Journal of Supercritical Fluids最新文献

CO2 trapping mechanism in deep saline aquifers under the control of composite geological factors: A numerical case study in China

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-17 DOI: 10.1016/j.supflu.2025.106547

Xiaoyuan Li , Gaofan Yue

{"title":"CO2 trapping mechanism in deep saline aquifers under the control of composite geological factors: A numerical case study in China","authors":"Xiaoyuan Li , Gaofan Yue","doi":"10.1016/j.supflu.2025.106547","DOIUrl":"10.1016/j.supflu.2025.106547","url":null,"abstract":"<div><div>The increasingly intensifying global climatic change necessitates carbon capture and storage. Reservoir physical properties including porosity, permeability, temperature, and pressure directly control the spatial migration, storage forms, and storage capacity of CO<sub>2</sub> in saline aquifers. Based on China’s first CCS demonstration project in saline aquifers, this study constructed a water-CO<sub>2</sub>-thermal-chemical coupling model for long-term CCS in reservoirs. The results indicate that the deep saline aquifers in the Ordos Basin are favorable for CO<sub>2</sub> mineral trapping, with a mineralization storage amount reaching up to 64.02 % of the total injection amount at 1000 years. Temperature is identified as the most significant factor influencing safe CO<sub>2</sub> mineral trapping under CO<sub>2</sub> injection. The study not only provides valuable insights into the mechanisms of CO<sub>2</sub> trapping but also lays a foundation for optimizing the design of ongoing CCS projects and evaluating site suitability for future projects, facilitating progress toward China's carbon neutrality target.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"221 ","pages":"Article 106547"},"PeriodicalIF":3.4,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143489035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Valorization of cocoa bean shell residue from supercritical fluid extraction through hydrothermal carbonization for porous material production

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-17 DOI: 10.1016/j.supflu.2025.106550

Ji Sun Lim , Seung Eun Lee , Bonggeun Shong , Young-Kwon Park , Hong-shik Lee

{"title":"Valorization of cocoa bean shell residue from supercritical fluid extraction through hydrothermal carbonization for porous material production","authors":"Ji Sun Lim , Seung Eun Lee , Bonggeun Shong , Young-Kwon Park , Hong-shik Lee","doi":"10.1016/j.supflu.2025.106550","DOIUrl":"10.1016/j.supflu.2025.106550","url":null,"abstract":"<div><div>This study investigated the potential for high-value utilization of cocoa shell (CS) residues derived from supercritical fluid extraction (SFE) by converting them into hydrochar through hydrothermal carbonization (HTC) and activation (A-HTC). Hydrochar produced from residues extracted with water as a co-solvent exhibited the highest carbon content (78.7 %) after HTC and activation, highlighting the critical role of the co-solvent in optimizing dehydrogenation and dehydration reactions. Structural analysis revealed that residues rich in water-soluble components formed smaller pores, whereas lipid-rich residues formed larger pores. Activated hydrochar obtained from water-extracted residues demonstrated the largest surface area (315 m²/g) and pore diameter (7.10 nm), indicating mesoporous properties suitable for adsorption applications. The Van Krevelen diagram confirmed that HTC hydrochar stability improved through condensation and aromatization processes. By integrating SFE with HTC, this study presents a systematic approach for converting by-products into high-value hydrochar, offering a sustainable solution for resource recycling and utilization.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"221 ","pages":"Article 106550"},"PeriodicalIF":3.4,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143479863","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

Enhanced density modeling of hydrocarbon fuels at near supercritical gas-liquid boundary and high-pressure liquid region using a new volume-translated three-parameter cubic equation of state

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-15 DOI: 10.1016/j.supflu.2025.106548

Jiwan Seo , Jaesung Lee , Sangwoo Lee , Jaeho Lee , Kyu Hong Kim

{"title":"Enhanced density modeling of hydrocarbon fuels at near supercritical gas-liquid boundary and high-pressure liquid region using a new volume-translated three-parameter cubic equation of state","authors":"Jiwan Seo , Jaesung Lee , Sangwoo Lee , Jaeho Lee , Kyu Hong Kim","doi":"10.1016/j.supflu.2025.106548","DOIUrl":"10.1016/j.supflu.2025.106548","url":null,"abstract":"<div><div>Recently, understanding the Equation of State (EoS) has become increasingly critical for high-fidelity numerical simulations of hydrocarbon-fueled cooling channel and internal combustion engine. However, selecting an appropriate EoS that balances a straightforward algorithm with high predictive accuracy for density across various fluids remains challenging. In this work, integrating and applying simple modifications to the Redlich-Kwong-Peng-Robinson (RKPR) EoS, the generalized Redlich-Kwong (gRK) attraction term, and the Volume-Translation (VT) method present to achieve improvements in three key areas: (1) extending EoS applicability from low to high critical compressibility factor, (2) enhancing density prediction near the supercritical gas-liquid boundary, and (3) improving density prediction within the high-pressure liquid region. To evaluate the performance of the newly developed Volume-Translated Redlich-Kwong Peng-Robinson (VTRKPR) EoS, density of fluids (exo-THDCPD, n-decane, n-dodecane) over a wide range of pressures and temperatures is calculated using various EoSs and the NIST database with the SUPERTRAPP and REFPROP programs. Results confirm that the VTRKPR EoS provides superior density predictions compared to other EoSs.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"220 ","pages":"Article 106548"},"PeriodicalIF":3.4,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444283","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

Observations and analysis of near-critical fuel injection

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-13 DOI: 10.1016/j.supflu.2025.106549

Z. Alexander , T. Krause , N. Ly , U. Hegde , M. Hicks , M. Ihme

{"title":"Observations and analysis of near-critical fuel injection","authors":"Z. Alexander , T. Krause , N. Ly , U. Hegde , M. Hicks , M. Ihme","doi":"10.1016/j.supflu.2025.106549","DOIUrl":"10.1016/j.supflu.2025.106549","url":null,"abstract":"<div><div>Results from a study of n-heptane jets injected into a nitrogen environment under supercritical pressures with respect to n-heptane are presented. The temperature of the injected jet varies from supercritical to subcritical values (with respect to the n-heptane critical temperature) while the ambient environment is maintained at temperatures above the critical temperature of n-heptane. Three types of jets are observed and described: (1) subcritical, where the liquid/gas interface persists until complete evaporation of the liquid phase (2) supercritical, where there is no sharp interface between the injected jet and the ambient gas, and (3) transcritical, where distinct liquid/gas phase interface exists at injection but disappears before complete evaporation of the liquid. The subcritical and transcritical jets exhibit Rayleigh-Plateau instability where the jet breaks up into droplets. For subcritical jets, the droplets maintain their sharp interface whereas for the transcritical case the droplets transition from evaporative mixing to diffusive mixing with the surrounding fluid. The experiments are conducted under microgravity conditions at the Zero-Gravity Facility at NASA Glenn Research Center to minimize effects of buoyancy. To interpret these observations, the evolution of a transitioning droplet is modeled with a Regularized Interface Method that can describe both subcritical and supercritical processes as well as transcritical dynamics. Model predictions of critical transition are compared with experimental results and show good agreement.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"220 ","pages":"Article 106549"},"PeriodicalIF":3.4,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454911","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

Enhanced separation of valuable compounds from Spirulina using supercritical carbon dioxide: Influence of pretreatments and co-solvent addition on composition and bioactivity of extracts

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-10 DOI: 10.1016/j.supflu.2025.106545

Stoja Milovanovic , Agnieszka Grzegorczyk , Łukasz Świątek , Katarzyna Tyśkiewicz , Marcin Konkol , Dusica Stojanovic

{"title":"Enhanced separation of valuable compounds from Spirulina using supercritical carbon dioxide: Influence of pretreatments and co-solvent addition on composition and bioactivity of extracts","authors":"Stoja Milovanovic , Agnieszka Grzegorczyk , Łukasz Świątek , Katarzyna Tyśkiewicz , Marcin Konkol , Dusica Stojanovic","doi":"10.1016/j.supflu.2025.106545","DOIUrl":"10.1016/j.supflu.2025.106545","url":null,"abstract":"<div><div>There is a lack of information on pretreatments that improve the separation of biologically valuable extracts from <em>Spirulina</em> using supercritical carbon dioxide (scCO<sub>2</sub>). Therefore, this study was focused on testing microwave irradiation and rapid gas decompression pretreatments for the recovery of <em>Spirulina</em> extracts that express antioxidant, antimicrobial, and cytotoxic activity. Extractions from native and pretreated microalgae were performed using scCO<sub>2</sub> at 40 MPa and 40 °C, without or with ethanol as a co-solvent. Results revealed that the extraction process was positively influenced to some extent by the application of each pretreatment and co-solvent addition. Specifically, extraction yield was improved up to 8.7-fold, separation of γ-linolenic acid increased from 7.3% to 35.6 %, chlorophyll A content increased from 12.1 to 272.1 mg/g extract, and tocopherol amount rose from 1.3 to 24.7 mg α-TE/g dry biomass. On the other hand, separations performed with co-solvent decreased the content of carotenoids from 100.2 to 35.6 mg/g as well as the antioxidant activity of extracts and their cytotoxicity on human hypopharyngeal squamous cell carcinoma. Moreover, the addition of ethanol to scCO<sub>2</sub> had an adverse effect on the flavonoid content (which ranged from 45.8 to 82.4 mg RE/g) and the antimicrobial activity of extracts against 32 microbial strains. This exploratory study provides guidelines for the design, operation, and intensification of an environmentally friendly separation of added-value <em>Spirulina</em> extracts.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"220 ","pages":"Article 106545"},"PeriodicalIF":3.4,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395138","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

Measurement of phase transition, density and viscosity of supercritical carbon dioxide-Fischer-Tropsch wax mixtures

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-10 DOI: 10.1016/j.supflu.2025.106546

Andri Swanepoel , Philip W. Labuschagne , Cara E. Schwarz

引用次数: 0

Phase equilibrium modeling for CCUS fluids using a modified association equation of state

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-07 DOI: 10.1016/j.supflu.2025.106543

Wei Xiong , Lie-Hui Zhang , Yu-Long Zhao , Shao-Mu Wen , Li-Li Liu , Zheng-Lin Cao , Yong-Chao Wang , Shan-Gui Luo , Xian-Yu Jiang

{"title":"Phase equilibrium modeling for CCUS fluids using a modified association equation of state","authors":"Wei Xiong , Lie-Hui Zhang , Yu-Long Zhao , Shao-Mu Wen , Li-Li Liu , Zheng-Lin Cao , Yong-Chao Wang , Shan-Gui Luo , Xian-Yu Jiang","doi":"10.1016/j.supflu.2025.106543","DOIUrl":"10.1016/j.supflu.2025.106543","url":null,"abstract":"<div><div>Accurate derivatives are required for simulating large-scale carbon dioxide (CO<sub>2</sub>) geological storage using the Cubic-Plus-Association equation of state (CPA EoS). However, due to the mathematical implicitness of cross-association, calculating the correct derivatives of site fractions for cross-association mixtures is extremely difficult and computationally demanding. A general explicit formulation of cross-association for different bonding types is presented. The non-bonded fraction of cross-associating molecules is obtained from the non-bonded fraction of self-associating molecules without cross-association. This approach eliminates the circular iterative process and improves computational efficiency. The overall CPU time decreases by 70 % for flash calculations and compositional simulations. The modeling capability of CPA is extended to H<sub>2</sub>O-CO<sub>2</sub>-H<sub>2</sub>S-N<sub>2</sub>-O<sub>2</sub>-Ar-SO<sub>2</sub>-CH<sub>4</sub>-C<sub>2</sub>H<sub>6</sub>-C<sub>3</sub>H<sub>8</sub> mixtures. Results indicate that CPA can accurately predict the phase behavior of binary CO<sub>2</sub> capture, utilization, and storage (CCUS) mixtures. This study provides a modified CPA EoS, applicable to most of the currently treated CCUS fluids, and discusses its strengths and limitations.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"219 ","pages":"Article 106543"},"PeriodicalIF":3.4,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387623","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

Supercritical extraction of salicin, aspirin precursor, from the willow bark, laboratory optimization via response surface methodology and mathematical modeling

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-06 DOI: 10.1016/j.supflu.2025.106540

Mohammad Abohassan , Normurot Fayzullaev , Gaber Edris , Subasini Uthirapathy , Gaurav Sanghvi , Naga Bhushana Rao Vakada , Swati Sharma , Prashant Nakash , Yasser Fakri Mustafa , Maythum Ali Shallan

{"title":"Supercritical extraction of salicin, aspirin precursor, from the willow bark, laboratory optimization via response surface methodology and mathematical modeling","authors":"Mohammad Abohassan , Normurot Fayzullaev , Gaber Edris , Subasini Uthirapathy , Gaurav Sanghvi , Naga Bhushana Rao Vakada , Swati Sharma , Prashant Nakash , Yasser Fakri Mustafa , Maythum Ali Shallan","doi":"10.1016/j.supflu.2025.106540","DOIUrl":"10.1016/j.supflu.2025.106540","url":null,"abstract":"<div><div>In this study, salicin, the key active ingredient in willow bark and a primary source of aspirin, was extracted using supercritical CO₂. Gas chromatography (GC) characterized the extract. Key operating factors, including pressure, temperature, particle size, and extraction time, were varied to optimize extraction yield, employing response surface methodology (RSM) with a central composite design (CCD) method. The maximum yield was 12.371 % (mass of extracted salicin / mass of dry willow bark) with a 56.75 % salicin recovery under the optimal condition, determined as 22 MPa pressure, 40 °C temperature, 0.45 mm particle size, and 100 minutes extraction time. Results showed that higher extraction time and pressure increased yield, while temperature and particle size reduced it. Extraction time had the most significant effect, while temperature was the least impactful. The Sovová and Tan and Liou models were applied, showing close agreement between predicted and experimental extraction curves.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"219 ","pages":"Article 106540"},"PeriodicalIF":3.4,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387624","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

Supercritical CO2 foaming and mechanical properties of thermoplastic polyurethane based on molecular structure

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-06 DOI: 10.1016/j.supflu.2025.106541

Chenyang Niu, Xiulu Gao, Yichong Chen, Weizhen Sun, Ling Zhao, Dongdong Hu

{"title":"Supercritical CO2 foaming and mechanical properties of thermoplastic polyurethane based on molecular structure","authors":"Chenyang Niu, Xiulu Gao, Yichong Chen, Weizhen Sun, Ling Zhao, Dongdong Hu","doi":"10.1016/j.supflu.2025.106541","DOIUrl":"10.1016/j.supflu.2025.106541","url":null,"abstract":"<div><div>The molecular structures of thermoplastic polyurethane (TPU) affect its microphase separation and foaming behavior. Three aliphatic TPUs were studied to investigate the influence of their molecular structures on their crystallization behavior, shear rheological properties, mechanical properties, and foaming behavior. The experimental results indicated that the branched structure and hard segment content affected the crystallization behavior of TPU. Lower crystallinity decreased the foaming initiation temperature, whereas higher crystallinity enhanced the stability of cell structure. The branched structure and hard segment domains functioned as heterogeneous nucleation sites, leading to increased cell density and reduced cell size in microcellular TPU. Microcellular TPU with a high molecular weight and branched structure exhibited superior tensile strength and elongation at break, i.e., the tensile strength and elongation at break of TPU1 with a density of 0.25 g/cm<sup>3</sup> reached 10.82 MPa and 373 %, respectively. This study demonstrated the regulation of microcellular TPU by analyzing its molecular structures.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"219 ","pages":"Article 106541"},"PeriodicalIF":3.4,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143228086","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

Supercritical CO2 assisted extraction, purification and modelling of free fatty acids from the crude mixture – A case study of tallow hydrolysis

IF 3.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-02-04 DOI: 10.1016/j.supflu.2025.106542

EK Anagha , R. Sariga , K. ShyamSundar , Rames C. Panda , M. Helen Kalavathy , S.N. Naik

{"title":"Supercritical CO2 assisted extraction, purification and modelling of free fatty acids from the crude mixture – A case study of tallow hydrolysis","authors":"EK Anagha , R. Sariga , K. ShyamSundar , Rames C. Panda , M. Helen Kalavathy , S.N. Naik","doi":"10.1016/j.supflu.2025.106542","DOIUrl":"10.1016/j.supflu.2025.106542","url":null,"abstract":"<div><h3>Background</h3><div>Tallow, a by-product of the leather-industry, is widely used in pharmaceuticals and oleochemical applications as a source/precursor of glycerol, obtained by aqueous-hydrolysis under high-pressure-temperature from a hydrolyzing-tower. Though standard procedures of extracting glycerol from the bottom-product are well established, the purification of fatty-acids (FA) from the top crude-mixture needs attention</div></div><div><h3>Method</h3><div>This paper identifies and separates individual fatty-acids from the Twitchell-process using the supercritical-fluid-extraction (SFE). Solubilities (Soave-Redlich-Kwong) and phase-diagrams are obtained using Matlab & Aspen, respectively. The characteristics of the product are analyzed by mass-spectroscopy which reveals that the FA-components present in the crude-mixture in the ratio of 4.3:32.2:43.0:20.4 for C-14, C16, C16 = 2, and C18 components respectively are more efficiently extracted by the solvent of SFE compared to CH<sub>3</sub>OH solvent</div></div><div><h3>Findings</h3><div>It has been found from the analysis and characterization that the rate of extraction is improved by 2–3 times in case of saturated while it’s about 9 times in-case-of unsaturated FA compared to the nominal method of extraction. Addition of ionic-liquid (IL) with SFE-solvent improved the solubility to 92 %. A model is formulated to validate the findings. It is suggested that the pure components extracted by SFE assisted by IL can be used for the preparation of oleochemicals in further downstream-processing.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"219 ","pages":"Article 106542"},"PeriodicalIF":3.4,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143349287","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