Journal of Supercritical Fluids最新文献

英文中文

Phase behavior of carbon dioxide/dioctyl phthalate and trioctyl trimellitate systems

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-03-06 DOI: 10.1016/j.supflu.2025.106589

Hiroaki Matsukawa, Katsuto Otake

Phthalate plasticizers, which are widely used as general-purpose plasticizers for polyvinyl chloride (PVC), have been identified as harmful to human health. This has created a pressing need to separate these substances from PVC products. In addition, the potential contamination of trioctyl trimellitate (TOTM), an alternative to phthalate plasticizers, with dioctyl phthalate (DOP) cannot be overlooked. Supercritical carbon dioxide (scCO₂) has been proposed as a solvent for extracting and separating these compounds; therefore, understanding the phase behavior of these systems is critical for optimizing the process design. This study investigated the phase behavior of CO₂/DOP and CO₂/TOTM binary systems using a synthetic method combined with a laser displacement technique to measure the movement of the piston in a high-pressure vessel. The phase boundaries were determined over temperature and CO₂ mole fraction ranges of (313–373) K and (0.2–0.9), respectively. The vapor–liquid equilibria of the two experimentally obtained binary systems were correlated using the Sanchez-Lacombe equation of state. The one- and two-parameter mixing rules were tested, with better correlation over a wide composition range achieved using the two-parameter mixing rule. The results of this study imply that while separating DOP and TOTM using scCO₂ may be challenging, scCO₂ shows great potential as an extraction solvent for both plasticizers.

{"title":"Phase behavior of carbon dioxide/dioctyl phthalate and trioctyl trimellitate systems","authors":"Hiroaki Matsukawa, Katsuto Otake","doi":"10.1016/j.supflu.2025.106589","DOIUrl":"10.1016/j.supflu.2025.106589","url":null,"abstract":"<div><div>Phthalate plasticizers, which are widely used as general-purpose plasticizers for polyvinyl chloride (PVC), have been identified as harmful to human health. This has created a pressing need to separate these substances from PVC products. In addition, the potential contamination of trioctyl trimellitate (TOTM), an alternative to phthalate plasticizers, with dioctyl phthalate (DOP) cannot be overlooked. Supercritical carbon dioxide (scCO<sub>2</sub>) has been proposed as a solvent for extracting and separating these compounds; therefore, understanding the phase behavior of these systems is critical for optimizing the process design. This study investigated the phase behavior of CO<sub>2</sub>/DOP and CO<sub>2</sub>/TOTM binary systems using a synthetic method combined with a laser displacement technique to measure the movement of the piston in a high-pressure vessel. The phase boundaries were determined over temperature and CO<sub>2</sub> mole fraction ranges of (313–373) K and (0.2–0.9), respectively. The vapor–liquid equilibria of the two experimentally obtained binary systems were correlated using the Sanchez-Lacombe equation of state. The one- and two-parameter mixing rules were tested, with better correlation over a wide composition range achieved using the two-parameter mixing rule. The results of this study imply that while separating DOP and TOTM using scCO<sub>2</sub> may be challenging, scCO<sub>2</sub> shows great potential as an extraction solvent for both plasticizers.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"222 ","pages":"Article 106589"},"PeriodicalIF":3.4,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580098","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modeling of supercritical hydrogen thermodynamic properties using cubic and SAFT type equations of state

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-03-06 DOI: 10.1016/j.supflu.2025.106588

Arash Pakravesh , Amir H. Mohammadi , Dominique Richon

Hydrogen, recognized as a future fuel, is considered one of the most sustainable energy sources. Accurate prediction of its thermophysical properties, particularly at high pressures, is essential for the design and development of industrial applications. Equations of state (EoSs), as practical tools for thermodynamic modeling, provide a reliable means of predicting hydrogen's thermodynamic properties. However, due to the variety of available EoSs comparing their performance in predicting the thermodynamic behavior of supercritical hydrogen can help optimize their application in real systems. This study assessed the accuracy of the PR, SRK, Quantum-corrected PR (QPR), three versions of the PρT-SAFT, and five versions of the PC-SAFT EoSs in predicting the thermodynamic properties of supercritical hydrogen under a vast range of pressures (10–2000 MPa) and temperatures (100–1000 K), including volumetric properties, caloric properties, and the Joule-Thomson effect. Additionally, the accuracy of SAFT type EoSs in reproducing hydrogen’s critical point was evaluated, revealing that the rescaled versions of PρT-SAFT EoS yield the most precise predictions of hydrogen's thermodynamic properties. Additionally, a comparison of SAFT and QPR type EoSs for predicting hydrogen's saturated thermodynamic properties shows that QPR performs best. Lastly, the ability of all eleven EoSs to accurately describe the thermodynamic properties of supercritical hydrogen in a limited range of pressures (10–100 MPa) and temperatures (100–400 K), which are more relevant to industrial applications, were investigated and compared with molecular dynamics simulation results. In these regions, the EoSs show promising results, with SRK and PρT-SAFT delivering the best performance.

{"title":"Modeling of supercritical hydrogen thermodynamic properties using cubic and SAFT type equations of state","authors":"Arash Pakravesh , Amir H. Mohammadi , Dominique Richon","doi":"10.1016/j.supflu.2025.106588","DOIUrl":"10.1016/j.supflu.2025.106588","url":null,"abstract":"<div><div>Hydrogen, recognized as a future fuel, is considered one of the most sustainable energy sources. Accurate prediction of its thermophysical properties, particularly at high pressures, is essential for the design and development of industrial applications. Equations of state (EoSs), as practical tools for thermodynamic modeling, provide a reliable means of predicting hydrogen's thermodynamic properties. However, due to the variety of available EoSs comparing their performance in predicting the thermodynamic behavior of supercritical hydrogen can help optimize their application in real systems. This study assessed the accuracy of the PR, SRK, Quantum-corrected PR (QPR), three versions of the PρT-SAFT, and five versions of the PC-SAFT EoSs in predicting the thermodynamic properties of supercritical hydrogen under a vast range of pressures (10–2000 MPa) and temperatures (100–1000 K), including volumetric properties, caloric properties, and the Joule-Thomson effect. Additionally, the accuracy of SAFT type EoSs in reproducing hydrogen’s critical point was evaluated, revealing that the rescaled versions of PρT-SAFT EoS yield the most precise predictions of hydrogen's thermodynamic properties. Additionally, a comparison of SAFT and QPR type EoSs for predicting hydrogen's saturated thermodynamic properties shows that QPR performs best. Lastly, the ability of all eleven EoSs to accurately describe the thermodynamic properties of supercritical hydrogen in a limited range of pressures (10–100 MPa) and temperatures (100–400 K), which are more relevant to industrial applications, were investigated and compared with molecular dynamics simulation results. In these regions, the EoSs show promising results, with SRK and PρT-SAFT delivering the best performance.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"222 ","pages":"Article 106588"},"PeriodicalIF":3.4,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Multiscale simulation of polyethylene dissolution and dispersion for flash pressure release spinning solutions

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-03-06 DOI: 10.1016/j.supflu.2025.106587

Jiacheng Zhu, Jin Wen, Chao Jia, Meifang Zhu

In this study, the dissolution behavior of the carbon dioxide-polyethylene system is investigated under various conditions using molecular dynamics (MD) simulations. In addition, the dispersion behavior of polyethylene particles in the solvent is examined across different processes using computational fluid dynamics (CFD) simulations. The results indicate that optimal dissolution is achieved by incorporating carbon dioxide, ethanol, acetone, and toluene at molar ratio of 90:3:3:4 under pressure of 30 MPa and temperature of 440 K. The dissolution mechanism is primarily attributed to the strong hydrogen bonding interactions between ethanol and acetone. In terms of agitation, effective dispersion during particle mixing can be achieved by reducing the installation distance to 5 cm, decreasing relative distance to 3 cm, increasing agitation speed to 10 rad s⁻¹, and installing eight baffles in the vessel. These multiscale simulation findings provide key insights for the solution preparation of the flash pressure release spinning.

引用次数: 0

Crevice corrosion mechanism of L80-13Cr in Cl- containing supercritical CO2 water-rich phase considering the influence of SO2

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-03-05 DOI: 10.1016/j.supflu.2025.106577

Yu Yuan , Chen Li , Yongyang Zhao , Fengyu Zhang , Yong Xiang

Given that casing materials in CO₂ enhanced oil recovery (EOR) and sequestration processes are exposed to corrosive environments formed by supercritical CO₂ and Cl^–-containing water, with the crevice sensitivity yet to be fully understood, this study investigated the crevice corrosion susceptibility of L80-13Cr in Cl^–-containing supercritical CO₂ water-rich phases using high-pressure autoclave immersion tests. The potential impact of SO₂ impurities in the injected carbon dioxide was also considered. The results revealed that L80-13Cr was at risk of crevice corrosion, which was further promoted by lower pH levels and the presence of SO₂. The severity of corrosion within the crevice was associated with the concentration of cathodic depolarizers in the bulk solution and the stability of the passive film. These findings underscored the necessity of studying crevice corrosion susceptibility and accounting for the influence of impurities in the carbon source under CO₂-EOR and sequestration conditions.

{"title":"Crevice corrosion mechanism of L80-13Cr in Cl- containing supercritical CO2 water-rich phase considering the influence of SO2","authors":"Yu Yuan , Chen Li , Yongyang Zhao , Fengyu Zhang , Yong Xiang","doi":"10.1016/j.supflu.2025.106577","DOIUrl":"10.1016/j.supflu.2025.106577","url":null,"abstract":"<div><div>Given that casing materials in CO<sub>2</sub> enhanced oil recovery (EOR) and sequestration processes are exposed to corrosive environments formed by supercritical CO<sub>2</sub> and Cl<sup>–</sup>-containing water, with the crevice sensitivity yet to be fully understood, this study investigated the crevice corrosion susceptibility of L80-13Cr in Cl<sup>–</sup>-containing supercritical CO<sub>2</sub> water-rich phases using high-pressure autoclave immersion tests. The potential impact of SO<sub>2</sub> impurities in the injected carbon dioxide was also considered. The results revealed that L80-13Cr was at risk of crevice corrosion, which was further promoted by lower pH levels and the presence of SO<sub>2</sub>. The severity of corrosion within the crevice was associated with the concentration of cathodic depolarizers in the bulk solution and the stability of the passive film. These findings underscored the necessity of studying crevice corrosion susceptibility and accounting for the influence of impurities in the carbon source under CO<sub>2</sub>-EOR and sequestration conditions.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"222 ","pages":"Article 106577"},"PeriodicalIF":3.4,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578990","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

Prediction of CO2 solubility in polar aprotic solvents using the PC-SAFT equation of state

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-02-28 DOI: 10.1016/j.supflu.2025.106575

Lisi Niu , Irwanjot Kaur , Anupam Yadav , Fadhil Faez Sead , Reza Shahriari

In this work, the PC-SAFT equation of state (EoS) is used to predict the solubility of CO₂ in polar aprotic solvents (PASs). The PAS molecules are modeled as pseudo–associating molecules to mimic the polar interaction. Four scenarios are considered to study the CO₂ solubility in PASs. In scenario I, the CO₂ and PAS molecules are considered inert molecules (non-associating), in scenario II, the CO₂ molecules are modeled as inert, in scenario III the PAS molecules are considered inert, and in scenario IV all components are modeled as associating molecules. In scenario IV, the cross-association between PAS and CO₂ molecules is considered. The vapor-liquid equilibrium (VLE) of binary systems is predicted without using any additional adjustable parameters. The ARD values of scenarios I to III for all binary systems are almost the same. The average ARD values of scenarios I to III, and IV are about 22.3 %, and 11.6 %, respectively. The results show that by considering the cross-association between CO₂ and PAS the model performance improves dramatically. Therefore, considering non-auto associative molecules as associative ones is a trick that improves the model prediction capability.

{"title":"Prediction of CO2 solubility in polar aprotic solvents using the PC-SAFT equation of state","authors":"Lisi Niu , Irwanjot Kaur , Anupam Yadav , Fadhil Faez Sead , Reza Shahriari","doi":"10.1016/j.supflu.2025.106575","DOIUrl":"10.1016/j.supflu.2025.106575","url":null,"abstract":"<div><div>In this work, the PC-SAFT equation of state (EoS) is used to predict the solubility of CO<sub>2</sub> in polar aprotic solvents (PASs). The PAS molecules are modeled as pseudo–associating molecules to mimic the polar interaction. Four scenarios are considered to study the CO<sub>2</sub> solubility in PASs. In scenario I, the CO<sub>2</sub> and PAS molecules are considered inert molecules (non-associating), in scenario II, the CO<sub>2</sub> molecules are modeled as inert, in scenario III the PAS molecules are considered inert, and in scenario IV all components are modeled as associating molecules. In scenario IV, the cross-association between PAS and CO<sub>2</sub> molecules is considered. The vapor-liquid equilibrium (VLE) of binary systems is predicted without using any additional adjustable parameters. The ARD values of scenarios I to III for all binary systems are almost the same. The average ARD values of scenarios I to III, and IV are about 22.3 %, and 11.6 %, respectively. The results show that by considering the cross-association between CO<sub>2</sub> and PAS the model performance improves dramatically. Therefore, considering non-auto associative molecules as associative ones is a trick that improves the model prediction capability.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"221 ","pages":"Article 106575"},"PeriodicalIF":3.4,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551783","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

Investigation of SO2-induced corrosion of X65 steel in gaseous, liquid, and supercritical CO2 environments through experimental and thermodynamic approaches 通过实验和热力学方法研究二氧化硫诱导 X65 钢在气态、液态和超临界二氧化碳环境中的腐蚀问题

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-02-26 DOI: 10.1016/j.supflu.2025.106574

Xiu Jiang, Xiaoliang Song, Chao Yu, Hui Xie, Dingrong Qu, Jing Hua

Laboratory experiments and thermodynamic simulations were performed at 25 °C (8 MPa) and 35 °C (4, 8 MPa) to investigate the effects of SO₂ on the corrosion of X65 steel and water chemistry during liquid, gaseous, and supercritical CO₂ transportation. Results indicated that less than 100 ppm SO₂ significantly influenced corrosion processes. In the water-saturated CO₂ environment, higher SO₂ concentrations led to elevated general corrosion rates. Interestingly, in the CO₂-saturated water environment, the general corrosion rate decreased at 35°C, 4 and 8 MPa, whereas it increased with rising SO₂ levels at 25°C, 8 MPa. SO₂ worsened water chemistry by reducing the contents of CO₃^2- and HCO₃^-, but enhancing the contents of H⁺, SO₃^2- and HSO₃^-in the CO₂-saturated water phase at each CO₂ phase state. In the gaseous and supercritical CO₂-saturated water environment, a thin or absent corrosion product was observed, with the adsorption of SO₂ and its derivatives being the dominant factor. In the liquid CO₂-saturated water environment, the corrosion product competed with SO₂, HSO₃^-, and SO₃^2- for adsorption sites, accelerating the corrosion rate.

{"title":"Investigation of SO2-induced corrosion of X65 steel in gaseous, liquid, and supercritical CO2 environments through experimental and thermodynamic approaches","authors":"Xiu Jiang, Xiaoliang Song, Chao Yu, Hui Xie, Dingrong Qu, Jing Hua","doi":"10.1016/j.supflu.2025.106574","DOIUrl":"10.1016/j.supflu.2025.106574","url":null,"abstract":"<div><div>Laboratory experiments and thermodynamic simulations were performed at 25 °C (8 MPa) and 35 °C (4, 8 MPa) to investigate the effects of SO<sub>2</sub> on the corrosion of X65 steel and water chemistry during liquid, gaseous, and supercritical CO<sub>2</sub> transportation. Results indicated that less than 100 ppm SO<sub>2</sub> significantly influenced corrosion processes. In the water-saturated CO<sub>2</sub> environment, higher SO<sub>2</sub> concentrations led to elevated general corrosion rates. Interestingly, in the CO<sub>2</sub>-saturated water environment, the general corrosion rate decreased at 35°C, 4 and 8 MPa, whereas it increased with rising SO<sub>2</sub> levels at 25°C, 8 MPa. SO<sub>2</sub> worsened water chemistry by reducing the contents of CO<sub>3</sub><sup>2-</sup> and HCO<sub>3</sub><sup>-</sup>, but enhancing the contents of H<sup>+</sup>, SO<sub>3</sub><sup>2-</sup> and HSO<sub>3</sub><sup>-</sup>in the CO<sub>2</sub>-saturated water phase at each CO<sub>2</sub> phase state. In the gaseous and supercritical CO<sub>2</sub>-saturated water environment, a thin or absent corrosion product was observed, with the adsorption of SO<sub>2</sub> and its derivatives being the dominant factor. In the liquid CO<sub>2</sub>-saturated water environment, the corrosion product competed with SO<sub>2</sub>, HSO<sub>3</sub><sup>-</sup>, and SO<sub>3</sub><sup>2-</sup> for adsorption sites, accelerating the corrosion rate.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"221 ","pages":"Article 106574"},"PeriodicalIF":3.4,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143527035","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

Preparation of ultrathin two-dimensional nanosheet Ni/TiO2-SC catalyst and their catalytic performance in the liquid-phase hydrogenation of maleic anhydride

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-02-26 DOI: 10.1016/j.supflu.2025.106573

Yin Zhang, Wei Wei, Chengliang Wang, Di Zhang, Haitao Li, Dongjie Zhang, Yue Zhang

An ultrathin two-dimensional (2D) nanosheet Ni/TiO₂-SC catalyst was synthesised through supercritical ethanol stripping, using Ni-Ti-layered double hydroxide (NiTi-LDH) as the precursor. Characterisation of the catalysts was conducted using XRD, N₂ physical adsorption–desorption, SEM, HR–TEM, AFM, H₂–TPD, XPS, and EPR to evaluate their catalytic activity for the liquid-phase hydrogenation of maleic anhydride (MA). The catalytic performance of Ni/TiO₂-SC was compared with that of the Ni/TiO₂ catalyst without supercritical stripping. Results indicated that the Ni/TiO₂-SC catalysts featured a two-dimensional nanosheet structure with enhanced active metal dispersion and a high density of oxygen vacancies (OV) on the surface, showing superior CC hydrogenation and CO hydrogenolysis activities.

引用次数: 0

Sustainable extraction of bioactive compounds from Vismia guianensis based on the principles of green chemistry

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-02-24 DOI: 10.1016/j.supflu.2025.106562

Kriptsan Abdon Poletto Diel , Leandro Martins Siqueira , Pablo Pitol Silveira , Júlia Maier Labes , Mariana Koetz , Lucas Cardoso Marinho , Eduardo Cassel , Rubem Mário Figueiró Vargas , Gilsane Lino von Poser

Vismia guianensis (Aubl.) Choisy (Hypericaceae), a medicinal plant prevalent in the Amazon Forest region, presents anthraquinones as the main compounds. This study aims to compare the chemical composition of extracts obtained using organic solvents and supercritical CO₂ (scCO₂) under varying conditions. Additionally, mathematical models were applied to predict extraction kinetics. The results indicated that the extracts contained vismiaquinone A and physcion, among other minor anthraquinones, with scCO₂ proving to be more efficient in extracting both compounds. Notably, scCO₂ exhibited a higher selectivity for vismiaquinone A, yielding remarkably greater amounts. The mathematical modeling confirmed the consistency between the response surface method and the experimental data. In addition to demonstrating the effectiveness of an environmentally friendly extraction method, this research aims to add value to a medicinal plant widely used in Brazil, yet underexplored for its pharmacological and economic potential.

{"title":"Sustainable extraction of bioactive compounds from Vismia guianensis based on the principles of green chemistry","authors":"Kriptsan Abdon Poletto Diel , Leandro Martins Siqueira , Pablo Pitol Silveira , Júlia Maier Labes , Mariana Koetz , Lucas Cardoso Marinho , Eduardo Cassel , Rubem Mário Figueiró Vargas , Gilsane Lino von Poser","doi":"10.1016/j.supflu.2025.106562","DOIUrl":"10.1016/j.supflu.2025.106562","url":null,"abstract":"<div><div><em>Vismia guianensis</em> (Aubl.) Choisy (Hypericaceae), a medicinal plant prevalent in the Amazon Forest region, presents anthraquinones as the main compounds. This study aims to compare the chemical composition of extracts obtained using organic solvents and supercritical CO<sub>2</sub> (scCO<sub>2</sub>) under varying conditions. Additionally, mathematical models were applied to predict extraction kinetics. The results indicated that the extracts contained vismiaquinone A and physcion, among other minor anthraquinones, with scCO<sub>2</sub> proving to be more efficient in extracting both compounds. Notably, scCO<sub>2</sub> exhibited a higher selectivity for vismiaquinone A, yielding remarkably greater amounts. The mathematical modeling confirmed the consistency between the response surface method and the experimental data. In addition to demonstrating the effectiveness of an environmentally friendly extraction method, this research aims to add value to a medicinal plant widely used in Brazil, yet underexplored for its pharmacological and economic potential.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"221 ","pages":"Article 106562"},"PeriodicalIF":3.4,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551826","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

CO2 trapping mechanism in deep saline aquifers under the control of composite geological factors: A numerical case study in China

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-02-17 DOI: 10.1016/j.supflu.2025.106547

Xiaoyuan Li , Gaofan Yue

The increasingly intensifying global climatic change necessitates carbon capture and storage. Reservoir physical properties including porosity, permeability, temperature, and pressure directly control the spatial migration, storage forms, and storage capacity of CO₂ in saline aquifers. Based on China’s first CCS demonstration project in saline aquifers, this study constructed a water-CO₂-thermal-chemical coupling model for long-term CCS in reservoirs. The results indicate that the deep saline aquifers in the Ordos Basin are favorable for CO₂ mineral trapping, with a mineralization storage amount reaching up to 64.02 % of the total injection amount at 1000 years. Temperature is identified as the most significant factor influencing safe CO₂ mineral trapping under CO₂ injection. The study not only provides valuable insights into the mechanisms of CO₂ trapping but also lays a foundation for optimizing the design of ongoing CCS projects and evaluating site suitability for future projects, facilitating progress toward China's carbon neutrality target.

{"title":"CO2 trapping mechanism in deep saline aquifers under the control of composite geological factors: A numerical case study in China","authors":"Xiaoyuan Li , Gaofan Yue","doi":"10.1016/j.supflu.2025.106547","DOIUrl":"10.1016/j.supflu.2025.106547","url":null,"abstract":"<div><div>The increasingly intensifying global climatic change necessitates carbon capture and storage. Reservoir physical properties including porosity, permeability, temperature, and pressure directly control the spatial migration, storage forms, and storage capacity of CO<sub>2</sub> in saline aquifers. Based on China’s first CCS demonstration project in saline aquifers, this study constructed a water-CO<sub>2</sub>-thermal-chemical coupling model for long-term CCS in reservoirs. The results indicate that the deep saline aquifers in the Ordos Basin are favorable for CO<sub>2</sub> mineral trapping, with a mineralization storage amount reaching up to 64.02 % of the total injection amount at 1000 years. Temperature is identified as the most significant factor influencing safe CO<sub>2</sub> mineral trapping under CO<sub>2</sub> injection. The study not only provides valuable insights into the mechanisms of CO<sub>2</sub> trapping but also lays a foundation for optimizing the design of ongoing CCS projects and evaluating site suitability for future projects, facilitating progress toward China's carbon neutrality target.</div></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"221 ","pages":"Article 106547"},"PeriodicalIF":3.4,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143489035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Valorization of cocoa bean shell residue from supercritical fluid extraction through hydrothermal carbonization for porous material production

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids

Pub Date : 2025-02-17 DOI: 10.1016/j.supflu.2025.106550

Ji Sun Lim , Seung Eun Lee , Bonggeun Shong , Young-Kwon Park , Hong-shik Lee

This study investigated the potential for high-value utilization of cocoa shell (CS) residues derived from supercritical fluid extraction (SFE) by converting them into hydrochar through hydrothermal carbonization (HTC) and activation (A-HTC). Hydrochar produced from residues extracted with water as a co-solvent exhibited the highest carbon content (78.7 %) after HTC and activation, highlighting the critical role of the co-solvent in optimizing dehydrogenation and dehydration reactions. Structural analysis revealed that residues rich in water-soluble components formed smaller pores, whereas lipid-rich residues formed larger pores. Activated hydrochar obtained from water-extracted residues demonstrated the largest surface area (315 m²/g) and pore diameter (7.10 nm), indicating mesoporous properties suitable for adsorption applications. The Van Krevelen diagram confirmed that HTC hydrochar stability improved through condensation and aromatization processes. By integrating SFE with HTC, this study presents a systematic approach for converting by-products into high-value hydrochar, offering a sustainable solution for resource recycling and utilization.

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