Journal of Supercritical Fluids最新文献

Towards sustainable extraction of bioactive compounds from guayusa (Ilex guayusa): A comparative study on compressed fluids’ performance 瓜柳草生物活性化合物的可持续提取：压缩流体性能的比较研究

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-10-06 DOI: 10.1016/j.supflu.2025.106801

Minxing Zhang , Lidia Montero , Jose A. Mendiola , Elena Ibáñez

{"title":"Towards sustainable extraction of bioactive compounds from guayusa (Ilex guayusa): A comparative study on compressed fluids’ performance","authors":"Minxing Zhang , Lidia Montero , Jose A. Mendiola , Elena Ibáñez","doi":"10.1016/j.supflu.2025.106801","DOIUrl":"10.1016/j.supflu.2025.106801","url":null,"abstract":"<div><div><em>Ilex guayusa</em>, a traditional Amazonian plant rich in caffeine and polyphenols, has attracted interest for its antioxidant and neuroprotective properties. This study evaluates the potential of green compressed fluid extraction techniques to recover bioactive compounds from <em>I. guayusa</em> leaves using environmentally friendly solvents: pressurized liquid extraction (PLE), gas-expanded liquids (GXL), and supercritical fluid extraction (SFE). A mixture design approach combining CO2, ethanol, water, and 2-methyltetrahydrofuran (2-MTHF) in different proportions as solvents was applied to optimize extraction conditions. Among the tested methods, GXL extraction yielded the highest phenolic content and demonstrated superior antioxidant (ABTS and DPPH) and anti-inflammatory (inhibition of lipoxigenase, LOX) activities. Conventional water maceration showed stronger cholinesterase inhibition, suggesting complementary neuroprotective potential. Chemical profiling (HPLC-DAD-ESI-MS/MS) of the optimized extract confirmed the presence of phenolic acids and flavonoids associated with the observed bioactivities. These findings highlight the effectiveness of compressed fluid-based green extraction for obtaining multifunctional phytochemicals from <em>I. guayusa</em>, with promising applications in functional foods and nutraceuticals.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"229 ","pages":"Article 106801"},"PeriodicalIF":4.4,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145271493","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

1-butanol adsorption on activated carbon in supercritical CO2: Experimental measurements and thermodynamic modeling 超临界CO2中1-丁醇在活性炭上的吸附：实验测量和热力学模型

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-10-03 DOI: 10.1016/j.supflu.2025.106802

Daichi Imai, Ikuo Ushiki

{"title":"1-butanol adsorption on activated carbon in supercritical CO2: Experimental measurements and thermodynamic modeling","authors":"Daichi Imai, Ikuo Ushiki","doi":"10.1016/j.supflu.2025.106802","DOIUrl":"10.1016/j.supflu.2025.106802","url":null,"abstract":"<div><div>This study presents the first investigation of the equilibrium adsorption of 1-butanol on activated carbon in a supercritical CO<sub>2</sub> environment, covering a temperature range of 313 K to 353 K and pressures from 10.0 MPa to 20.0 MPa. A fixed-bed column setup, combined with flame ionization detection, enabled the accurate quantification of equilibrium adsorption in supercritical CO<sub>2</sub>. The Dubinin–Astakhov (DA) equation was used to model the equilibrium data and derive physically meaningful parameters: <em>E</em><sub>VOC</sub> (interaction energy between VOC and adsorbent) and <em>W</em><sub>0,VOC</sub> (saturated adsorption volume). Among the alcohol-based VOCs tested, 1-butanol consistently showed the strongest affinity for the activated carbon surface, due to its molecular structure and lower volatility. In addition to confirming common trends such as the effect of CO<sub>2</sub> density on adsorption capacity, this study uniquely shows that adsorption energy increases systematically with VOC molecular size, and that saturated adsorption volume is inversely related to saturated fugacity of VOCs. These findings offer a new thermodynamic perspective that links microscopic molecular properties to macroscopic adsorption behavior, thereby enhancing our understanding of VOC adsorption under supercritical CO<sub>2</sub> conditions.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"229 ","pages":"Article 106802"},"PeriodicalIF":4.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145236640","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

Fluidization characteristics of supercritical fluidized beds: A comprehensive review 超临界流化床流态化特性综述

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-10-01 DOI: 10.1016/j.supflu.2025.106799

Yanna Li , Liangzhao Sun , Gongpeng Wu , Yan He

{"title":"Fluidization characteristics of supercritical fluidized beds: A comprehensive review","authors":"Yanna Li , Liangzhao Sun , Gongpeng Wu , Yan He","doi":"10.1016/j.supflu.2025.106799","DOIUrl":"10.1016/j.supflu.2025.106799","url":null,"abstract":"<div><div>Fluidized beds (FBs) are widely used in many industrial applications, and continuous improvement of their performance is imperative. However, the inherent limitations of gas-solid FBs, particularly concerning fluidization characteristics, mass transfer efficiency, and operational stability, cannot be adequately addressed solely through structural optimization. Accordingly, fluidized bed reactors using supercritical fluids (SCFs) as fluidizing agents have attracted considerable attention in recent years due to their unique physicochemical properties. Supercritical fluidized beds offer higher fluidization uniformity, reduced bubble diameter, improved particle mixing, and greater bed expansion compared to conventional gas-solid FBs. This review comprehensively examines the advancements in supercritical fluidization technology, with emphasis on supercritical water and carbon dioxide. The main findings indicate that operational parameters, including temperature, pressure, and superficial fluid velocity, exert a substantial influence on fluidization characteristics by modulating the properties of the SCF. Particle properties, including diameter, shape, and size distribution, significantly affect minimum fluidization velocity, bubble dynamics, and bed homogeneity. Predictive correlations for critical parameters are discussed, highlighting their role in reactor design and optimization. Despite notable progress, challenges persist, such as limited experimental data and the limited applicability of traditional fluidized bed testing methodologies to the supercritical domain. This review is of considerable significance for the optimized design of supercritical fluidized beds and provides direction for future applications of supercritical fluidized beds across a wider range of fields.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"229 ","pages":"Article 106799"},"PeriodicalIF":4.4,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145271492","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

Heat transfer performance analysis of a helical coil tube with supercritical CO2 as a working fluid 以超临界CO2为工质的螺旋盘管传热性能分析

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-10-01 DOI: 10.1016/j.supflu.2025.106800

Mary Ann Yi Ying Chua , Perumal Kumar , Milinkumar Shah , Jundika Candra Kurnia , Siaw Khur Wee

{"title":"Heat transfer performance analysis of a helical coil tube with supercritical CO2 as a working fluid","authors":"Mary Ann Yi Ying Chua , Perumal Kumar , Milinkumar Shah , Jundika Candra Kurnia , Siaw Khur Wee","doi":"10.1016/j.supflu.2025.106800","DOIUrl":"10.1016/j.supflu.2025.106800","url":null,"abstract":"<div><div>Helical coil heat exchangers offer intensified performance through compact design and secondary flows. Optimising such exchangers requires understanding complex interactions between operating conditions, design parameters, and hydrodynamics. Thermodynamics advancement also leads to the development of new thermodynamic concepts, i.e., synergy between velocity and temperature fields and heat transfer ability of heat transfer systems. Thus, this study investigates steady-state turbulent flow and heat transfer in helical coils using computational fluid dynamics (CFD) and evaluates performance with conventional (energy, entropy, exergy) and novel (entransy, field synergy principle) thermodynamics performance metrics. Supercritical CO<sub>2</sub> (sCO<sub>2</sub>) is used as the working fluid due to its superior thermal-hydraulic advantages at the critical point. Validated three-dimensional (3D) CFD model explores effects of inlet temperature (300–330 K), inlet pressure (8.0–11.0 MPa), heat flux (15.5–25.5 kW m<sup>−2</sup>), curvature ratio (0.010–0.100), non-dimensional pitch (0.04–0.20), and coil turns (4−10) on the performance. Based on the face-centred central composite design (FCCCD), statistically significant regression models (0.819 ≤ <em>R</em><sup><em>2</em></sup> ≤ 0.994) are developed for each output response. Response surface methodology (RSM) identifies the optimum configuration with the highest desirability for maximum heat transfer. Results reveal that entransy is the only performance metric consistent with heat transfer. Finally, analysis of variance (ANOVA) identifies dominant parameters affecting heat transfer performance and energy utilisation efficiency. This study establishes the optimisation framework of integrating CFD with RSM for sCO<sub>2</sub> in helical coils, offering practical design insights for industrial applications.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"228 ","pages":"Article 106800"},"PeriodicalIF":4.4,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145254558","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

Extraction kinetics and yield optimization of aronia pomace using supercritical CO₂ 超临界co2萃取野樱果渣动力学及收率优化

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-09-29 DOI: 10.1016/j.supflu.2025.106796

Massimiliano Errico , Emil Søe Lehmann Carlsen , Kai Kniepkamp , Ron Hajrizaj , Lars Duelund , Stefania Tronci , Massimiliano Grosso

{"title":"Extraction kinetics and yield optimization of aronia pomace using supercritical CO₂","authors":"Massimiliano Errico , Emil Søe Lehmann Carlsen , Kai Kniepkamp , Ron Hajrizaj , Lars Duelund , Stefania Tronci , Massimiliano Grosso","doi":"10.1016/j.supflu.2025.106796","DOIUrl":"10.1016/j.supflu.2025.106796","url":null,"abstract":"<div><div>The increasing interest in <em>Aronia melanocarpa</em> berries for their antioxidant properties sets the necessity to define sustainable strategies to valorize the by-products. This study investigates the use of supercritical carbon dioxide (scCO<sub>2</sub>) extraction, with and without ethanol as a co-solvent, for recovering lipophilic and phenolic compounds from aronia pomace. Extractions were performed at 20, 30, and 40 MPa and temperatures of 50, 70, and 90 °C. A yield of about 2.7 g per 100 g of dried pomace was obtained at 40 MPa and 90 °C. However, the highest total phenolic content of about 165 mg of gallic acid equivalent per 100 g of dried pomace was achieved with 5 % ethanol co-solvent at 50 °C and 30 MPa. The lipid extracts were rich in linoleic acid and the wax portion increased under low-density scCO<sub>2</sub> conditions. A feedforward neural network was developed to model extraction kinetics and predict yield as a function of temperature, pressure, and time, demonstrating high predictive accuracy. These findings highlight scCO<sub>2</sub> extraction as a viable route for the efficient and selective recovery of valuable bioactives from aronia pomace, contributing to a circular bioeconomy.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"228 ","pages":"Article 106796"},"PeriodicalIF":4.4,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145226945","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

Study on interfacial tension in confined spaces using the extended Patel-Teja equation of state 基于扩展Patel-Teja状态方程的受限空间界面张力研究

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-09-29 DOI: 10.1016/j.supflu.2025.106797

Heng Bai, Zhan Meng

{"title":"Study on interfacial tension in confined spaces using the extended Patel-Teja equation of state","authors":"Heng Bai, Zhan Meng","doi":"10.1016/j.supflu.2025.106797","DOIUrl":"10.1016/j.supflu.2025.106797","url":null,"abstract":"<div><div>In confined spaces, the molecule-wall interactions and the strong confinement effect in nanopores lead to a significant deviation in the interfacial tension of confined fluids from that of unconfined fluids. This makes it difficult for classical equations of state to achieve accurate predictions. To address this issue, this study modified the classical cubic Patel-Teja equation of state (EOS) and established an extended Patel-Teja EOS suitable for confined spaces. Firstly, a new pressure term was introduced to characterize the influence of molecule-wall interactions. Secondly, based on experimental and molecular simulation data, a dimensionless correlation for critical property shifts was derived to describe the shift of critical properties in confined spaces. Finally, the capillary pressure effect in confined spaces was considered in the calculation of interfacial tension. Comparison with experimental data or literature data verifies that the extended Patel-Teja EOS exhibits high accuracy when calculating the interfacial tension in confined spaces. It can be used to analyze the influence of temperature, pressure and nanopore size on the interfacial tension of pure substances and binary mixtures. In the CO<sub>2</sub>-CH<sub>4</sub> system, with the increase of pore radius, the growth rate of interfacial tension is 2.25 % in the range of 5 nm to 100 nm. From 100 nm to 1000 nm, the growth rate of interfacial tension is only 0.01 %, and finally it gradually approaches the interfacial tension in unconfined spaces. The study can provide theoretical support for the fluid interfacial behavior in processes such as oil and gas exploitation.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"229 ","pages":"Article 106797"},"PeriodicalIF":4.4,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145271491","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 water oxidation for the destruction of recalcitrant chlorinated organic solvents: Kinetics and chlorine balances 用于破坏顽固性氯化有机溶剂的超临界水氧化：动力学和氯平衡

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-09-27 DOI: 10.1016/j.supflu.2025.106795

Luming Chen, Marc A. Deshusses

{"title":"Supercritical water oxidation for the destruction of recalcitrant chlorinated organic solvents: Kinetics and chlorine balances","authors":"Luming Chen, Marc A. Deshusses","doi":"10.1016/j.supflu.2025.106795","DOIUrl":"10.1016/j.supflu.2025.106795","url":null,"abstract":"<div><div>The reactivity and mineralization of six chlorinated organics (dichloromethane, trichloromethane, chlorobenzene, 2-chlorophenol, 2-chlorobenzoic acid and 1-chloro-2-nitrobenzene) serving as model recalcitrant halogenated pollutants was investigated in a lab-scale supercritical water oxidation (SCWO) reactor. Different reaction conditions (temperature, reaction time, pH, nature of oxidant) were investigated to understand their effects on the mineralization of the organic chlorine to inorganic chloride. Complete or near-complete (>95 %) mineralization was achieved for all compounds, though at different conditions, reflecting their different reactivities. Reactivity generally decreased with increasing chlorine content, and aromatic chlorinated compounds were less reactive to SCWO than aliphatic ones. Electron-donating functional groups enhanced the reactivity of chlorinated aromatics, consistent with proposed reaction mechanisms. The effects of the presence of a co-pollutant and of alkali addition were examined. Isopropanol (IPA) as co-pollutant increased the mineralization rate of 2-chlorophenol but not that of dichloromethane, likely by increasing radical concentrations. NaOH slightly improved mineralization but introduced complications due to salt precipitation on reactor surfaces, potentially affecting both NaOH availability and reactor long-term stability. H<sub>2</sub>O<sub>2</sub> was found to be a more reactive oxidant than oxygen from air, especially for aromatic compounds. Overall, this study demonstrated that SCWO is an effective method for the complete mineralization of organochlorine compounds. It also provided new insights into the reaction kinetics and mechanisms of chlorinated compounds during SCWO.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"228 ","pages":"Article 106795"},"PeriodicalIF":4.4,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145226944","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

Nanoparticulation of curcumin by liquefied dimethyl ether feed solution assisted supercritical carbon dioxide anti-solvent with coaxial nozzle 用同轴喷嘴液化二甲醚进料液辅助超临界二氧化碳抗溶剂制备姜黄素纳米颗粒

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-09-25 DOI: 10.1016/j.supflu.2025.106793

Li Mei, Li Zhu, Tao Wang, Tetsuya Yamamoto

{"title":"Nanoparticulation of curcumin by liquefied dimethyl ether feed solution assisted supercritical carbon dioxide anti-solvent with coaxial nozzle","authors":"Li Mei, Li Zhu, Tao Wang, Tetsuya Yamamoto","doi":"10.1016/j.supflu.2025.106793","DOIUrl":"10.1016/j.supflu.2025.106793","url":null,"abstract":"<div><div>Curcumin is a hydrophobic polyphenolic compound with various pharmacological effects. However, its poor water solubility and bioavailability limit its clinical application. In this study, curcumin nanoparticles were successfully prepared by the supercritical CO<sub>2</sub> anti-solvent (SAS) technique using liquefied dimethyl ether (DME) as the solvent and a coaxial nozzle to promote particle formation. For comparison, curcumin particles were prepared under the same conditions using ethanol as the solvent. The effects of the process parameters, including pressure and temperature, were investigated on the curcumin nanoparticles. Field-emission scanning electron microscopy (FE-SEM) images showed that curcumin nanoparticles with a uniform spherical morphology and an average diameter of < 100 nm were obtained from liquefied DME at 10 MPa and 60 °C. In comparison, curcumin particles precipitated from ethanol at 14 MPa and 50 °C had a larger average size of > 100 nm and broader, less uniform particle size distribution. The smallest nanoparticles precipitated from liquefied DME required a lower pressure than those precipitated from ethanol. X-ray diffraction (XRD) analysis confirmed that the nanoparticles obtained from both liquefied DME and ethanol solutions had an amorphous structure, indicating complete transformation from the crystalline form of the original curcumin. Furthermore, Fourier-transform infrared (FT-IR) spectroscopy revealed no detectable residual solvent in the DME-precipitated nanoparticles, whereas the spectra of the ethanol-precipitated particles showed characteristic peaks corresponding to residual ethanol. This approach provides a promising strategy to improve the solubility and bioavailability of curcumin for pharmaceutical applications.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"228 ","pages":"Article 106793"},"PeriodicalIF":4.4,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145209909","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 deformation on corrosion behavior of T92 and Super 304H heat-resistant steels in supercritical CO2 environment 变形对T92和Super 304H耐热钢在超临界CO2环境中腐蚀行为的影响

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-09-21 DOI: 10.1016/j.supflu.2025.106792

Shuo Wang , Yana Chen , Tingshan Guo , Zhiyuan Liang , Qinxin Zhao

{"title":"Effect of deformation on corrosion behavior of T92 and Super 304H heat-resistant steels in supercritical CO2 environment","authors":"Shuo Wang , Yana Chen , Tingshan Guo , Zhiyuan Liang , Qinxin Zhao","doi":"10.1016/j.supflu.2025.106792","DOIUrl":"10.1016/j.supflu.2025.106792","url":null,"abstract":"<div><div>Supercritical CO<sub>2</sub> power generation has been recognized as a promising high-efficiency, low-carbon technology due to its superior thermal performance and operational flexibility. The deformation of heat-resistant steel tubes during the bending process in heat exchanger manufacturing is an inevitable occurrence. In this study, the corrosion behaviors of T92 and Super 304H steels subjected to 5 %, 10 %, and 15 % deformation were evaluated in a supercritical CO<sub>2</sub> environment at 600 ℃ and 15 MPa. T92 steel exhibited a parabolic corrosion kinetics, with the weight gain decreasing as deformation increased. The deformation was found to enhance Cr diffusion via grain refinement, increasing the proportion and stability of the protective FeCr<sub>2</sub>O<sub>4</sub> film. In contrast, Super 304H steel showed corrosion-induced weight loss due to the spallation of Nb-rich and Fe-rich oxides. The corrosion resistance of Super 304H was highly sensitive to deformation, with 5 % deformation offering optimal performance. Higher deformation levels resulted in aggravated corrosion, attributed to hindered Cr diffusion caused by high dislocation density and residual stress, which promoted the formation of nodular Fe-rich oxides and reduced the integrity of the Cr<sub>2</sub>O<sub>3</sub> protective film.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"228 ","pages":"Article 106792"},"PeriodicalIF":4.4,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155056","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

Understanding into the microstructure and diffusion behaviors of water removal in nanopores of wafer by supercritical carbon dioxide: Experiment and molecular dynamics simulation 超临界二氧化碳在硅片纳米孔中去除水的微观结构和扩散行为：实验和分子动力学模拟

IF 4.4 3区工程技术

Journal of Supercritical Fluids Pub Date : 2025-09-19 DOI: 10.1016/j.supflu.2025.106791

Xinyu Zhuo , Weizhong Zheng , Yisheng Xu , Weizhen Sun , Ling Zhao

{"title":"Understanding into the microstructure and diffusion behaviors of water removal in nanopores of wafer by supercritical carbon dioxide: Experiment and molecular dynamics simulation","authors":"Xinyu Zhuo , Weizhong Zheng , Yisheng Xu , Weizhen Sun , Ling Zhao","doi":"10.1016/j.supflu.2025.106791","DOIUrl":"10.1016/j.supflu.2025.106791","url":null,"abstract":"<div><div>In the fabrication of semiconductor devices, especially wafer processing, drying process constitutes a critical processing step. The continuing reduction of critical dimensions in wafer manufacturing has rendered structural collapse (deformation or bending) induced by conventional wet processing techniques an increasingly severe issue. Supercritical carbon dioxide (scCO₂), owing to its absence of surface tension, demonstrates significant potential as an effective displacement agent and drying medium for nanostructure of wafer. However, the understanding of the underlying drying mechanisms for the residual water in the nanostructure of wafer remains insufficient. Herein, the microstructure and diffusion behaviors of residual water removal in silicon nanopores of wafers in the scCO<sub>2</sub> medium affected by various concentrations of isopropanol (IPA) co-solvent using equilibrium- and non-equilibrium molecular dynamics simulations were studied in details. The increased amount of IPA contributes to the better dispersion of water droplet in the scCO<sub>2</sub> with lower energy barrier of water dissolution. The residual water molecules undergo overall displacement and swelling behaviors during the scCO<sub>2</sub> fluid flooding process. The experimental results indicate that with the increasing treatment time and additive amount of IPA, the residual salt concentrations in the microscale structures less than 10 μm, even below the detection limit of Inductively-Coupled Plasma Optical Emission Spectrometry (ICP-OES), which confirms the effectiveness of supercritical drying of wafer nanopatterns. Furthermore, the drying efficiency shows distinct feature-size dependence. Overall, these findings are of paramount importance to provide fundamental molecular-level insights into water removal processes in micro/nano structures of wafer during drying by scCO<sub>2</sub>.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"228 ","pages":"Article 106791"},"PeriodicalIF":4.4,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145118080","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