Journal of Supercritical Fluids最新文献_第8页

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 : 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

Preparation and formation mechanism of bimodal cell structure in TPU/PVDF foam using microwave heating foaming 微波加热发泡TPU/PVDF泡沫材料双峰胞孔结构的制备及形成机理

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-11-05 DOI: 10.1016/j.supflu.2025.106833

Yichong Chen , Yao Peng , Wenyu Zhong , Boda Du , Jiayang Sun , Xuwei Li , Xiaojia Wang , Dongdong Hu , Ling Zhao

Polymer foams offer advantages including lightweight, high resilience, excellent thermal insulation, superior sound absorption, and effective energy dissipation. Those with bimodal cell structures exhibit outstanding cyclic compression performance and comprehensive properties, garnering significant research attention. Microwave heating, as a non-conventional technique, enables rapid and uniform heating with minimal thermal gradients. Introducing materials with differential microwave energy absorption capabilities into a polymer matrix, combined with microwave heating foaming after supercritical CO₂ saturation at 40 ℃, 8 MPa for 8 h and slow depressurization, provides an effective route to achieve polymer foams with bimodal cells. This work utilized incompatible TPU and PVDF as the matrix. A phase separated structure was formed within the TPU/PVDF composite system due to the inherent immiscibility of the two polymers, leveraging the inherent difference in microwave energy absorption between the two polymers to create a TPU/PVDF foam with a bimodal cell structure. The extent of phase separation in the TPU/PVDF composite was investigated using SEM and EDS. Subsequently, the influence of PVDF content on the melting and crystallization behavior, rheological properties, and uniaxial tensile behavior of the TPU/PVDF composites was examined. By controlling microwave radiation power and time, various bimodal cell structures were successfully fabricated within the TPU/PVDF composites. Finally, COMSOL Multiphysics simulations were employed to model the microwave heating effects in both TPU and TPU/PVDF. These simulations demonstrated the formation mechanism of the bimodal cell structure during the foaming process of the TPU/PVDF composite. This work establishes a novel processing strategy for designing high-performance polymer foams.

聚合物泡沫具有重量轻、回弹性高、隔热性能好、吸声效果好、耗能效果好等优点。具有双峰胞结构的复合材料具有优异的循环压缩性能和综合性能，引起了人们的广泛关注。微波加热作为一种非传统的技术，能够以最小的热梯度实现快速均匀的加热。在聚合物基体中引入具有不同微波能量吸收能力的材料，并在40℃、8 MPa、8 h的超临界CO2饱和条件下进行微波加热发泡，缓慢降压，为实现具有双峰电池的聚合物泡沫提供了有效途径。这项工作利用不兼容的TPU和PVDF作为矩阵。由于两种聚合物固有的不混溶性，在TPU/PVDF复合体系中形成了相分离结构，利用两种聚合物之间固有的微波能量吸收差异来创建具有双峰细胞结构的TPU/PVDF泡沫。利用扫描电镜和能谱仪研究了TPU/PVDF复合材料的相分离程度。随后，研究了PVDF含量对TPU/PVDF复合材料熔融结晶行为、流变性能和单轴拉伸性能的影响。通过控制微波辐射功率和时间，在TPU/PVDF复合材料内部成功制备了多种双峰胞元结构。最后，采用COMSOL多物理场模拟方法对TPU和TPU/PVDF的微波加热效应进行了模拟。模拟结果揭示了TPU/PVDF复合材料发泡过程中双峰胞结构的形成机理。本工作为设计高性能聚合物泡沫材料建立了一种新的加工策略。

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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 : 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

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 : 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

High-rate anti-shrinkage poly (butylene adipate-co-terephthalate) / poly(butylene succinate) foams with varying PMMA-GMA content 具有不同PMMA-GMA含量的高速率抗收缩聚己二酸丁二酯/聚丁二酸丁二酯泡沫

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-11-03 DOI: 10.1016/j.supflu.2025.106831

Hanlin Tian , Zepeng Wang , Jinshuo Yu , Yan Zhao , Hongwei Pan , Junjia Bian , Zhibing Wang , Huiliang Zhang

The supercritical CO₂ (sc-CO₂) foaming method is a green and highly efficient foaming technique. ts integration with biodegradable (butylene adipate-co-terephthalate) (PBAT) for foam preparation has increasingly become a research hotspot. However, insufficient foaming and shrinkage remain the primary challenges limiting the application of PBAT foam. To address these issues, foam materials were prepared by incorporating PMMA-GMA into PBAT and PBS, and the effect of PMMA-GMA content on the foaming behavior was investigated. This addition improves the expansion ratio and PBAT foam stability. PMMA-GMA enhanced the storage modulus and complex viscosity in rheological properties, which supports improved polymer foaming. The introduction of carbonyl groups on PMMA and the reduction in phase domain size facilitate CO₂ absorption, thereby increasing the expansion ratio. The high rigidity of PMMA significantly improves the compressive strength of the foam. At 20 % PMMA-GMA content, the foam maintains an expansion ratio of 18.3, with shrinkage reduced to 13 %, and achieves a normalized compression modulus of 2.88 MPa.

超临界co2 （sc-CO2）发泡法是一种绿色高效的发泡技术。其与可生物降解的（己二酸丁二酯-对苯二甲酸酯）（PBAT）相结合制备泡沫已日益成为研究热点。然而，泡沫和收缩不足仍然是限制PBAT泡沫应用的主要挑战。为了解决这些问题，将PMMA-GMA掺入PBAT和PBS中制备泡沫材料，并研究了PMMA-GMA含量对发泡性能的影响。该添加剂提高了PBAT的膨胀率和泡沫稳定性。PMMA-GMA提高了聚合物的存储模量和复合粘度，从而改善了聚合物的流变性能。PMMA上羰基的引入和相畴尺寸的减小有利于CO2的吸收，从而提高了膨胀比。PMMA的高刚性显著提高了泡沫的抗压强度。当PMMA-GMA含量为20 %时，泡沫的膨胀率为18.3，收缩率为13 %，归一化压缩模量为2.88 MPa。

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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

Journal of Supercritical Fluids

Pub 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。

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引用次数: 0

Numerical investigations on transport properties for SCO2 flow in Gyroid structures with the pore-scale method 用孔隙尺度法研究SCO2在旋转结构中的输运特性

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-10-31 DOI: 10.1016/j.supflu.2025.106828

Wenpeng Hong, Jingwen Fan, Guilei Yue, Haoran Li, Xiaojuan Niu

Supercritical CO₂ (SCO₂) has emerged as a promising coolant for transpiration cooling in combustion chamber liners. The cooling performance is strongly influenced by the transport properties of SCO₂ within porous media. However, the absence of accurate porosity-dependent correlations for customized porous structures has hindered the application of volume-averaged models, which are more appropriate for transpiration design. In this study, Gyroid porous structures with porosities ranging from 30 % to 42 % were reconstructed at the pore scale. Numerical simulations of heat and mass transfer were conducted to investigate the local transport behaviors of SCO₂. Porosity-dependent correlations for permeability, Forchheimer coefficient, convective heat transfer, and effective thermal conductivity were derived from the pore-scale simulation data. The permeability increased exponentially with porosity, while the Forchheimer coefficient decreased linearly from approximately 6.7171 × 10⁴ m⁻¹ to 3.4923 × 10³ m⁻¹ . The effective thermal conductivity was found to require correction factors between 0.57 and 0.78. An empirical correlation for the surface-averaged Nusselt number (Nu_sf) was also proposed, incorporating correction terms to account for temperature-dependent thermophysical properties. These correlations were implemented into a volume-averaged model and validated through conjugate simulations. Comparisons with pore-scale results demonstrated that the LTNE-based volume-averaged model accurately predicts both temperature and velocity fields. Overall, this study presents a multiscale modeling framework for SCO₂ transport in Gyroid porous media and validated empirical correlations, addressing a critical gap in transpiration cooling design using the volume-averaged method.

超临界二氧化碳（SCO2）已成为一种很有前途的冷却剂，用于燃烧室内的蒸腾冷却。二氧化硅在多孔介质中的输运特性对其冷却性能有很大影响。然而，由于定制多孔结构缺乏精确的孔隙度相关关系，因此阻碍了体积平均模型的应用，而体积平均模型更适合蒸腾设计。本研究在孔隙尺度上重建了孔隙度为30 % ~ 42 %的旋回状孔隙结构。采用数值模拟方法研究了SCO2的局部输运行为。渗透率、Forchheimer系数、对流换热和有效导热系数与孔隙度相关的相关性来源于孔隙尺度模拟数据。渗透率随孔隙度呈指数增长，而福希海默系数从大约6.7171 × 104 m⁻¹ 线性下降到3.4923 × 103 m⁻¹ 。发现有效导热系数需要在0.57和0.78之间的修正因子。还提出了表面平均努塞尔数（Nusf）的经验相关性，并结合校正项来考虑温度相关的热物理性质。这些相关性被实现到一个体积平均模型中，并通过共轭模拟进行验证。与孔隙尺度结果的比较表明，基于ltne的体积平均模型能够准确地预测温度场和速度场。总体而言，本研究提出了SCO 2在Gyroid多孔介质中输运的多尺度建模框架，并验证了经验相关性，解决了使用体积平均方法进行蒸腾冷却设计的关键空白。

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引用次数: 0

Synthesis of glycerol carbonate via direct carbonation of glycerol in CO2 over Pd/CeO2/TiO2 catalyst Pd/CeO2/TiO2催化下，甘油在CO2中直接碳化合成碳酸甘油

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-10-30 DOI: 10.1016/j.supflu.2025.106827

Awais Khalid, Satam Alotibi

We report herein the effect of Pd loading supported over CeO₂/TiO₂ nanocomposite for catalytic carbonation of glycerol with CO₂. The synthesized catalyst was thoroughly characterized using various spectroscopic and microscopic techniques and overserved uniformly dispersed 1.5 % Pd nanoparticles of 5–20 nm showed improved conversion of glycerol to 34 % with 60 % glycerol carbonate selectivity at 150°C. Reaction parameters, such as temperature, CO₂ pressure, mmol of 2-cyanopyridine, and the reaction time, were investigated. Sheldon’s hot filtration test confirmed the catalyst’s heterogeneity with no leaching up to five consecutive cycles.

本文报道了CeO2/TiO2纳米复合材料负载Pd对甘油与CO2催化碳酸化反应的影响。利用各种光谱和显微技术对合成的催化剂进行了全面表征，并在150°C下均匀分散的1.5 % Pd纳米颗粒（5-20 nm）表明，甘油转化率提高到34 %，碳酸甘油选择性提高到60 %。考察了反应温度、CO2压力、2-氰吡啶的mmol和反应时间等参数。谢尔顿的热过滤测试证实了催化剂的非均质性，连续五次循环都没有浸出。

引用次数: 0

A mechanistic model for X65 steel corrosion in supercritical CO2 flow and phase change pipeline transportation environment X65钢在超临界CO2流动和相变管道输送环境中的腐蚀机理模型

IF 4.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-10-29 DOI: 10.1016/j.supflu.2025.106825

Guangyu Liu , Xinxin Fan , Cailin Wang , Junwen Chen , Shengzhu Zhang , Mingzhuo Li , Qihui Hu , Yuxing Li

Phase transitions in long-distance CO₂ pipelines are inevitable, yet their coupled effects on corrosion under real pipeline flow conditions remain inadequately understood. This study systematically investigates the influence of phase transition and flow velocity on the corrosion mechanisms of X65 steel in CO₂ pipelines through corrosion experiments, microscopic characterization of corrosion product films, and theoretical modeling of droplet spreading and pit development. The findings reveal that flow conditions transform the dominant corrosion mode in the phase transition environment from pitting corrosion in static conditions to uniform corrosion in dynamic conditions. This shift primarily arises from variations in flow rate and CO₂ density, which alter droplet size distribution on the steel surface. Most droplets become smaller than the critical radius required for downward pit propagation, leading to lateral pit expansion rather than deepening. Consequently, uniform corrosion is intensified, while pitting corrosion is mitigated. Furthermore, changes in wall shear stress and droplet dynamics during phase transitions disrupt the structural integrity of corrosion products, further exacerbating uniform corrosion.

长输二氧化碳管道中的相变是不可避免的，但在实际管道流动条件下，它们对腐蚀的耦合效应仍未得到充分的了解。本研究通过腐蚀实验、腐蚀产物膜的微观表征以及液滴扩散和坑发育的理论建模，系统研究了相变和流速对X65钢在CO2管道中的腐蚀机理的影响。研究结果表明，流动条件将相变环境中的主要腐蚀模式从静态条件下的点蚀转变为动态条件下的均匀腐蚀。这种变化主要是由于流量和CO2密度的变化，它们改变了钢表面液滴的大小分布。大多数液滴小于凹坑向下扩展所需的临界半径，导致凹坑横向扩展而不是加深。因此，均匀腐蚀加剧，而点蚀减轻。此外，相变过程中壁面剪切应力和液滴动力学的变化破坏了腐蚀产物的结构完整性，进一步加剧了均匀腐蚀。

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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 : 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