Sakamoto ,&nbsp;Yusaku Nishimura ,&nbsp;Yohsuke Mizutani ,&nbsp;Shintaro Mizuno ,&nbsp;Ryo Hishinuma ,&nbsp;Kazumasa Okamura ,&nbsp;Yasuhiko Takeda ,&nbsp;Masaoki Iwasaki","doi":"10.1016/j.ccst.2024.100225","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100225","url":null,"abstract":"<div><p>We constructed an integrated system comprising direct air capture (DAC) and direct carbonate reduction (DCR) to facilitate the industrial implementation of negative CO₂ emissions. The DAC-DCR system demonstrated continuous CO synthesis from ambient air at room temperature, in contrast to conventional methods, including high-temperature processes and previously reported a batch-type method that connect DAC and DCR. The CO₂-absorbing electrolyte, a K₂CO₃-KHCO₃ aqueous solution, is circulated between the DAC and DCR subsystems. The CO₂ captured from the air with the CO₂-absorbing electrolyte is converted to carbonate in the DAC; subsequently, the carbonate is electrochemically reduced to CO in the DCR. This system monitored the CO₂ capture rate, carbonate reduction rate, and pH of the CO₂-absorbing electrolyte in real time. Controlling the carbonate reduction rate by adjusting the DCR reactor current enabled the balancing of carbon capture and carbonate reduction rates. Consequently, stable and continuous operation of a DAC-DCR system was achieved for over one hour for the first time. The DAC-DCR is more suitable for combination with intermittent renewable electricity, including photovoltaic and wind electricity, than the previous methods because all the processes in the system work at room temperature. Thus, the present proof-of-concept study is an important step toward the widespread use of DAC.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S277265682400037X/pdfft?md5=5c474985842463abe65588a22072ccf8&pid=1-s2.0-S277265682400037X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141095947","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 transfer hydrogenation of 2-heptanone to 2-heptanol over synergistic Co/ZnO catalysts","authors":"Dongpei Zhang ,&nbsp;Jiefeng Liu ,&nbsp;Sicheng Shao ,&nbsp;Quanxing Zhang ,&nbsp;Mengyuan Liu ,&nbsp;Yuangao Wang ,&nbsp;Mingyu Ma ,&nbsp;Ning Cao ,&nbsp;Guangyu Zhang ,&nbsp;Jinyao Wang ,&nbsp;Junwei Yang ,&nbsp;Wenjuan Yan ,&nbsp;Xin Jin ,&nbsp;Chaohe Yang","doi":"10.1016/j.ccst.2024.100227","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100227","url":null,"abstract":"<div><p>2-Heptanol is an important secondary alcohol, applied in food, pharmaceutical and plastic industries. However, current industrial synthetic methods require energy intensive hydrogenation of 2-heptanone using homogeneous noble catalysts in alkaline medium. In this work, we presented a systematic study on enhanced transfer hydrogenation of 2-heptanone to 2-heptanol using non-noble Co/ZnO catalysts without alkaline promoters. The strong synergism of Co and ZnO contributes to formation of amorphous metallic Co species and electronically reconfigured CoO species, leading to a 20-fold activity enhancement at 180 °C and a TOF of 89.4 h⁻¹ over Co_0.09/ZnO-500 catalysts. Structure-dependency studies further revealed that, the lattice strain between Co and ZnO induced the generation of multi-phased Co/CoO/Co:ZnO interfaces, facilitating tandem H₂ generation, spillover and activation of C=O bond (of 2-heptanone molecule), respectively. The insights of molecular catalysis on interface of amorphous Co/ZnO for enhanced C=O bond activation, provide fundamental understanding for transfer hydrogenation of various other ketones into valuable alcohols.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000393/pdfft?md5=4b16e9ac069b6cc58c07afb18a42cb1a&pid=1-s2.0-S2772656824000393-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141089832","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":"Lab-scale pilot for CO2 capture vacuum pressure swing adsorption: MIL-160(Al) vs zeolite 13X","authors":"A. Henrotin ,&nbsp;N. Heymans ,&nbsp;M.E. Duprez ,&nbsp;G. Mouchaham ,&nbsp;C. Serre ,&nbsp;D. Wong ,&nbsp;R. Robinson ,&nbsp;D. Mulrooney ,&nbsp;J. Casaban ,&nbsp;G. De Weireld","doi":"10.1016/j.ccst.2024.100224","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100224","url":null,"abstract":"<div><p>Carbon capture is among the key technologies to quickly reduce anthropogenic CO₂ emissions to a net zero emission by 2050. Among the different separation technologies, adsorption is one of the most promising. Several Vacuum and/or Pressure Swing Adsorption cycles have been developed and tested for CO₂ capture using mainly zeolite 13X. Metal organic frameworks, due to their exceptional tunability, can improve the performance of adsorption processes. Nevertheless, there is a lack of experimental results for these materials at pilot scale. To address this gap, a versatile VPSA lab-scale pilot (3 columns of 1.1 L) has been developed to evaluate adsorbents at kilogram scale for CO₂ capture in various adsorption process configurations. The metal organic framework MIL 160(Al), synthesized and shaped at 60 kg, was also studied on this installation and compared to zeolite 13X with a 3-bed 6-step VPSA cycle for the separation of a 15/85 %vol of CO₂/N₂ mixture between 0.1 and 2 bar. Results obtained reveal purity of 90 % and recovery of 92.7 % for the MIL-160(Al) while zeolite 13X only reaches 79.7 % of purity and 85 % of recovery, proving the efficiency of this material for CO₂ capture. These results contradict conventional indicators and demonstrate the importance of testing a material in VPSA cycle at kg scale to fully assess its performance.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000368/pdfft?md5=ff6a456aea51f0f852e42337f67d4010&pid=1-s2.0-S2772656824000368-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141066834","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":"The role of water vapour on CO2 mobility on calcite surface during carbonation process for calcium looping: A DFT study","authors":"Jianrui Zha ,&nbsp;Yongliang Yan ,&nbsp;Peiyong Ma ,&nbsp;Yaji Huang ,&nbsp;Fenglei Qi ,&nbsp;Xiaohao Liu ,&nbsp;Rui Diao ,&nbsp;Dongxu Yan","doi":"10.1016/j.ccst.2024.100226","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100226","url":null,"abstract":"<div><p>The presence of water vapour has been proven to stimulate carbonation for the calcium looping process, while its effect mechanism during the slow reaction stage still lacks insight understanding at the atomic level, where H₂O molecules may interact with the product layer to affect the transportation of CO₂. This study tried to reveal the role of water vapour on CO₂ mobility on the calcite surface through density functional theoretical (DFT) calculation. H₂O molecule has higher adherence to calcite surface than CO₂, and it can react with CO₃ to generate HCO₃⁻ and OH⁻ ions. Then, the formed OH⁻ ion above the surface layer can adsorb CO₂. Moreover, H₂O can also react with O²⁻ defect to form OH⁻ ions, and the OH ion at the deeper position can still adsorb CO₂ through a two-step process with remarkable energy barriers. However, the formation of HCO₃⁻ can degrade the energy barriers to CO₂ release from the calcite surface, owning to the weaker C<img>O bond. Two directions of CO₂ movement between anions were involved in this investigation, including crossing through the surface layer to the second layer and the movement inside the surface layer, where the higher mobility of CO₂ from HCO₃⁻ to O²⁻ ion occurs in both movement directions. For the case inside the surface layer, the movement from O²⁻ ion to HCO₃⁻ has a higher energy barrier, indicating that the stimulation by H₂O is a one-way effect, and the enhancement by H₂O for CO₂ mobility is caused by the reaction with CO₃²⁻ other than O²⁻ ion.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000381/pdfft?md5=686cc2b5084a22622f5188205b6a203b&pid=1-s2.0-S2772656824000381-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141066835","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":"A review of atmospheric carbon dioxide sequestration pathways; processes and current status in Nigeria","authors":"Osmond I. Nwali ,&nbsp;Micheal A. Oladunjoye ,&nbsp;Olatunbosun A. Alao","doi":"10.1016/j.ccst.2024.100208","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100208","url":null,"abstract":"<div><p>Increased world energy demand due to population and rapid technological growth, and urbanisation has induced climatic change through increased atmospheric greenhouse gas (GHG) concentration, of which the atmospheric Carbon Dioxide Removal (CDR) strategies have been identified as the pertinent pathway towards the reduction of this GHG. These CDRs serve as an adaptation and mitigation approach to abate the impacts of climate change. Different CDR strategies are encapsulated in the term Carbon sequestration, describing natural and technological approaches by which carbon dioxide (CO₂) is removed from the atmosphere. Technologically, Carbon Capture Use and Storage (CCUS) is a CDR strategy that encompasses both carbon capture and storage (CSS) and carbon capture and utilisation (CCU) technologies. Its developmental pathways and implementation depend on understanding the natural carbon source and sink contained in the natural carbon cycle and CO₂ capture technology. CCS technologies capture CO₂ from large point sources, mainly power plants and industrial processes and store it in underground geological formations that include the deep saline aquifer, depleted oil and gas reservoirs, unminable coal seams and oceanic basaltic formations. The captured CO₂ is also stored through in-situ mineral carbonation and direct ocean injection. Other processes that enhance CO₂ removal include ocean fertilisation, ocean alkalinity enhancement and marine/terrestrial photosynthetic conversion, which stores CO₂ in the pedosphere or surface ocean relative to natural carbon sequestration. CCU is a CCS complimentary technology that converts the captured CO₂ into value-added products through CO₂- ex-situ mineralization, value-added storage (enhanced oil/gas recovery, enhanced geothermal system, and enhanced coalbed/shale gas recovery) and CO₂- chemical feedstock and biofuels. At present, there is no CCUS project in Nigeria. However, different preliminary site characterisation studies have been carried out for CCUS project development, which is being delayed by a lack of funding, robust policies, and public awareness.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000204/pdfft?md5=e892b8ea03434adb5d00049cddb93a9c&pid=1-s2.0-S2772656824000204-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140947275","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":"Fabrication of NiFe-LDH/MoS2 2D/2D material to construct direct Z-scheme heterojunction for enhanced CO2 photocatalytic reduction under visible light irradiation","authors":"Lei Zhou ,&nbsp;Jie Xu ,&nbsp;Siyi Wei ,&nbsp;Lei Liu ,&nbsp;Zijian Zhou ,&nbsp;Xiaowei Liu","doi":"10.1016/j.ccst.2024.100223","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100223","url":null,"abstract":"<div><p>In recent years, the utilization of solar energy for conversion of CO₂ into fuels has emerged as a promising strategy for mitigating the Greenhouse effect. However, transport efficiency of photogenerated carriers plays a crucial role in determining the efficacy of CO₂ photocatalytic reaction. In this paper, a 2D/2D composite material consisting of NiFe-LDH/MoS₂, presenting high efficiency in separating photogenerated electron-hole pairs, has been successfully synthesized using a straightforward hydrothermal method. XRD, XPS, FTIR and other characterization results proved that the composite was successfully prepared, and its unique direct Z-scheme heterostructure improved the efficiency of CO₂ photocatalytic reduction effectively. The composite material NiFe-LDH/MoS₂ demonstrated enhanced rate of photo-induced electron-hole pair separation comparing with pure NiFe-LDH. Apart from this, the charge transfer resistance was reduced simultaneously, the composite material exhibited perfect photocatalytic activity. In photocatalytic reduction reaction experiment, CO yield of NiFe-LDH/MoS₂ can reach 10.72 μmol/g, which is 3.93-fold and 4.17-fold that of bare NiFe-LDH and MoS₂. The cyclic test also shows that the catalyst has good stability under visible light irradiation.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000356/pdfft?md5=7716fc2fed2951f639e90a3a1383457d&pid=1-s2.0-S2772656824000356-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140901187","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":"Accelerated carbonation of steel slag for enhanced carbon capture and utilization as aggregate in alkali-activated materials","authors":"Eduardo A.P. Dias ,&nbsp;Adriano G.S. Azevedo ,&nbsp;Holmer Savastano Junior ,&nbsp;Paulo H.R. Borges","doi":"10.1016/j.ccst.2024.100219","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100219","url":null,"abstract":"<div><p>Accelerated carbonation of Ca- and Mg-rich solid wastes is a transformative method to control CO₂ emissions and eliminate waste and by-products, such as basic oxygen furnace slag (BOFS). This technology is considered a feasible method to limit volumetric instability and bring economic and environmental value to BOFS aggregates. This study evaluated the effect of pre-treatment carbonation conditions (temperature, moisture conditions and CO₂ pressure) of BOFS subsequently used as aggregates for alkali-activated mortars. The mechanical, physical and microstructural properties of alkali-activated mortars containing 100 % BOFS aggregates carbonated from different conditions were assessed. The results showed that the carbonation process of BOFS aggregates is mainly influenced by its moist conditions, followed by the CO₂ pressure. In general, carbonated BOFS aggregates present after the pre-treatment a rougher surface characterized by a higher specific surface area, which improves the bonding between the matrix and aggregate, with consequent improvements in the mechanical properties of the alkali-activated mortars.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000319/pdfft?md5=a185751a4b7774a3896e18db460e1152&pid=1-s2.0-S2772656824000319-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140637914","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":"Multi-molar absorption of CO2 by a novel dual-functionalized ionic liquid solution: Experimental and DFT mechanistic study","authors":"Jing Ma ,&nbsp;Yamei Zhou ,&nbsp;Meizhe Liu ,&nbsp;Yaxuan Du ,&nbsp;Xiejun Wang ,&nbsp;Baohe Wang ,&nbsp;Mingxuan Zhu ,&nbsp;Jing Zhu","doi":"10.1016/j.ccst.2024.100222","DOIUrl":"https://doi.org/10.1016/j.ccst.2024.100222","url":null,"abstract":"<div><p>Viscosity and absorption capacity are the main indexes to evaluate functionalized ionic liquids. Based on the precise design strategy of both anion and cation absorption, a dual-functionalized protic IL diethylenetriamine methylurea ([DETAH][MEUR]) for trapping CO₂ was successfully synthesized. The absorption and regeneration properties of the ILs solution were tested, and the changes in the physical properties of ILs before and after CO₂ absorption were compared. The experimental results showed that the [DETAH][MEUR] solution had relatively low viscosity, excellent absorption property with 2.05 mol CO₂/mol IL at 40 °C and 0.5 mol/L concentration, and its regeneration efficiencies still kept above 90.09 % after five cycles. In addition, the mechanism of the absorption reaction was explored by combining Fourier transform infrared (FT-IR) spectroscopy, carbon nuclear magnetic resonance (¹³C NMR) spectroscopy, and density functional theory (DFT) calculation methods. It shows that in [DETAH][MEUR] solution, the N atom losing proton (-NH) in the anion is the main absorption site, and the primary amine (-NH₂) in the protonated cation [DETAH]⁺ of secondary amine is used as an auxiliary cooperative trapping CO₂. Hopefully, this work can provide a new way for the research and development of green CO₂ absorbents.</p></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772656824000344/pdfft?md5=9f9b5fd18acc0760a41d852b4ff9e91c&pid=1-s2.0-S2772656824000344-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140619441","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}