Journal of Supercritical Fluids最新文献_第6页

Sustainable hydrogen production via catalytic supercritical water gasification of microalgae biomass in glycerol-methanol mixture 微藻生物质在甘油-甲醇混合物中催化超临界水气化可持续制氢

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-23 DOI: 10.1016/j.supflu.2025.106849

Ghazal Azadi, Arash Hedayati, Omid Tavakoli, Fatemeh Saberi

{"title":"Sustainable hydrogen production via catalytic supercritical water gasification of microalgae biomass in glycerol-methanol mixture","authors":"Ghazal Azadi, Arash Hedayati, Omid Tavakoli, Fatemeh Saberi","doi":"10.1016/j.supflu.2025.106849","DOIUrl":"10.1016/j.supflu.2025.106849","url":null,"abstract":"<div><div>The reliance on fossil fuels has led to significant environmental issues, including greenhouse gas emissions and climate change. As global energy demand increases, the need for sustainable alternatives becomes crucial. Microalgae have emerged as a renewable and carbon-neutral source for hydrogen production through supercritical water gasification (SCWG) due to their rapid growth, minimal land requirements, and beneficial biochemical properties. This study examines hydrogen production from <em>Dunaliella salina</em>, <em>Spirulina platensis</em>, and <em>Chlorella vulgaris</em> through SCWG at 400°C, 242 bar, and a 45 min residence time. A 4 wt% glycerol/methanol mixture, simulating biodiesel byproducts, was used as the reaction medium with and without a 10 wt% cobalt catalyst at feed concentrations of 5, 10, and 15 wt%. Among microalgae, <em>Dunaliella salina</em> yielded the highest hydrogen mole fraction, reaching 65 % at 10 wt% feed concentration. The cobalt catalyst significantly enhanced hydrogen production (e.g., <em>Dunaliella salina</em> from 38.8 % to 58.5 % H<sub>2</sub> at 15 wt%), hydrogen selectivity (max 50.43 %), and gasification efficiency (max 14.5 %). Moreover, replacing deionized water with a glycerol/methanol medium proved highly beneficial. This substitution substantially increased hydrogen production, alongside notable improvements in selectivity and gasification efficiency, highlighting the synergistic effect of biodiesel byproducts as a reactive solvent in SCWG. These findings underscore the dual benefit of employing biodiesel-derived reaction media and cobalt catalysis in simultaneously enhancing the efficiency and performance of the gasification process. Among the studied species, <em>Dunaliella salina</em> showed the highest potential for clean hydrogen generation, confirming its promise as a strategic microalgal feedstock for future sustainable energy systems.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106849"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145575484","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

Processing window modification in PEEK through CO2 plasticization: Towards hierarchical additive manufacturing 通过CO2塑化改性PEEK的加工窗口：迈向分层增材制造

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-05 DOI: 10.1016/j.supflu.2025.106866

Lucía Doyle , Juan Pedro Fernández-Blázquez , Carlos González

{"title":"Processing window modification in PEEK through CO2 plasticization: Towards hierarchical additive manufacturing","authors":"Lucía Doyle , Juan Pedro Fernández-Blázquez , Carlos González","doi":"10.1016/j.supflu.2025.106866","DOIUrl":"10.1016/j.supflu.2025.106866","url":null,"abstract":"<div><div>Poly(ether ether ketone) (PEEK) is a benchmark high-performance thermo- plastic, yet its high melting temperature, rapid crystallization kinetics, and narrow processing window severely constrain advanced manufacturing, especially additive manufacturing (AM). Here we demonstrate that dissolved CO<sub>2</sub> provides a powerful route to overcome these limitations through its plasticization effects. Dynamic mechanical analysis reveals a substantial 46 °C depression in T<sub><em>g</em></sub> upon CO<sub>2</sub> saturation, together with a broadening of the transition regime from 20 °C to 60 °C, effectively widening PEEK’s processability window. This enables extrusion temperatures to be reduced by 20 °C. Moreover, CO<sub>2</sub> saturation induces up to threefold volume expansion during extrusion, with coarse cellular morphologies of approximately 100 <em>µ</em>m. By coupling thermal plasticization with controlled foaming, this work lays the groundwork for CO<sub>2</sub>-assisted PEEK processing strategies that enable processing at lower temperatures while introducing hierarchical architectures. These advances open new pathways for foam-based additive manufacturing of PEEK, expanding its design space for lightweight, high-performance applications in aerospace, medical, and beyond.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106866"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145690140","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

Zeolitic imidazolate framework-8 coating in supercritical carbon dioxide for novel membranes design and the supercritical bridge phenomenon 沸石咪唑酯框架-8涂层在超临界二氧化碳中的新型膜设计和超临界桥现象

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-01 DOI: 10.1016/j.supflu.2025.106864

Ashika Dilshani Wackwella Gamage , Hanin Samara , Ewa Lorenc-Grabowska , Mahmoodzia Zamaninia , Ewelina Ksepko , Irena Zizovic

{"title":"Zeolitic imidazolate framework-8 coating in supercritical carbon dioxide for novel membranes design and the supercritical bridge phenomenon","authors":"Ashika Dilshani Wackwella Gamage , Hanin Samara , Ewa Lorenc-Grabowska , Mahmoodzia Zamaninia , Ewelina Ksepko , Irena Zizovic","doi":"10.1016/j.supflu.2025.106864","DOIUrl":"10.1016/j.supflu.2025.106864","url":null,"abstract":"<div><div>The study investigates Zeolitic imidazolate framework-8 (ZIF-8) coating with adipic dihydrazide (ADH) using supercritical carbon dioxide (scCO<sub>2</sub>), with the aim of designing composite membranes that exhibit improved homogeneity and compatibility between the polymer and filler. Two high pressure techniques were applied to modify ZIF-8 particles, comprising supercritical solvent impregnation (SSI) that avoids the usage of any organic solvent, and supercritical assisted impregnation (SAI) in the presence of either water or DMF as a solvent for ADH. The effects of pure scCO<sub>2</sub> on ZIF-8 and its high-pressure hydrolysis were also investigated. The ZIF-8 modification was followed by FTIR, XRD, TGA, BET, and SEM methods. Cellulose acetate-based composite membranes were prepared using modified and pristine ZIF-8 and characterized by SEM/FIB and for hydrogen permeation. The results revealed that the coating of ZIF-8 by SAI and DMF as a solvent for ADH affected the structure of ZIF-8 least. Interestingly, despite the low solubility of ADH in scCO<sub>2</sub>, the SSI was successful due to the high affinity of ADH toward ZIF-8, demonstrating a supercritical bridge phenomenon. However, the process affected the BET surface area, particle morphology, and porosity. Composite membranes prepared with a modified filler showed improved homogeneity and reduced hydrogen permeation, qualifying for further studies on the separation of gas mixtures containing hydrogen and carbon dioxide.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106864"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658086","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

Enhancing sterilization efficacy: Evaluating bacterial resistance to supercritical CO2 提高灭菌效果：评价细菌对超临界CO2的抗性

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-29 DOI: 10.1016/j.supflu.2025.106863

J.S. Zhang , A. Mouahid , C. Crampon , Z.S. Xu , N. Neumann , F. Temelli , M.G. Gänzle , E. Badens

{"title":"Enhancing sterilization efficacy: Evaluating bacterial resistance to supercritical CO2","authors":"J.S. Zhang , A. Mouahid , C. Crampon , Z.S. Xu , N. Neumann , F. Temelli , M.G. Gänzle , E. Badens","doi":"10.1016/j.supflu.2025.106863","DOIUrl":"10.1016/j.supflu.2025.106863","url":null,"abstract":"<div><div>Sterilization using supercritical CO₂ (scCO₂) can be conducted at relatively low temperatures but additive-assisted treatments are often required for the complete inactivation of dried resistant strains. Such treatments have not been validated across a panel of relevant target microorganisms. This study aimed to investigate the bacterial reduction of 16 bacterial strains with known resistance to diverse environmental stressors. The selection included strains of <em>Escherichia coli</em> and <em>Bacillus</em> spp. that are highly resistant to wet heat, the heat resistant <em>Geobacillus stearothermophilus</em>, strains of <em>Salmonella</em> with exceptional resistance to dry heat, and <em>Klebsiella pneumoniae</em> isolates from chlorinated wastewater. Treatment of desiccated cells or endospores with scCO<sub>2</sub> at 11 MPa and 40 °C with 200 H<sub>2</sub>O<sub>2</sub> reduced cell counts of most strains by more than 6 log<sub>10</sub> (cfu / mL) but cell counts of <em>G. stearothermophilus</em>, <em>Salmonella</em> and <em>K. pneumoniae</em> were reduced by 1 to 4 log<sub>10</sub> (cfu / mL). Addition of 200 ppm and 400 ppm peracetic acid increased treatment lethality; treatment with scCO<sub>2</sub> at 11 MPa and 40 °C in the presence of 200 H<sub>2</sub>O<sub>2</sub> and 400 ppm peracetic acid reduced cell counts of all strains by more than 6 log<sub>10</sub> (cfu / mL). In conclusion, treatment with scCO<sub>2</sub> at 11 MPa and 40 °C in the presence of H<sub>2</sub>O<sub>2</sub> and peracetic acid reduces cell counts of resistant target microorganisms. This is particularly relevant for the sterilization of implantable and reusable medical devices and serves as a suitable alternative for sterilizing devices that contain heat-sensitive polymers.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106863"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145613896","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

Phase equilibrium data for carbon dioxide/methane/hydrogen + 2-methyl quinoline from T = 263–393 K and P up to 2.6 MPa 二氧化碳/甲烷/氢+ 2-甲基喹啉在T = 263 ~ 393 K和P高达2.6 MPa时的相平衡数据

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-23 DOI: 10.1016/j.supflu.2025.106848

Paul Zvawanda , Paramespri Naidoo , Wayne M. Nelson , Kuveneshan Moodley

{"title":"Phase equilibrium data for carbon dioxide/methane/hydrogen + 2-methyl quinoline from T = 263–393 K and P up to 2.6 MPa","authors":"Paul Zvawanda , Paramespri Naidoo , Wayne M. Nelson , Kuveneshan Moodley","doi":"10.1016/j.supflu.2025.106848","DOIUrl":"10.1016/j.supflu.2025.106848","url":null,"abstract":"<div><div>Hydrogen production via natural gas reforming with integrated carbon capture technology is a viable option as a cleaner fuel source. The solubility of carbon dioxide, methane, and hydrogen into quinaldine (a liquid organic hydrogen carrier, with a hydrogen carrying capacity of 6.6 wt%) is explored for its potential in a direct hydrogen capture application. This study investigated the phase equilibria data for carbon dioxide/methane/hydrogen + 2-methyl-quinoline (quinaldine) over a temperature range of 263–393 K and pressures up to 2.6 MPa. Experiments were conducted using a static synthetic visual apparatus. Validation of the experimental technique was performed through the measurement of vapour-liquid equilibrium data for the carbon dioxide + methanol/n-dodecane/triethylene-glycol test systems from 298 to 353 K and the hydrogen + cyclohexane test system at 303 K. Generally good comparisons were observed between the reported literature data and the data of this work. The data were regressed in Aspen Plus V14 using the Peng-Robinson equation of state. Such information aids in generating a database for phase equilibrium data related to carbon capture and energy storage materials, which forms the backbone for the design of separation and purification units.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106848"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145575490","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

New approaches for improving bioactivity and stability of natural extracts: CO2-assisted compressed NADES and microencapsulation 提高天然提取物生物活性和稳定性的新方法：co2辅助压缩NADES和微胶囊化

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-21 DOI: 10.1016/j.supflu.2025.106845

Victor M. Amador-Luna , Lidia Montero , Carlos Pajuelo , Clovis Antonio Balbinot Filho , Marcelo Lanza , Sandra Regina Salvador Ferreira , Elena Ibáñez , Miguel Herrero

{"title":"New approaches for improving bioactivity and stability of natural extracts: CO2-assisted compressed NADES and microencapsulation","authors":"Victor M. Amador-Luna , Lidia Montero , Carlos Pajuelo , Clovis Antonio Balbinot Filho , Marcelo Lanza , Sandra Regina Salvador Ferreira , Elena Ibáñez , Miguel Herrero","doi":"10.1016/j.supflu.2025.106845","DOIUrl":"10.1016/j.supflu.2025.106845","url":null,"abstract":"<div><div>This study focused on optimizing a Natural Deep Eutectic Solvent (NADES)-based extraction for recovering bioactive compounds, particularly phenolic and terpenic compounds, from orange by-products, aimed at neuroprotection. CO₂-assisted pressurized NADES extraction enhanced both yield and bioactivity compared to more conventional approaches. After the extraction, the encapsulation of the extract obtained with pressurized betaine:glycerol (Bet:Gly, 1:2) was optimized through a Box-Behnken design using soy phosphatidylcholine as encapsulating agent; optimum process conditions were: concentration of the extract, 4199 ppm; orbital agitation time, 99.1 min; temperature, 55.1 °C. The encapsulation process allowed retaining 66 %, 34 %, and 80 % of carotenoids, terpenes, and phenolic compounds, respectively. Once the optimum conditions were stablished, sunflower lecithin was also tested as a new encapsulating agent. The use of sunflower lecithin improved terpene and phenolic compounds encapsulation by 18 and 15 %, respectively, significantly enhancing potential neuroprotective capacity. Moreover, the chemical characterization of the extract further supported these findings. Stability tests revealed that pressurized NADES extracts maintained their bioactivity for 15 days, whereas the microencapsulation process improved stability and preserved bioactivity for over four months. Despite some losses in terpene and phenolic content under accelerated conditions, microencapsulation significantly extended the shelf-life and functionality of the bioactive compounds.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106845"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145567361","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

Molecular dynamics study on the Widom Line of binary mixture of methane and oxygen system 甲烷-氧二元混合物的分子动力学研究

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-24 DOI: 10.1016/j.supflu.2025.106851

Erxing Ren , Xiaoyu Yao , Zhi Yang , Qiaoyan Dong , Jun Shen

引用次数: 0

From spent coffee residues to sustainable packaging: Zein-based active films produced via supercritical impregnation 从废咖啡渣到可持续包装：通过超临界浸渍生产的基于玉米蛋白的活性薄膜

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-01 DOI: 10.1016/j.supflu.2025.106865

Stefania Mottola , Emanuela Drago , Federica Montella , Giuseppe Firpo , Roberta Campardelli , Iolanda De Marco

{"title":"From spent coffee residues to sustainable packaging: Zein-based active films produced via supercritical impregnation","authors":"Stefania Mottola , Emanuela Drago , Federica Montella , Giuseppe Firpo , Roberta Campardelli , Iolanda De Marco","doi":"10.1016/j.supflu.2025.106865","DOIUrl":"10.1016/j.supflu.2025.106865","url":null,"abstract":"<div><div>The reuse of residues from the agri-food industry for the development of active food packaging represents a sustainable alternative that has gained increasing attention in recent years. In this work, active zein films were produced by impregnating them with a multicomponent extract derived from spent coffee grounds – a rich natural source of antioxidants, polyphenols, and other bioactive components – via a sustainable supercritical carbon dioxide technique. This process offers a novel and eco-friendly approach to loading bioactive multicomponent extracts onto biodegradable films. The extracts were obtained via high-pressure and temperature extraction (HPTE), while the zein films were produced using either solvent casting (ZCAS) or electrospinning (ZELC). Supercritical impregnation was employed to load a multicomponent extract into zein films. Process parameters such as temperature and contact time were optimized to maximize impregnation efficiency. The loading, quantified using caffeine as a reference compound, was 0.64 mg caffeine/g film for ZCAS and 0.93 mg caffeine/g film for ZELC. The impregnated zein films exhibited enhanced light barrier properties and antioxidant activity, as confirmed by 2,2-diphenyl-1-picrylhydrazyl (DPPH) analysis, indicating their potential as sustainable, active, and eco-friendly packaging materials. Moreover, the use of spent coffee grounds as a source of active ingredients, combined with zein as the film matrix, provides a novel upcycling strategy. This dual-function approach aligns with current efforts to enhance food system sustainability through innovations in material science and waste valorisation.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106865"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145657459","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

Effect of gelation degree of PVC on its supercritical CO2 foaming behavior and mechanical properties 聚氯乙烯胶凝程度对其超临界CO2发泡性能及力学性能的影响

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-11-19 DOI: 10.1016/j.supflu.2025.106844

Chenyang Niu, Xuelin Zhang, Xiulu Gao, Qiyuan He, Haonan Chen, Yichong Chen, Weizhen Sun, Ling Zhao, Dongdong Hu

{"title":"Effect of gelation degree of PVC on its supercritical CO2 foaming behavior and mechanical properties","authors":"Chenyang Niu, Xuelin Zhang, Xiulu Gao, Qiyuan He, Haonan Chen, Yichong Chen, Weizhen Sun, Ling Zhao, Dongdong Hu","doi":"10.1016/j.supflu.2025.106844","DOIUrl":"10.1016/j.supflu.2025.106844","url":null,"abstract":"<div><div>Polyvinyl chloride (PVC) is extensively utilized due to its excellent flame retardancy, aging resistance, and chemical stability. In this work, environmentally friendly supercritical CO<sub>2</sub> was employed as a blowing agent for PVC foaming. PVC samples with controlled gelation degrees were prepared by modulating the processing conditions. The results show that gelation degree significantly governs the dissolution and diffusion of CO<sub>2</sub> in PVC, consequently dictating foaming behavior and mechanical properties. Elevated gelation degrees promote the development of additional cross-linking points and the formation of stronger network structures, which restrict melt fluidity while substantially increasing both storage and loss moduli, demonstrating enhanced viscoelastic properties of the polymer melt. Notably, as the gelation degree rises from 29.9 % to 74.2 %, the CO<sub>2</sub> diffusion coefficient declines from 4.73 × 10<sup>−10</sup> m<sup>2</sup>/s to 9.43 × 10<sup>−12</sup> m<sup>2</sup>/s. This work achieves controlled regulation of the PVC gelation degree to modulate foaming behavior. Specifically, PVC with 63.2 % gelation degree exhibits optimal melt strength coupled with reduced CO<sub>2</sub> diffusion rate, yielding the maximum expansion ratio of 11.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106844"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145559876","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

Data-driven modeling of wax solubility in supercritical carbon dioxide and ethane systems 超临界二氧化碳和乙烷系统中蜡溶解度的数据驱动建模

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2026-04-01 Epub Date: 2025-12-03 DOI: 10.1016/j.supflu.2025.106867

Mohamed Riad Youcefi , Saad Alatefi , Menad Nait Amar , Ahmad Alkouh

{"title":"Data-driven modeling of wax solubility in supercritical carbon dioxide and ethane systems","authors":"Mohamed Riad Youcefi , Saad Alatefi , Menad Nait Amar , Ahmad Alkouh","doi":"10.1016/j.supflu.2025.106867","DOIUrl":"10.1016/j.supflu.2025.106867","url":null,"abstract":"<div><div>Wax precipitation can present a persistent challenge in natural gas systems, leading to blockages, reduced flow efficiency, and costly interruptions across production, transportation, and processing units. Understanding and predicting the solubility of paraffin waxes in supercritical gases, such as CO<sub>2</sub> and ethane, is crucial to managing these flow assurance issues. However, conventional experimental techniques, while accurate, are resource-intensive and time-consuming. Similarly, traditional thermodynamic models often struggle with generalization when applied to complex multi-variable systems, particularly under varying operational conditions. In response to these limitations, this study explores the potential of advanced data-driven techniques to model wax solubility more efficiently and accurately. Three intelligent algorithms, including Extreme Trees (ET), Multi-Layer Perceptron optimized with Levenberg–Marquardt Algorithm (MLP-LMA) and Bayesian Regularization (MLP-BR), were trained and tested on a comprehensive experimental dataset that includes pressure, temperature, and critical temperatures of both the gas phase and solid wax compounds. Among these, the MLP-LMA model emerged as the top performer, achieving an outstanding prediction accuracy with an RMSE of 53.7729 and an R<sup>2</sup> of 0.9996. Further validation through trend analysis and XAI techniques (SHapley Additive exPlanations) confirmed the model’s ability to capture underlying physical patterns and variable importance. Leverage diagnostics also indicated strong statistical reliability, with only 1.98 % of observations classified as potential outliers. Beyond predictive accuracy, the model holds significant promise for real-world deployment. Its integration into industrial flow assurance systems could enable rapid solubility estimation, support operational decisions, reduce downtime, and optimize the design of wax management strategies in CO<sub>2</sub> and ethane-rich systems.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"230 ","pages":"Article 106867"},"PeriodicalIF":4.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145657457","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