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Study on interfacial tension in confined spaces using the extended Patel-Teja equation of state 基于扩展Patel-Teja状态方程的受限空间界面张力研究
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-09-29 DOI: 10.1016/j.supflu.2025.106797
Heng Bai, Zhan Meng
In confined spaces, the molecule-wall interactions and the strong confinement effect in nanopores lead to a significant deviation in the interfacial tension of confined fluids from that of unconfined fluids. This makes it difficult for classical equations of state to achieve accurate predictions. To address this issue, this study modified the classical cubic Patel-Teja equation of state (EOS) and established an extended Patel-Teja EOS suitable for confined spaces. Firstly, a new pressure term was introduced to characterize the influence of molecule-wall interactions. Secondly, based on experimental and molecular simulation data, a dimensionless correlation for critical property shifts was derived to describe the shift of critical properties in confined spaces. Finally, the capillary pressure effect in confined spaces was considered in the calculation of interfacial tension. Comparison with experimental data or literature data verifies that the extended Patel-Teja EOS exhibits high accuracy when calculating the interfacial tension in confined spaces. It can be used to analyze the influence of temperature, pressure and nanopore size on the interfacial tension of pure substances and binary mixtures. In the CO2-CH4 system, with the increase of pore radius, the growth rate of interfacial tension is 2.25 % in the range of 5 nm to 100 nm. From 100 nm to 1000 nm, the growth rate of interfacial tension is only 0.01 %, and finally it gradually approaches the interfacial tension in unconfined spaces. The study can provide theoretical support for the fluid interfacial behavior in processes such as oil and gas exploitation.
在密闭空间中,分子-壁面相互作用和纳米孔内的强约束效应导致密闭流体的界面张力与非密闭流体的界面张力存在显著偏差。这使得经典状态方程难以实现准确的预测。为了解决这一问题,本文对经典的三次Patel-Teja状态方程(EOS)进行了修正,建立了一个适用于受限空间的扩展的Patel-Teja状态方程。首先,引入一个新的压力项来表征分子-壁相互作用的影响。其次,基于实验和分子模拟数据,导出了临界性质位移的无量纲相关性,以描述密闭空间中临界性质的位移。最后,在计算界面张力时考虑了密闭空间中的毛细压力效应。与实验数据或文献数据的对比验证了扩展的Patel-Teja EOS在计算密闭空间界面张力时具有较高的精度。它可以用来分析温度、压力和纳米孔尺寸对纯物质和二元混合物界面张力的影响。在CO2-CH4体系中,随着孔半径的增大,界面张力在5 ~ 100 nm范围内的增长率为2.25 %。从100 nm到1000 nm,界面张力的增长率仅为0.01 %,最终逐渐接近无约束空间中的界面张力。该研究可为油气开发过程中的流体界面行为提供理论支持。
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引用次数: 0
Transfer hydrodechlorination of chlorobenzene in supercritical isopropanol using monometallic and bimetallic catalysts obtained by precipitation in a supercritical CO2 用超临界CO2沉淀得到的单金属和双金属催化剂对超临界异丙醇中氯苯进行转移加氢脱氯
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-11-20 DOI: 10.1016/j.supflu.2025.106846
A.S. Romanov, N.S. Nesterov, V.P. Pakharukova, D.E. Nasokhov, O.A. Ukhterova, O.N. Martyanov
Monometallic (Ni-, Co-, Cu-, and Fe-containing, Me25/Al2O3) and bimetallic (NixCo(50-x)/Al2O3) catalysts were synthesized via precipitation in supercritical carbon dioxide. The catalytic activity of these systems was evaluated in the transfer hydrodechlorination of chlorobenzene, employing supercritical isopropanol as a hydrogen donor, at temperatures ranging from 250 °C to 275 °C. The hydrodechlorination rates for monometallic catalysts followed the order: Ni25/Al2O3 > Co25/Al2O3 > Cu25/Al2O3 > > Fe25/Al2O3. For bimetallic catalysts (NixCo(50-x)/Al2O3), the hydrodechlorination rate increased with increasing nickel content. It was observed that significant coarsening of metal particle crystallites occurred during hydrodechlorination; however, this phenomenon did not demonstrably affect catalyst activity.
采用超临界二氧化碳沉淀法合成了单金属(含Ni、Co、Cu和fe, Me25/Al2O3)和双金属(NixCo(50-x)/Al2O3)催化剂。在250 ~ 275℃的温度范围内,以超临界异丙醇为氢供体,评价了这些体系在氯苯转移加氢脱氯反应中的催化活性。单金属催化剂的加氢脱氯速率顺序为:Ni25/Al2O3 >; Co25/Al2O3 >; Cu25/Al2O3 >; > Fe25/Al2O3。对于双金属催化剂(NixCo(50-x)/Al2O3),随着镍含量的增加,加氢脱氯速率增加。结果表明,在加氢脱氯过程中,金属颗粒晶粒明显变粗;然而,这种现象并没有明显影响催化剂的活性。
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引用次数: 0
1-butanol adsorption on activated carbon in supercritical CO2: Experimental measurements and thermodynamic modeling 超临界CO2中1-丁醇在活性炭上的吸附:实验测量和热力学模型
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-03 DOI: 10.1016/j.supflu.2025.106802
Daichi Imai, Ikuo Ushiki
This study presents the first investigation of the equilibrium adsorption of 1-butanol on activated carbon in a supercritical CO2 environment, covering a temperature range of 313 K to 353 K and pressures from 10.0 MPa to 20.0 MPa. A fixed-bed column setup, combined with flame ionization detection, enabled the accurate quantification of equilibrium adsorption in supercritical CO2. The Dubinin–Astakhov (DA) equation was used to model the equilibrium data and derive physically meaningful parameters: EVOC (interaction energy between VOC and adsorbent) and W0,VOC (saturated adsorption volume). Among the alcohol-based VOCs tested, 1-butanol consistently showed the strongest affinity for the activated carbon surface, due to its molecular structure and lower volatility. In addition to confirming common trends such as the effect of CO2 density on adsorption capacity, this study uniquely shows that adsorption energy increases systematically with VOC molecular size, and that saturated adsorption volume is inversely related to saturated fugacity of VOCs. These findings offer a new thermodynamic perspective that links microscopic molecular properties to macroscopic adsorption behavior, thereby enhancing our understanding of VOC adsorption under supercritical CO2 conditions.
本研究首次研究了1-丁醇在超临界CO2环境下的平衡吸附,温度范围为313 K至353 K,压力范围为10.0 MPa至20.0 MPa。固定床柱装置,结合火焰电离检测,可以准确定量超临界CO2中的平衡吸附。利用Dubinin-Astakhov (DA)方程对平衡数据进行建模,得到具有物理意义的参数:EVOC (VOC与吸附剂的相互作用能)和W0,VOC(饱和吸附体积)。在测试的醇基挥发性有机化合物中,由于其分子结构和较低的挥发性,1-丁醇始终表现出对活性炭表面最强的亲和力。除了确认CO2密度对吸附容量的影响等共同趋势外,本研究还独特地表明,吸附能随着VOC分子大小的增加而系统地增加,饱和吸附体积与VOCs的饱和逸度呈负相关。这些发现提供了一个新的热力学视角,将微观分子性质与宏观吸附行为联系起来,从而增强了我们对超临界CO2条件下VOC吸附的理解。
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引用次数: 0
Microstructure and corrosion of cold-sprayed/laser-remelted TC4 coatings on 316 L SS in oxygenated NaCl-containing super/subcritical water 316 L SS表面冷喷涂/激光重熔TC4涂层在含氧超/亚临界水中的组织与腐蚀
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-11 DOI: 10.1016/j.supflu.2025.106804
Jiawei Zhao , Lifeng Yang , Feiyu Chen , Wendeng Jiang , Mian Hu , Zhongting Hu , Zhiyan Pan , Junliang Wang
316 L stainless steel (316 L SS) is an important candidate material for super/subcritical water oxidation facilities; however, corrosion negatively affects its service life, especially in the presence of halogen ions such as chlorine. In this work, Ti-6Al-4V (TC4) coatings were deposited on 316 L SS substrates by cold spraying (CS) and subsequently remelted by laser remelting (LR). The corrosion resistance of the coatings was evaluated in subcritical (260 °C, 15.7 MPa) and supercritical (380 °C, 22.3 MPa) water containing 3.5 wt% NaCl and 3.0 wt% H2O2 for up to 300 h. Scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDS) analysis revealed that LR effectively densified the coating surface and enhanced its structural integrity. Corrosion assessments based on weight change, SEM, EDS, and X-ray computed tomography (CT) indicated that the TC4 coating significantly improved the corrosion resistance of 316 L SS by inhibiting the outward diffusion of metallic elements and the inward diffusion of oxygen. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses showed that the oxide film formed on the TC4 coating consisted mainly of Ti, Al, Fe, and Cr oxides, and the inhibition effect of the coating on the matrix elements varied after different treatment processes. In particular, the 0.6 mm laser-enhanced coating has a lower corrosion weight change, a more uniform and dense corrosion surface, and a better inhibition. The combination of CS and LR is demonstrated to be an effective approach for enhancing the corrosion resistance of 316 L SS, showing great potential for application in super/subcritical water oxidation reactors.
316 L不锈钢(316 L SS)是超/亚临界水氧化设施的重要候选材料;然而,腐蚀会对其使用寿命产生负面影响,特别是在氯等卤素离子存在的情况下。采用冷喷涂(CS)技术在316 L SS基板上沉积Ti-6Al-4V (TC4)涂层,然后采用激光重熔(LR)技术进行重熔。在含3.5 wt% NaCl和3.0 wt% H2O2的亚临界水(260°C, 15.7 MPa)和超临界水(380°C, 22.3 MPa)中对涂层的耐蚀性进行了测试,测试时间为300 h。扫描电镜/能谱分析(SEM/EDS)表明,LR有效致密化了涂层表面,增强了涂层的结构完整性。基于重量变化、SEM、EDS和x射线计算机断层扫描(CT)的腐蚀评估表明,TC4涂层通过抑制金属元素的向外扩散和氧的向内扩散,显著提高了316 L SS的耐蚀性。x射线衍射(XRD)和x射线光电子能谱(XPS)分析表明,TC4涂层上形成的氧化膜主要由Ti、Al、Fe和Cr氧化物组成,不同处理工艺对基体元素的抑制效果不同。特别是0.6 mm激光增强涂层的腐蚀重量变化更小,腐蚀表面更均匀致密,缓蚀性更好。CS和LR的结合是提高316 L SS耐腐蚀性能的有效途径,在超/亚临界水氧化反应器中具有很大的应用潜力。
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引用次数: 0
Metals recovery by supercritical CO2 processes: A focus on Li-ion battery metals extraction 超临界CO2工艺回收金属:锂离子电池金属提取的重点
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-09-26 DOI: 10.1016/j.supflu.2025.106794
Joshua Vauloup , Rakhi Mondal , Cécile Bouilhac , Moulay Tahar Sougrati , Lorenzo Stievano , Nicolas Coppey , Laure Monconduit , Patrick Lacroix-Desmazes
As the demand for lithium-ion batteries (LIBs) continues to rise, recycling becomes essential to ensure a sustainable supply of critical raw materials while mitigating environmental impact. The European Union (EU) has set ambitious LIB recycling targets, emphasizing the need for innovative and cost-effective solutions. Although pyrometallurgical and hydrometallurgical processes currently dominate, emerging technologies such as supercritical carbon dioxide (scCO2)-based extraction offer promising alternatives. Continued research and investment in LIB recycling infrastructures are crucial to supporting the energy transition and securing raw material independence in the coming decades. This review begins with a general overview of LIBs, their end-of-life processes, and the market and geopolitical context of LIBs and electric vehicles (EVs). It then briefly presents the interactions between CO₂ and solutes, which play a key role in determining the solubility of substances in scCO₂. In the following, the current and potential uses of scCO₂ in the field of LIBs are reviewed, with particular attention to the extraction of metal, which represents a crucial and promising application of this green technology. This focus highlights the unique features and specific challenges associated with metal recovery using scCO₂. The main parameters influencing metal extraction, such as pressure, temperature, co-solvents, and complexing agents, are discussed. Finally, recent advances in the extraction of the metals contained in cathode active materials using scCO₂ are presented.
随着对锂离子电池(lib)的需求持续上升,回收利用对于确保关键原材料的可持续供应,同时减轻对环境的影响变得至关重要。欧盟制定了雄心勃勃的LIB回收目标,强调需要创新和具有成本效益的解决方案。虽然火法冶金和湿法冶金目前占主导地位,但新兴技术,如超临界二氧化碳(scCO2)萃取技术,提供了有前途的替代方案。对LIB回收基础设施的持续研究和投资对于支持未来几十年的能源转型和确保原材料独立至关重要。本文首先概述了lib的总体概况,它们的寿命终止过程,以及lib和电动汽车(ev)的市场和地缘政治背景。然后简要介绍了CO₂与溶质之间的相互作用,这些相互作用在决定物质在CO₂中的溶解度方面起着关键作用。下面,综述了scCO₂在lib领域的当前和潜在用途,特别关注金属的提取,这是这项绿色技术的关键和有前途的应用。这一重点突出了使用scCO₂回收金属的独特功能和具体挑战。讨论了影响金属萃取的主要参数,如压力、温度、助溶剂和络合剂。最后介绍了利用scCO₂萃取正极活性材料中所含金属的最新进展。
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引用次数: 0
Sustainable delamination of multilayer plastic films for advanced recycling 多层塑料薄膜的可持续分层,用于高级回收
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-11 DOI: 10.1016/j.supflu.2025.106813
Ramiro J. Olmos-Greco , Eduardo Pérez , Lourdes Calvo , Albertina Cabañas
A novel delamination process for multilayer plastic films using supercritical CO₂ is proposed as a sustainable alternative to facilitate their recycling. The method involves exposing the films to pure CO2 or CO2 modified with a small amount of cosolvent under mild conditions (40–80 ºC, up to 200 bar), followed by rapid depressurisation. As proof of concept, the delamination of three commercial films used in food packaging is presented. The starting material and the delaminated layers were analysed by ATR-FTIR, TGA, DSC and SEM microscopy. Multilayer polymer films formed by polyethylene (PE) and polyethylene terephthalate (PET) or PE and Machine Directed Oriented PE (MDO-PE) prepared with polyurethane adhesive (PU) were delaminated at the PET/PU and MDO-PE/PU interfaces. Furthermore, PolyAl from an aseptic beverage carton delaminated partially, releasing a thin PE layer and an aluminium-enriched PolyAl composite. DMSO and methanol showed the highest delamination efficiency among the cosolvents, while acetone and water were ineffective under the conditions studied. A multiple mechanism for the process is proposed: (1) mechanical stress due to CO₂-induced polymer swelling and rapid depressurisation; (2) selective adhesive debonding via cosolvents. Further studies are needed to corroborate the mechanism, validate the process across varied materials, and optimise its performance. This technology could contribute significantly to a more circular and sustainable economy.
提出了一种使用超临界二氧化碳的多层塑料薄膜的新型分层工艺,作为一种可持续的替代方案,以促进其回收。该方法包括在温和条件下(40-80ºC,高达200 bar)将薄膜暴露于纯二氧化碳或用少量助溶剂改性的二氧化碳中,然后快速减压。作为概念的证明,介绍了三种用于食品包装的商业薄膜的分层。采用ATR-FTIR、TGA、DSC和SEM对原料和分层层进行了分析。将聚乙烯(PE)和聚对苯二甲酸乙二醇酯(PET)或用聚氨酯胶粘剂(PU)制备的聚乙烯和机器定向聚乙烯(MDO-PE)形成的多层聚合物薄膜在PET/PU和MDO-PE/PU界面上分层。此外,来自无菌饮料纸盒的聚铝部分分层,释放出薄PE层和富铝聚铝复合材料。在所研究的共溶剂中,DMSO和甲醇的分层效率最高,而丙酮和水的分层效率较低。提出了该过程的多种机制:(1)CO₂引起的聚合物膨胀和快速减压引起的机械应力;(2)通过共溶剂选择性脱粘。需要进一步的研究来证实机理,验证不同材料的过程,并优化其性能。这项技术可以为更加循环和可持续的经济做出重大贡献。
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引用次数: 0
Structural compatibility-driven performance enhancement: PA6 in-situ microfibrillated Pebax composites with improved rheological, crystallization, and foaming properties 结构相容性驱动的性能增强:PA6原位微纤化Pebax复合材料具有改善的流变性、结晶性和发泡性
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-11-03 DOI: 10.1016/j.supflu.2025.106829
Lei Zhang, Ruyun Xu, Mingwei Guo, Genshi Liu, Zheng Shen, Guangxian Li, Xia Liao
Polyamide 6 (PA6) is one of the most widely used synthetic fibers in the world, and its molecular structure is similar to that of the hard segments of polyether block amide (Pebax). Therefore, it is an ideal material for in-situ fiber formation to reinforce Pebax and its foams. In this work, Pebax/PA composites with excellent tensile properties were prepared through the combination of in-situ fibrillation and chain extension. The nano three-dimensional network structure constructed by PA6 improved the crystallization performance and rheological properties of Pebax. Its high specific surface area promoted heterogeneous nucleation of cells and reduced the average cell size. The cell nucleation density of the in-situ fibrillated Pebax composite foam (14.5 ×108 nuclei/cm3) was 2.2 times that of the non-fibrillated one (6.7 ×108 nuclei/cm3). Furthermore, the introduction of PA6 in-situ fibers enhanced the tensile properties and cyclic compression properties of the Pebax/PA foam. The tensile strength was increased by approximately 2.5 times at its maximum, and the compressive strength reached up to 1.41 MPa when the expansion ratio was approximately 6 times.
聚酰胺6 (PA6)是世界上应用最广泛的合成纤维之一,其分子结构与聚醚嵌段酰胺(Pebax)的硬段相似。因此,它是一种理想的原位纤维形成材料,以增强Pebax及其泡沫。本研究通过原位纤颤和扩链相结合的方法制备了具有优异拉伸性能的Pebax/PA复合材料。PA6构建的纳米三维网络结构改善了Pebax的结晶性能和流变性能。它的高比表面积促进了细胞的非均质成核,减小了细胞的平均尺寸。原位纤化Pebax复合泡沫的成核密度(14.5 ×108核/cm3)是未纤化Pebax复合泡沫(6.7 ×108核/cm3)的2.2倍。此外,PA6原位纤维的引入提高了Pebax/PA泡沫的拉伸性能和循环压缩性能。拉伸强度最大时提高了约2.5倍,当膨胀比约为6倍时,抗压强度可达1.41 MPa。
{"title":"Structural compatibility-driven performance enhancement: PA6 in-situ microfibrillated Pebax composites with improved rheological, crystallization, and foaming properties","authors":"Lei Zhang,&nbsp;Ruyun Xu,&nbsp;Mingwei Guo,&nbsp;Genshi Liu,&nbsp;Zheng Shen,&nbsp;Guangxian Li,&nbsp;Xia Liao","doi":"10.1016/j.supflu.2025.106829","DOIUrl":"10.1016/j.supflu.2025.106829","url":null,"abstract":"<div><div>Polyamide 6 (PA6) is one of the most widely used synthetic fibers in the world, and its molecular structure is similar to that of the hard segments of polyether block amide (Pebax). Therefore, it is an ideal material for in-situ fiber formation to reinforce Pebax and its foams. In this work, Pebax/PA composites with excellent tensile properties were prepared through the combination of in-situ fibrillation and chain extension. The nano three-dimensional network structure constructed by PA6 improved the crystallization performance and rheological properties of Pebax. Its high specific surface area promoted heterogeneous nucleation of cells and reduced the average cell size. The cell nucleation density of the in-situ fibrillated Pebax composite foam (14.5 ×10<sup>8</sup> nuclei/cm<sup>3</sup>) was 2.2 times that of the non-fibrillated one (6.7 ×10<sup>8</sup> nuclei/cm<sup>3</sup>). Furthermore, the introduction of PA6 in-situ fibers enhanced the tensile properties and cyclic compression properties of the Pebax/PA foam. The tensile strength was increased by approximately 2.5 times at its maximum, and the compressive strength reached up to 1.41 MPa when the expansion ratio was approximately 6 times.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"229 ","pages":"Article 106829"},"PeriodicalIF":4.4,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145434979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dense carbon dioxide technologies applied to the conservation of cultural heritage: A review 致密二氧化碳技术在文化遗产保护中的应用综述
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-03-01 Epub Date: 2025-10-17 DOI: 10.1016/j.supflu.2025.106821
Inês Soares , Angelica Bartoletti , Carolina Viana , Isabel Pombo Cardoso , Teresa Casimiro , Joana Lia Ferreira
Cultural heritage conservation is a complex and challenging field, involving a wide variety of materials with distinct properties, degradation behaviours and specific requirements, often demanding non-standardised methodologies. Conventional treatments frequently rely on hazardous products, raising concerns about user safety and environmental impact. In response, green chemistry principles have gained prominence, advocating for safer and more sustainable practices by replacing toxic products with less harmful alternatives, thereby mitigating risks to conservators, the environment, and heritage assets. Carbon dioxide (CO2), owing to its tuneable and non-toxic properties, has emerged as a green solvent alternative to traditional solvent-based methods in the conservation field. Therefore, this research reviews the application of dense CO2 technologies (liquid and supercritical) in conservation processes including cleaning, decontamination, degreasing, hydration, stabilisation, and consolidation, across a wide array of materials like textiles, wood, leather, metal, glass, paper and plastics. Drawing on experimental trials and case studies, key achievements, challenges, and emerging trends are highlighted, encouraging further research into these promising and sustainable CO2-based technologies.
文化遗产保护是一个复杂而具有挑战性的领域,涉及具有不同特性、降解行为和特定要求的各种材料,通常需要非标准化的方法。传统的治疗方法经常依赖于危险产品,这引起了人们对用户安全和环境影响的担忧。作为回应,绿色化学原则得到了重视,倡导更安全、更可持续的做法,用危害较小的替代品取代有毒产品,从而减轻对保护人员、环境和遗产资产的风险。二氧化碳(CO2)由于其可调节和无毒的特性,已成为传统溶剂基方法的绿色溶剂替代品。因此,本研究回顾了致密二氧化碳技术(液体和超临界)在保护过程中的应用,包括清洁、去污、脱脂、水化、稳定和固化,涉及纺织品、木材、皮革、金属、玻璃、纸张和塑料等广泛的材料。根据实验试验和案例研究,重点强调了主要成就、挑战和新兴趋势,鼓励进一步研究这些有前途和可持续的基于二氧化碳的技术。
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引用次数: 0
Extraction kinetics and yield optimization of aronia pomace using supercritical CO₂ 超临界co2萃取野樱果渣动力学及收率优化
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-02-01 Epub Date: 2025-09-29 DOI: 10.1016/j.supflu.2025.106796
Massimiliano Errico , Emil Søe Lehmann Carlsen , Kai Kniepkamp , Ron Hajrizaj , Lars Duelund , Stefania Tronci , Massimiliano Grosso
The increasing interest in Aronia melanocarpa berries for their antioxidant properties sets the necessity to define sustainable strategies to valorize the by-products. This study investigates the use of supercritical carbon dioxide (scCO2) extraction, with and without ethanol as a co-solvent, for recovering lipophilic and phenolic compounds from aronia pomace. Extractions were performed at 20, 30, and 40 MPa and temperatures of 50, 70, and 90 °C. A yield of about 2.7 g per 100 g of dried pomace was obtained at 40 MPa and 90 °C. However, the highest total phenolic content of about 165 mg of gallic acid equivalent per 100 g of dried pomace was achieved with 5 % ethanol co-solvent at 50 °C and 30 MPa. The lipid extracts were rich in linoleic acid and the wax portion increased under low-density scCO2 conditions. A feedforward neural network was developed to model extraction kinetics and predict yield as a function of temperature, pressure, and time, demonstrating high predictive accuracy. These findings highlight scCO2 extraction as a viable route for the efficient and selective recovery of valuable bioactives from aronia pomace, contributing to a circular bioeconomy.
随着人们对黑檀莓抗氧化性能的兴趣日益浓厚,有必要制定可持续发展的战略,以确保副产品的价值。本研究探讨了用超临界二氧化碳(scCO2)萃取,以乙醇和无乙醇作为共溶剂,从野樱果渣中回收亲脂性和酚性化合物。分别在20、30、40 MPa和50、70、90℃的温度下进行提取。在40 MPa和90℃条件下,每100 g干渣油的产率约为2.7 g。然而,在50°C和30 MPa条件下,在5 %乙醇共溶剂条件下,每100 g干渣土的总酚含量最高,约为165 mg没食子酸当量。低密度scCO2条件下,油脂提取物富含亚油酸,蜡质部分增加。利用前馈神经网络建立萃取动力学模型,并根据温度、压力和时间预测产率,具有较高的预测精度。这些发现强调了scCO2萃取是一种有效和选择性地从野樱草渣中回收有价值生物活性物质的可行途径,有助于循环生物经济。
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引用次数: 0
Tip clearance effects on the performance of a hundred kW-class supercritical CO2 turbine 叶尖间隙对百千瓦级超临界CO2涡轮性能的影响
IF 4.4 3区 工程技术 Q2 CHEMISTRY, PHYSICAL Pub Date : 2026-02-01 Epub Date: 2025-09-08 DOI: 10.1016/j.supflu.2025.106780
Kang Yang , Zhijian He , Naxin Zhang , Laijie Chen , Zheng Qin , Lintao Wang , Keyong Dong , Hailiang Li , Xinyu Li , Huimin Liu , Jian Lan , Zhongshang Song , Zhenchang Fang , Xinqi Qiao
Supercritical carbon dioxide (S-CO₂) Brayton cycle technology offers significant efficiency and environmental benefits. The turbine, a core component, critically affects system performance. In hundred-kW-class S-CO₂ turbines, the large tip clearance-to-blade height ratio significantly impacts efficiency and flow characteristics. This study combines experiments and simulations to investigate tip clearance effects.Comparison of simulation results with experimental data validates the simulation method with a maximum discrepancy of 3.3 %, confirming its reliability. The results demonstrate that under design conditions, the CFD-simulated mass flow rate is 9.67 kg/s with an isentropic efficiency of 81.5 %, while experimental results show 9.35 kg/s and 83.9 %, respectively. Further analysis of different tip clearances reveals a near-linear relationship between clearance size and turbine performance. For every 0.25 mm increase in tip clearance, the mass flow rate decreases by approximately 0.04 kg/s, and turbine efficiency declines by 1.04 %. These findings provide valuable guidance for optimizing the design of hundred-kW-class S-CO₂ turbines.
超临界二氧化碳(S-CO 2)布雷顿循环技术具有显著的效率和环境效益。汽轮机是影响系统性能的核心部件。在百千瓦级S-CO₂涡轮中,较大的叶尖间隙与叶片高度比会显著影响效率和流动特性。本研究结合实验和模拟研究了叶尖间隙的影响。仿真结果与实验数据的对比验证了仿真方法的有效性,最大误差为3.3 %,验证了仿真方法的可靠性。结果表明:在设计条件下,cfd模拟的质量流量为9.67 kg/s,等熵效率为81.5 %,而实验结果分别为9.35 kg/s和83.9 %。对不同叶尖间隙的进一步分析揭示了间隙大小与涡轮性能之间的近似线性关系。叶尖间隙每增加0.25 mm,质量流量下降约0.04 kg/s,涡轮效率下降1.04 %。这些研究结果为百千瓦级S-CO₂涡轮的优化设计提供了有价值的指导。
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引用次数: 0
期刊
Journal of Supercritical Fluids
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