Journal of Supercritical Fluids最新文献_第9页

Upgrading and purification of biolubricants by extraction of fatty acid methyl esters with dense CO2 浓CO2萃取脂肪酸甲酯对生物润滑剂的升级提纯

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-10-11 DOI: 10.1016/j.supflu.2025.106814

A. Pizzano , S.B. Rodriguez Reartes , P.E. Hegel

In the last years, there has been an increasing use of eco-friendly lubricant options produced from renewable raw materials, which are less toxic to humans and ecosystems. As the demand for sustainable products rises, lubricants derived from vegetable oils and animal fats are gaining attraction. In this study, we evaluate the purification of a biolubricant synthesized via classical alkali-catalyst esterification of fatty acid methyl esters (FAME) with trimethylolpropane (TMP) using CO₂ as solvent media. Unlike conventional purification solvents, using CO₂ minimizes environmental impact and aligns with green chemistry principles. We investigate the purification and upgrading of the filtrated biolubricant (28 wt% FAME) using CO₂ -both in its liquid and supercritical states- as a green solvent for designing a more sustainable separation process. The study examines phase equilibria of the multicomponent mixture (liquid-liquid-vapor to liquid-vapor phase transition), solubility of biolubricant in CO₂ (8.0–22.4 mg/g biolubricant/CO₂ according to operating conditions) and the purification process. The final bio-based base oils are analyzed to determine their FAME content, viscosity, and viscosity index. Results show that purified bio-based base oils contain as little as 2.9 wt% FAME, with a viscosity of 0.051 Pa.s at 313.2 K and a viscosity index of 196, comparable to those of the trimethylolpropane triolein standard. These findings suggest that the bio-based base oils produced and purified are suitable for lubrication applications, matching or exceeding the quality of conventional lubricants.

在过去的几年里，越来越多的人使用由可再生原料生产的环保润滑剂，这些原料对人类和生态系统的毒性较小。随着对可持续产品需求的增加，从植物油和动物脂肪中提取的润滑油越来越受欢迎。在这项研究中，我们评估了传统的碱催化脂肪酸甲酯（FAME）与三甲基丙烷（TMP）酯化合成的生物润滑剂的纯化，以CO2为溶剂介质。与传统的净化溶剂不同，使用二氧化碳可以最大限度地减少对环境的影响，并符合绿色化学原则。我们研究了过滤后的生物润滑剂（28 wt% FAME）的净化和升级，使用液体和超临界状态的二氧化碳作为绿色溶剂，以设计更可持续的分离过程。本研究考察了多组分混合物的相平衡（液-液-气-液-气相变）、生物润滑剂在CO2中的溶解度（8.0-22.4 mg/g生物润滑剂/CO2，根据操作条件而定）和纯化过程。对最终的生物基基础油进行分析，确定其FAME含量、粘度和粘度指数。结果表明，纯化后的生物基基础油的FAME含量仅为2.9 wt%，粘度为0.051 Pa。s在313.2 K下，粘度指数为196，与三甲基丙烷三油醇标准相当。这些研究结果表明，所生产和纯化的生物基基础油适用于润滑应用，其质量与传统润滑油相当或超过传统润滑油。

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引用次数: 0

Solvent effects on kinetics of hydrolysis reactions in supercritical water 溶剂对超临界水中水解反应动力学的影响

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-10-09 DOI: 10.1016/j.supflu.2025.106798

Akira Yoko , Mitsuru Sasaki , Tadafumi Adschiri

Hydrolysis reactions occurring under high-temperature compressed water, particularly near the critical point, are important for various organic and inorganic reaction applications. Earlier studies have examined solvent effects of hydrolysis reactions during metal oxide formation. The effectiveness of the Kirkwood equation for describing solvent effects has been reported. Distinguishing the reactant effects of water is important to treat kinetics data. Various hydrolysis reactions of organic compounds have been studied intensively for several decades. However, in terms of solvent effects, the analysis operation and the microscopic interpretation of the data have not been well established. For this study, the hydrolysis reactions of trehalose were examined specifically by comparing those of cellobiose and supercritical hydrothermal synthesis of metal oxides. Among the various aspects of water effects, the solvent effects described using the Kirkwood theory after considering the reactant effects were demonstrated effectively by the study findings.

在高温压缩水中发生的水解反应，特别是在临界点附近，对于各种有机和无机反应的应用是重要的。早期的研究考察了金属氧化物形成过程中水解反应的溶剂效应。柯克伍德方程是描述溶剂效应的有效方法。区分水的反应物效应对处理动力学数据很重要。几十年来，人们对有机化合物的各种水解反应进行了深入的研究。然而，在溶剂效应方面，分析操作和数据的微观解释尚未很好地建立。在本研究中，通过比较纤维素糖和超临界水热合成金属氧化物的水解反应，对海藻糖的水解反应进行了具体的研究。在水效应的各个方面中，考虑了反应物效应后用Kirkwood理论描述的溶剂效应得到了研究结果的有效证明。

引用次数: 0

Multilayer integrated design for frequency-tunable silicone rubber-based electromagnetic shielding foams 频率可调硅橡胶基电磁屏蔽泡沫的多层集成设计

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-10-15 DOI: 10.1016/j.supflu.2025.106818

Zuoze Fan, Xiaohan Wang, Bo Wang, Yishen Zhao, Ruyun Xu, Guangxian Li, Xia Liao

The integrated preparation strategy of multi-layer foam materials is expected to meet the demand for frequency-selective electromagnetic shielding properties. In this study, a synergistic regulation strategy of magnetic field and supercritical CO₂ foaming technology was employed to achieve the parallel alternate arrangement of conductive layers and porous layers. The impact of the layered cell structure in liquid silicone rubber/ ferrosoferric oxide modified graphene/ carbon nanotube (LSR/Fe₃O₄@G/CNT) on the electromagnetic shielding performance in the X-band (8.4 GHz–12.4 GHz) was systematically investigated. The results demonstrate that the electromagnetic shielding effectiveness (SE_T) of the unfoamed material remained stable at 11.4 dB. In contrast, the layered foam material exhibited frequency-selective electromagnetic shielding characteristics and the maximum SE_T reaching 33.4 dB after foaming. By adjusting the foaming parameters, the position of the shielding peak can be effectively regulated, enabling the multi-layered silicone rubber foam to achieve high shielding efficiency within specific frequency bands.

多层泡沫材料的综合制备策略有望满足频率选择性电磁屏蔽性能的需求。本研究采用磁场协同调节策略和超临界CO2发泡技术，实现导电层和多孔层的平行交替排列。系统研究了液态硅橡胶/氧化铁改性石墨烯/碳纳米管（LSR/Fe3O4@G/CNT）层状电池结构对x波段（8.4 GHz - 12.4 GHz）电磁屏蔽性能的影响。结果表明，非发泡材料的电磁屏蔽效能（SET）稳定在11.4 dB。相反，层状泡沫材料表现出频率选择性电磁屏蔽特性，发泡后最大SET达到33.4 dB。通过调节发泡参数，可以有效调节屏蔽峰值的位置，使多层硅橡胶泡沫在特定频段内具有较高的屏蔽效率。

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引用次数: 0

Effect of CO2-philic surfactant on adhesion behavior and foamability of thermoplastic polyurethane (TPU) in water-free foaming process 亲二氧化碳表面活性剂对热塑性聚氨酯（TPU）无水发泡过程中粘附性能和发泡性能的影响

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-11-10 DOI: 10.1016/j.supflu.2025.106836

Yao Peng , Wenyu Zhong , Weizhong Zheng , Dongdong Hu , Xiaojia Wang , Jiayang Sun , Xinyu Zhuo , Yichong Chen , Ling Zhao

Carbon dioxide (CO₂) water suspension foaming can produce complex special-shaped components foamed products with microcellular and low-density bead foams. The traditional water suspension foaming process has wastewater, complexity, high energy consumption, and hydrolysable polymer degradation. Based on the above problems, the water-free bead foaming process in spouted bed is developed, which has simple process and high efficiency. However, due to the differences in molecular structure of different polymers and the different plasticization effect of CO₂ on polymers, there are differences in the adhesion behavior of polymer beads in the foaming process. In this work, thermoplastic polyurethane (TPU) beads were selected as raw materials, and the effects of different CO₂-philic surfactants on the adhesion and foaming behavior of TPU beads were investigated. Molecular dynamics (MD) simulations and experiments showed perfluorooctanoic acid (PFOA) can inhibit the adhesion of TPU foamed beads. Under 4 wt% PFOA, non-adhered TPU foamed beads with expansion ratio is 10.75, cell size is 49.83 μm and cell density is 4.30 × 10⁷ cells/cm³ can be prepared. Then, the shrinking TPU foamed beads are foamed twice by nitrogen (N₂), and expansion ratio is over 14 times, cell size is 60.06 μm, and cell density is 5.23 × 10⁷ cells/cm³. Through this method, achieving non-adhered TPU foamed beads characterized by high expansion ratio, high cell density, and small cell size. Finally, PFOA was efficiently recovered and reused via flash evaporation, achieving a recovery ratio exceeding 97.69 %. It’s worthy that minor losses may still present environmental and health concerns.

二氧化碳（CO2）水悬浮发泡可以生产具有微孔和低密度泡沫珠的复杂异形构件泡沫制品。传统的水悬浮发泡工艺存在废水、工艺复杂、能耗高、易水解聚合物降解等问题。针对上述问题，开发了工艺简单、效率高的喷床无水珠发泡工艺。然而，由于不同聚合物分子结构的差异以及CO2对聚合物的增塑性作用的不同，使得聚合物珠在发泡过程中的粘附行为存在差异。本文以热塑性聚氨酯（TPU）微球为原料，研究了不同的亲二氧化碳表面活性剂对TPU微球粘附和发泡性能的影响。分子动力学（MD）模拟和实验表明，全氟辛酸（PFOA）可以抑制TPU发泡珠的粘附。在4 wt% PFOA条件下，可制得膨胀比为10.75、孔尺寸为49.83 μm、孔密度为4.30 × 107个孔/cm3的无粘附TPU泡沫珠。然后，用氮气（N2）对收缩后的TPU泡沫珠进行二次发泡，膨胀率超过14倍，孔尺寸为60.06 μm，孔密度为5.23 × 107个孔/cm3。通过该方法，获得了具有高膨胀比、高孔密度、小孔尺寸等特点的非粘附TPU泡沫珠。最后，通过闪蒸对PFOA进行高效回收再利用，回收率达到97.69 %以上。值得注意的是，轻微的损失可能仍然会引起环境和健康问题。

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引用次数: 0

Technoeconomic analysis of biofuel production from spent coffee grounds using supercritical ethyl acetate 用超临界乙酸乙酯从废咖啡渣中生产生物燃料的技术经济分析

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-11-08 DOI: 10.1016/j.supflu.2025.106834

Wirasinee Supang , Somkiat Ngamprasertsith , Winatta Sakdasri , Ruengwit Sawangkeaw

This study is a techno-economic analysis of biodiesel production from spent coffee grounds (SCGs) using ethyl acetate as an extracting solvent and a reactant through interesterification under supercritical conditions—a process called SCEA. Aspen Plus V12 was employed to simulate the SCEA process compared to the conventional biodiesel production process. Both processes operated at an original feed rate of 24,225 tonnes per year, but the production capacities of the conventional and SCEA processes were 1000 tonnes per year and 1800 tonnes per year, respectively. Because of the simplicity of SCEA, the fixed capital investment costs were lower than those of the conventional process. However, at the original feed rate, neither process was profitable within a project lifetime of 20 years. The production capacity of SCEA was increased to 4 times, 8 times, and 16 times its original size to identify the most effective scale for the production facility. The SCEA process commenced successfully with a production capacity of 7500 tonnes per year, but the payback period of 19.5 years was deemed unsatisfactory. The production capacities of 15,000 tonnes per year and 30,000 tonnes per year provided the payback periods of 7.67 years and 6.08 years, respectively. Nonetheless, the 15,000-ton plant requires 193,798 tonnes SCGs per year as feedstock, which is 12 times the annual coffee production in Thailand. Hence, this project is well-suited for large coffee producers when utilizing SCGs as a singular feedstock. Combining other feedstocks, such as microalgae, non-edible seeds, and waste fruit seeds, with SCGs presents an optional pathway for future research on biodiesel production.

这项研究是对用废咖啡渣（scg）生产生物柴油的技术经济分析，使用乙酸乙酯作为萃取溶剂和在超临界条件下进行交换反应的反应物，这一过程被称为SCEA。采用Aspen Plus V12模拟SCEA过程，并与传统生物柴油生产过程进行比较。这两种工艺的原始进料量均为每年24 225吨，但常规工艺和SCEA工艺的生产能力分别为每年1000吨和每年1800吨。由于SCEA工艺简单，固定资本投资成本低于常规工艺。然而，在最初的进料速度下，这两种工艺在20年的项目生命周期内都没有盈利。将SCEA的生产能力分别提高到原来的4倍、8倍和16倍，以确定生产设施的最有效规模。SCEA过程成功地开始，每年的生产能力为7500吨，但19.5年的投资回收期被认为是不令人满意的。年产15000吨和30000吨的生产能力，投资回收期分别为7.67年和6.08年。尽管如此，这个15000吨的工厂每年需要193798吨scg作为原料，这是泰国年咖啡产量的12倍。因此，当使用scg作为单一原料时，该项目非常适合大型咖啡生产商。将微藻、非食用种子和废弃水果种子等其他原料与scg相结合，为未来生物柴油生产的研究提供了一条可选的途径。

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引用次数: 0

Comparison of LC3 and traditional SCM-blended cement pastes under supercritical CO2 exposure 超临界CO2作用下LC3与传统scm混合水泥浆的比较

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-11-04 DOI: 10.1016/j.supflu.2025.106832

Kristína Compeľová , Jiří Másilko , Jozef Švorec , Peter Peciar , Eva Kuzielová

Carbonation of cementitious materials is a critical issue affecting the long-term performance of geothermal wells. This study compares the resistance of limestone calcined clay cements (LC³) and traditional SCM-based (silica fume and metakaolin) cement pastes exposed to supercritical CO₂ for 7 days. The extent of carbonation and the associated phase transformations resulting from carbonation reactions were assessed using TGA, XRD, FTIR, and SEM-EDX analyses. Additionally, bulk density and compressive strength tests were conducted to evaluate the mechanical properties. The results demonstrated that the LC³ composition exhibited superior resistance to carbonation compared to the mixtures incorporating silica fume and metakaolin at an equivalent level of cement replacement. Higher carbonation penetration in traditional SCM-based systems is evidenced by up to 52 % higher carbonate contents in the middle part of the samples. This enhanced carbonation is attributed to the limited portlandite buffering capacity. In the middle part of the sample, LC3–70 contained up to 55 % more portlandite, indicating both reduced carbonation and lower pozzolanic reactivity of the calcined clay and limestone compared to SF/MK mixtures. Higher portlandite content in LC³ favoured more extensive carbonation-induced densification of the pore structure, effectively impeding CO₂ ingress. In addition, this process contributed to an increase in compressive strength, which reached 53 MPa, approximately 34 % higher than that of the corresponding composition cured under standard water-hydration conditions. For highly carbonated SF/MK samples, compressive strength increased by 77 % reaching up to 93 MPa.

胶结材料的碳酸化是影响地热井长期性能的关键问题。本研究比较了石灰石煅烧粘土水泥（LC3）和传统的scm基水泥（硅灰和偏高岭土）在超临界二氧化碳环境下暴露7天的耐磨性。通过TGA， XRD， FTIR和SEM-EDX分析来评估碳化程度和碳化反应引起的相关相变。此外，还进行了堆积密度和抗压强度试验来评估其力学性能。结果表明，在同等水平的水泥替代下，与含有硅灰和偏高岭土的混合物相比，LC3组成具有更强的抗碳化性。在传统的基于scm的体系中，较高的碳化渗透证明了样品中部的碳酸盐含量高达52. %。这种增强的碳酸化作用归因于有限的波特兰岩缓冲能力。在样品的中间部分，LC3-70含有高达55% %的波特兰铁矿，这表明与SF/MK混合物相比，煅烧粘土和石灰石的碳化作用降低，火山灰反应性降低。LC3中较高的波特兰岩含量有利于孔隙结构更广泛的碳化致密化，有效地阻碍了CO2的进入。此外，该工艺还提高了抗压强度，达到53 MPa，比标准水水化条件下固化的相应组合物的抗压强度提高了约34 %。对于高碳化的SF/MK样品，抗压强度提高了77 %，达到93 MPa。

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引用次数: 0

Preparation of drug-containing chitosan gels based on CO2-induced pH switching 基于co2诱导pH开关的含药壳聚糖凝胶的制备

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-11-12 DOI: 10.1016/j.supflu.2025.106839

Hiroaki Matsukawa, Yasue Matsuoka, Yuko Nakamoto, Katsuto Otake

The solubilization of poorly water-soluble drugs is a key challenge for ensuring drug effectiveness. One approach is to complex water-soluble polymers with drugs. In this study, we focused on ionic interactions between a polymer and a drug as a novel complexation method. A cationic polymer, chitosan, was used as the polymer, and an anionic drug, indomethacin, was used as the drug. The solubilization of chitosan in water requires acidic conditions. Therefore, we utilized pH switching induced by the introduction of carbon dioxide to adjust the pH in a manner harmless to the human body. This method made it possible to reduce the use of organic solvents harmful to the human body. Using this strategy, a chitosan gel loaded with indomethacin was obtained. Under the preparation conditions of this study, approximately 5.0 mg/mL of indomethacin was dispersed by forming a complex with chitosan. This represents approximately 2000 times greater dispersion compared to its original saturation solubility in water. Furthermore, changing the preparation temperature altered the dispersibility of the loaded drug, and amide bonds were formed between chitosan and indomethacin at higher temperatures, resulting in an uneven gel. As amide bonds have been shown to inhibit drug release, gel formation at an appropriate preparation temperature is necessary to minimize amide bond formation. The dissolution test results showed that the dissolution rate of the drug in the complex increased by approximately 60–200 % compared to that of indomethacin alone. This study demonstrates a new method for solubilizing poorly water-soluble anionic drugs using chitosan.

水溶性差的药物的增溶是确保药物有效性的关键挑战。一种方法是将水溶性聚合物与药物复合。在这项研究中，我们重点研究了聚合物与药物之间的离子相互作用作为一种新的络合方法。以阳离子聚合物壳聚糖为聚合物，阴离子药物吲哚美辛为药物。壳聚糖在水中的溶解需要酸性条件。因此，我们利用引入二氧化碳诱导的pH转换，以对人体无害的方式调节pH值。这种方法可以减少对人体有害的有机溶剂的使用。利用该方法制备了一种负载吲哚美辛的壳聚糖凝胶。在本研究的制备条件下，约5.0 mg/mL的吲哚美辛与壳聚糖形成配合物分散。这相当于其在水中的原始饱和溶解度的2000倍。此外，改变制备温度改变了负载药物的分散性，并且在较高温度下壳聚糖与吲哚美辛之间形成酰胺键，导致凝胶不均匀。由于酰胺键已被证明抑制药物释放，在适当的制备温度下形成凝胶是必要的，以尽量减少酰胺键的形成。溶出度试验结果表明，与单独使用吲哚美辛相比，药物在配合物中的溶出率提高了约60-200 %。本研究提出了一种利用壳聚糖溶解难溶性阴离子药物的新方法。

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引用次数: 0

Two-phase constant phase fraction lines in binary isopleths: Computation method utilizing liquid-liquid-vapor information and resulting analysis 二元等值线中两相恒相分数线：利用液-液-气信息的计算方法及结果分析

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-10-25 DOI: 10.1016/j.supflu.2025.106826

Matías J. Molina , Martín Cismondi , S. Belén Rodriguez-Reartes , Marcelo S. Zabaloy

In this work, a criterion is proposed, for binary systems, for detecting the segments, of already calculated liquid-liquid-vapor (LLV) equilibrium lines, which should be part of the heterogeneous region of a yet to be computed isopleth of set global composition z. This criterion is based on a system of equations corresponding to mass conservation constraints. Through the application of this criterion, it is also possible to automatically detect the LLV points that will be located on the phase envelope of the isopleth, i.e., the double saturation points. On the other hand, at specified z and specified phase mole fraction

Φ_{x}

of a given “x” phase, a two-phase line of constant

Φ_{x}

becomes defined. Such line will be made of one or more segments. Each segment has one or more origin/termination points (endpoints). The present criterion also identifies, of such endpoints, those of the LLV type. The detected endpoints are used by an algorithm, proposed also in this work, for computing two-phase constant phase mole fraction lines or segments for binary systems. The proposed methodology is here illustrated for the CO₂ (1) + n-tetradecane (2) binary system. The obtained results suggest the existence of complex phase behavior patterns in the heterogeneous regions of the isopleths, depending on the set global composition. The presence of critical points significantly contributes to the mentioned complexity.

在这项工作中，提出了一个准则，对于二元系统，用于检测已经计算的液-液-汽（LLV）平衡线的片段，它应该是尚未计算的集合整体组成z的等长线的非均质区域的一部分。该准则基于与质量守恒约束相对应的方程组。通过应用该判据，还可以自动检测将位于等等值线相位包络线上的LLV点，即双饱和点。另一方面，在给定“x”相的特定z和特定相摩尔分数Φx处，确定了常数Φx的两相线。这样的线将由一个或多个线段组成。每个片段有一个或多个起始/终止点（端点）。本标准还确定了这些端点中LLV类型的端点。检测到的端点被一种算法所使用，该算法也在这项工作中提出，用于计算二元系统的两相恒定相摩尔分数线或段。本文给出了CO2 (1) + n-十四烷(2)二元体系的方法。所得结果表明，在等质体的非均质区域存在复杂的相行为模式，这取决于集合的整体组成。临界点的存在极大地增加了上述复杂性。

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引用次数: 0

Infrared microspectroscopy with Bayesian inference for revealing spatiotemporal evolution of supercritical CO2 sorption in low-density polyethylene 基于贝叶斯推理的红外微光谱分析揭示低密度聚乙烯超临界CO2吸附的时空演化

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-10-21 DOI: 10.1016/j.supflu.2025.106823

Alex Eduardo Delhumeau, Amaël Obliger, Thierry Tassaing

We demonstrate the application of Bayesian inference for the analysis of concentration profile data obtained with infrared microspectroscopy (IRM) for the adsorption of supercritical CO₂ in a semicrystalline polymer with simultaneous measurement of the adsorption-induced swelling. Low-density polyethylene (LDPE) is chosen as a model system in which Fick’s second law is expected to hold without any anomalous diffusion because the adsorption-induced swelling is negligible as confirmed by the present study. From fitting all of the spatiotemporal data of the adsorption process, the solubility and the Fickian diffusion coefficient of CO₂ in LDPE are obtained. The Bayesian method provides the statistical uncertainty of the best-fit parameters in addition to rigorously quantifying how closely the proposed model with optimal parameters can explain the experimental data. The sorptive–diffusive process is confirmed to proceed with Fickian kinetics as has been frequently assumed though not formally demonstrated.

我们展示了贝叶斯推理在半晶聚合物中吸附超临界CO2的红外微光谱（IRM）浓度剖面数据分析中的应用，同时测量了吸附引起的膨胀。选择低密度聚乙烯（LDPE）作为模型系统，其中菲克第二定律预计不会出现任何异常扩散，因为吸附引起的膨胀可以忽略不计，本研究证实了这一点。通过拟合吸附过程的所有时空数据，得到了CO2在LDPE中的溶解度和菲克氏扩散系数。贝叶斯方法提供了最佳拟合参数的统计不确定性，并严格量化了所提出的模型与最优参数解释实验数据的密切程度。吸附扩散过程被证实以菲克动力学进行，这是经常假设的，但没有正式证明。

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引用次数: 0

Multi-physics coupling simulation and sealing performance optimization of supercritical CO2 stepped T-groove dry gas seals 超临界CO2阶梯t型槽干气密封多物理场耦合仿真及密封性能优化

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2026-03-01 Epub Date: 2025-11-04 DOI: 10.1016/j.supflu.2025.106830

Andi Jiang , Junhua Ding , Xuexing Ding , Shipeng Wang , Haitao Jiang , Ning Ling

This study examines the thermal hydrodynamic lubrication and thermodynamic performance of stepped T-groove dry gas seals operating with supercritical carbon dioxide (S-CO₂). A stepped T-groove end-face structure is proposed through the optimization of dynamic pressure groove depth. A bidirectional thermal-fluid-solid coupling model is established using finite element analysis to comprehensively examine microscale gas film flow characteristics, critical sealing performance parameters, and the interplay between sealing rings deformation and gas film behavior. Furthermore, temperature distributions and flow evolution within the sealing clearance are compared across various groove depth ratios, and the influence of operational conditions and groove geometric parameters on sealing performance is thoroughly evaluated. Results indicate that an increase in groove depth ratio enhances gas film pressure by 0.50 MPa and improves the opening force, albeit at the expense of greater leakage. Elevated operational parameters intensify turbulence and centrifugal inertia effects, significantly affecting overall seal performance. Sealing performance parameters exhibit varying sensitivity to groove geometry: opening force, leakage rate, and frictional force increase with a higher circumferential groove ratio but decrease with a higher radial groove ratio, while the opening-to-leakage ratio shows an opposite trend. Optimal sealing performance occurs at circumferential and radial groove ratios ranging from 0.4 to 0.6 under the studied conditions. These findings provide essential theoretical support for the design and optimization of stepped T-groove dry gas seal under S-CO₂ operating conditions.

本研究考察了在超临界二氧化碳（S-CO2）环境下运行的阶梯t型槽干气密封的热流体动力润滑和热力学性能。通过对动压槽深度的优化，提出了一种阶梯式t型槽端面结构。通过有限元分析，建立了双向热-流-固耦合模型，全面考察了微尺度气膜流动特性、密封关键性能参数以及密封圈变形与气膜行为的相互作用。对比了不同槽深比下密封间隙内的温度分布和流动演化，全面评估了工况和槽形参数对密封性能的影响。结果表明：沟槽深度比的增加使气膜压力提高0.50 MPa，开启力提高，但泄漏量增加；升高的操作参数加剧了湍流和离心惯性效应，显著影响了整体密封性能。密封性能参数对沟槽几何形状的敏感性不同：开口力、泄漏率和摩擦力随周向沟槽比的增大而增大，随径向沟槽比的增大而减小，而开漏比则相反。在研究条件下，当周向沟槽比和径向沟槽比在0.4 ~ 0.6之间时，密封性能最佳。这些研究结果为S-CO2工况下阶梯t槽干气密封的设计与优化提供了重要的理论支持。

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引用次数: 0