Journal of Supercritical Fluids最新文献

英文中文

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 Q2 CHEMISTRY, PHYSICAL

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

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.

本研究的重点是优化一种基于天然深共熔溶剂（NADES）的提取方法，从橙子副产品中提取生物活性化合物，特别是酚类和萜烯类化合物，旨在保护神经。与更传统的方法相比，CO₂辅助加压NADES提取提高了产量和生物活性。提取后，以大豆磷脂酰胆碱为包封剂，通过Box-Behnken设计优化甜菜碱：甘油（Bet:Gly, 1:2）加压提取液的包封效果；最佳工艺条件为：提取液浓度为4199 ppm；轨道搅拌时间，99.1 min；温度：55.1°C。包封工艺允许保留66% %，34% %和80% %的类胡萝卜素，萜烯和酚类化合物。确定了最佳工艺条件后，对向日葵卵磷脂作为新型包封剂进行了试验。使用向日葵卵磷脂可使萜烯和酚类化合物的包封率分别提高18%和15% %，显著提高潜在的神经保护能力。此外，提取物的化学特性进一步支持了这些发现。稳定性测试表明，加压NADES提取物的生物活性维持了15天，而微胶囊化工艺提高了稳定性，并保持了4个多月的生物活性。尽管在加速条件下萜烯和酚含量会有所损失，但微胶囊化显著延长了生物活性化合物的保质期和功能。

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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 Q2 CHEMISTRY, PHYSICAL

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

Liquid oxygen/liquid methane rockets are currently one of the most mature technologies among heavy-lift launch vehicles. However, the combustion of methane and oxygen is a complex transcritical process. The fluid crosses the Widom line can lead to heat transfer deterioration, thereby affecting the stability of combustion. This paper uses molecular dynamics (MD) simulations to calculate the Widom line of the methane-oxygen binary mixture with component changes and investigates the changes in microscopic structure of the mixture as it crosses the Widom line. The results of radial distribution function (RDF) indicate that the second peak exists in the liquid-like region, and when the binary mixture crosses the Widom line into the gas-like region, the second peaks of both components disappear simultaneously. This research findings provide a method for identifying the Widom line of binary mixtures and assist in engineering the identification of regions where heat transfer deterioration occurs during supercritical processes.

液氧/液态甲烷火箭是目前重型运载火箭中技术最成熟的运载火箭之一。然而，甲烷和氧气的燃烧是一个复杂的跨临界过程。流体越过智能线会导致传热恶化，从而影响燃烧的稳定性。本文采用分子动力学（MD）模拟计算了组分变化的甲烷-氧二元混合物的wiom线，并研究了混合物越过wiom线时微观结构的变化。径向分布函数（RDF）结果表明，第二峰存在于类液区，当二元混合物越过Widom线进入类气区时，两组分的第二峰同时消失。该研究结果为二元混合物的智能线识别提供了一种方法，并有助于在工程上识别超临界过程中发生传热恶化的区域。

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 Q2 CHEMISTRY, PHYSICAL

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

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.

利用农业食品工业的残留物开发活性食品包装代表了一种可持续的替代方案，近年来得到了越来越多的关注。在这项工作中，活性玉米蛋白薄膜是通过可持续的超临界二氧化碳技术，用从废咖啡渣中提取的多组分提取物浸渍而成的，咖啡渣是抗氧化剂、多酚和其他生物活性成分的丰富天然来源。该工艺提供了一种新颖而环保的方法，将生物活性多组分提取物装载到可生物降解的薄膜上。采用高压高温萃取法（HPTE）提取玉米蛋白，溶剂铸造法（ZCAS）或静电纺丝法（ZELC）制备玉米蛋白膜。采用超临界浸渍法将多组分提取物装入玉米蛋白膜中。优化了浸渍温度和浸渍时间等工艺参数，使浸渍效率最大化。以咖啡因作为参比化合物进行定量，ZCAS的负载为0.64 mg咖啡因/g膜，ZELC的负载为0.93 mg咖啡因/g膜。经2,2-二苯基-1-吡啶酰肼（DPPH）分析证实，浸渍玉米蛋白薄膜具有增强的光阻隔性能和抗氧化活性，表明其具有作为可持续、活性和环保包装材料的潜力。此外，使用废咖啡渣作为活性成分的来源，结合玉米蛋白作为薄膜基质，提供了一种新的升级回收策略。这种双重功能的方法与目前通过材料科学和废物增值方面的创新来提高粮食系统可持续性的努力相一致。

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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 Q2 CHEMISTRY, PHYSICAL

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

Polyvinyl chloride (PVC) is extensively utilized due to its excellent flame retardancy, aging resistance, and chemical stability. In this work, environmentally friendly supercritical CO₂ 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 CO₂ 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 CO₂ diffusion coefficient declines from 4.73 × 10⁻¹⁰ m²/s to 9.43 × 10⁻¹² m²/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 CO₂ diffusion rate, yielding the maximum expansion ratio of 11.

聚氯乙烯（PVC）因其优异的阻燃性、耐老化性和化学稳定性而得到广泛应用。采用环保的超临界CO2作为发泡剂进行PVC发泡。通过调节工艺条件，制备出胶凝度可控的聚氯乙烯样品。结果表明，胶凝程度对CO2在PVC中的溶解和扩散有显著影响，从而决定了发泡行为和力学性能。凝胶化程度的提高促进了额外交联点的形成和更强的网络结构的形成，这限制了熔体的流动性，同时大大增加了储存和损失模量，表明聚合物熔体的粘弹性性能增强。值得注意的是，随着胶凝度从29.9 %上升到74.2 %，CO2扩散系数从4.73 × 10−10 m2/s下降到9.43 × 10−12 m2/s。实现了对PVC胶凝度的可控调节，从而调节发泡行为。其中，聚氯乙烯胶凝度为63.2 %时，熔体强度最佳，且CO2扩散速率降低，最大膨胀比为11。

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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 Q2 CHEMISTRY, PHYSICAL

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

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 CO₂ 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 R² 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 CO₂ and ethane-rich systems.

在天然气系统中，蜡沉淀是一个持续存在的挑战，它会导致堵塞，降低流动效率，并导致生产、运输和处理单元的成本中断。了解和预测石蜡在超临界气体（如CO2和乙烷）中的溶解度，对于处理这些流动保证问题至关重要。然而，传统的实验技术虽然准确，但资源密集且耗时。同样，传统的热力学模型在应用于复杂的多变量系统时，特别是在不同的操作条件下，往往难以泛化。针对这些限制，本研究探索了先进的数据驱动技术的潜力，以更有效、更准确地模拟蜡的溶解度。三种智能算法，包括极端树（ET）、利用Levenberg-Marquardt算法（MLP-LMA）优化的多层感知器（Multi-Layer Perceptron）和贝叶斯正则化（MLP-BR），在包括气相和固体蜡化合物的压力、温度和临界温度在内的综合实验数据集上进行了训练和测试。其中，MLP-LMA模型表现最好，预测精度突出，RMSE为53.7729，R2为0.9996。通过趋势分析和XAI技术（SHapley Additive explanation）的进一步验证，证实了该模型能够捕捉潜在的物理模式和可变的重要性。杠杆诊断也显示出很强的统计可靠性，只有1.98 %的观察值被归类为潜在的异常值。除了预测的准确性之外，该模型还对实际部署具有重要意义。将其集成到工业流程保证系统中，可以实现快速溶解度估计，支持操作决策，减少停机时间，并优化富CO2和乙烷系统中蜡管理策略的设计。

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引用次数: 0

Waste textile decolorization using supercritical carbon dioxide (ScCO₂) technology: Design and optimization 超临界二氧化碳（ScCO 2）技术对废纺织品脱色的设计与优化

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-04-01 Epub Date: 2025-12-19 DOI: 10.1016/j.supflu.2025.106871

Annah Tayebwa, Mohammad Neaz Morshed, Vincent Nierstrasz

This report presents a dry and chemical free approach to waste textile decolorization using supercritical carbon dioxide (ScCO₂) technology. Dispersed dyed polyester (PET) fabrics was decolorized in a laboratory-scale ScCO₂ system with pristine PET serving as a dye absorbent guided by the principle of ScCO₂ dyeing. The influence of key process parameters such as time, temperature, pressure, and dyed-to-absorber fabric loading on extraction efficiency was analyzed through the equilibrium constant for dye partitioning. Results revealed that PET fabrics treated at 10:90 dyed-to-absorber loading under 120 °C, 25 MPa for 60 min exhibited the highest decolorization efficiency of (79 – 85) % for all dyes, reflected by the lowest color strength (K/S) values of 0.93 – 2.46. The equilibrium constant (Keq) increased with temperature, pressure, and absorber loading, reflecting improved dye partitioning efficiency. In an attempt to predict the thermodynamic behavior waste textile decolorization using ScCO₂, Peng-Robinson Equation of State (PR-EOS) was used to model the behavior and correlated with experimental values. Results showed modest qualitative agreement with experimental data with an AARD of 27–32 %. In general, the experimental finding of the report demonstrates the promising potential of ScCO₂-mediated decolorization of waste textile fabric, offering a dry, energy-efficient strategy supporting textile recycling.

本报告介绍了一种使用超临界二氧化碳（ScCO₂）技术对废纺织品进行干燥和无化学脱色的方法。分散染色聚酯（PET）织物在实验室规模的ScCO₂系统中进行脱色，原始PET作为染料吸收剂，遵循ScCO₂染色原理。通过染料分配平衡常数，分析了时间、温度、压力、染料到吸收剂织物负荷等关键工艺参数对萃取效率的影响。结果表明，在120°C， 25 MPa， 60 min条件下，以10:90的染料-吸收剂负荷处理PET织物，所有染料的脱色效率最高，为（79 ~ 85）%，最低色强（K/S）值为0.93 ~ 2.46。平衡常数（Keq）随着温度、压力和吸收剂负荷的增加而增加，反映了染料分配效率的提高。利用Peng-Robinson状态方程（PR-EOS）建立了废纺织品脱色的热力学行为模型，并与实验值进行了相关分析。结果显示与实验数据有一定的定性一致，AARD为27-32 %。总的来说，该报告的实验结果表明，ScCO 2介导的废纺织织物脱色具有广阔的潜力，为纺织品回收提供了一种干燥、节能的策略。

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