Fluid Phase Equilibria最新文献

{"title":"Solubility of nifedipine in twenty-one mono-solvents at various temperatures","authors":"Sina Pakkhesal ,&nbsp;Nastaran Hashemzadeh ,&nbsp;Abolghasem Jouyban","doi":"10.1016/j.fluid.2025.114480","DOIUrl":"10.1016/j.fluid.2025.114480","url":null,"abstract":"<div><div>This study evaluated the solubility of nifedipine in various mono-solvents at temperatures ranging from 293.2 K to 313.2 K and correlating the data with mathematical models. Tetrahydrofuran exhibited the highest solubility at 313.2 K, while 1-octanol showed the lowest at 293.2 K among investigated solvent systems. Polar aprotic solvents showed enhanced solubility, whereas non-polar solvents demonstrated poor solubility. The generated solubility data was mathematically represented using a number of algorithms. An extended version of a previously proposed model provided the best correlation between solubility and the physicochemical properties of the solvents. The obtained mean percentage deviation of this model was 9.89 % (<em>N</em> = 99). Empirical models based on Hildebrand and Hansen solubility parameters provided more accurate predictions particularly for aromatic and polar aprotic solvents. In conclusion, the extended model effectively predicted nifedipine solubility, highlighting the critical role of solvent selection and temperature in enhancing solubility. These findings provide valuable insights for optimizing pharmaceutical processes and improving drug extraction/purification systems and could be recommended for industrial applications.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114480"},"PeriodicalIF":2.8,"publicationDate":"2025-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144195444","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}

{"title":"PC-SAFT-TS-CAF: a revised two state model for pure water and binary aqueous mixtures","authors":"Nefeli Novak,&nbsp;Xiaodong Liang,&nbsp;Georgios M. Kontogeorgis","doi":"10.1016/j.fluid.2025.114475","DOIUrl":"10.1016/j.fluid.2025.114475","url":null,"abstract":"<div><div>Water is one of the most abundant substances on earth, but it is still not entirely understood. &gt;50 of water’s properties show unusual behavior with characteristic extrema, which indicate two distinct regions, where water either behaves like a simple fluid or has anomalous behavior. A possible explanation is the two-state theory of water, that proposes that water forms different clusters, one with high density and one with low density which may even form two distinct phases at low temperatures.</div><div>In a previous work we have derived the framework to incorporate the two-state theory of water in the Statistical-Associating-Fluid-Theory (SAFT), by assuming water is an ideal solution of high-density water molecules (HDW) and low-density water molecules (LDW) which are in chemical equilibrium, thus re-formulating the association term. We have incorporated the new association term in the context of the Perturbed Chain – SAFT (PC-SAFT), arriving to a two-state SAFT Equation of State, PC-SAFT-Two-State (PC-SAFT-TS).</div><div>In this work, we are building upon our previous work and revising the PC-SAFT-TS, by assuming the equilibrium constant between HDW and LDW is only temperature dependent and by fitting specific cross-association parameters between HDW and LDW. The new model, PC-SAFT-TS-cross-association-fitted (CAF) can predict the characteristic extrema of water where water shows anomalous behavior and is superior to the original PC-SAFT. Binary aqueous mixtures are studied with this new framework (water-hydrocarbons and water-alcohols) and PC-SAFT-TS-CAF manages to a) capture the solubility minimum of hydrocarbons in water in a straightforward manner and b) improve water-alcohol vapor-liquid and liquid-liquid equilibria at the temperature range where water behaves as an anomalous liquid.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114475"},"PeriodicalIF":2.8,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144291444","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}

{"title":"Modeling CO₂ solubility in deep eutectic solvents using the saft-vr mie and pc-saft equations of state","authors":"Cleiton S. Beraldo ,&nbsp;Luis A. Follegatti-Romero ,&nbsp;Georgios M. Kontogeorgis ,&nbsp;Xiaodong Liang","doi":"10.1016/j.fluid.2025.114479","DOIUrl":"10.1016/j.fluid.2025.114479","url":null,"abstract":"<div><div>This study presents the first comparison of SAFT-VR Mie and PC-SAFT in modeling CO₂ solubility in Deep Eutectic Solvents (DESs). Experimental density data was used to adjust pure-component parameters (<em>m, σ</em>, and <em>ε</em>) for DESs in the SAFT models, whereas the unlike-segment interaction energy between CO₂ and the DES was either calculated with combining rules or optimized to reproduce experimental solubility data. A simplified Hudson-McCoubrey combining rule (ionization potentials assumed equal), applied for the first time to CO₂–DES systems, was compared with the conventional Lorentz-Berthelot rule. Four hydrophilic and six hydrophobic DESs were modeled as pseudo-pure components, either as non-associating or associating species, following 2B or 4C association schemes in both equations of state. It was found that the Lorentz-Berthelot rule is unsuitable for CO₂–DES phase equilibrium modeling, particularly for hydrophobic DESs, while the Hudson-McCoubrey rule provided excellent agreement with experimental data for both SAFT-VR Mie and PC-SAFT, performing comparably to models with unlike-segment interaction energy obtained empirically. The 2B and 4C association schemes produced accurate solubility predictions and demonstrated slightly superior performance compared to the inert approach, particularly in the case of hydrophobic DESs. Additionally, CO₂ was modeled as either a neutral component or with 2B cross-association with DES, showing no significant difference in results. Finally, Helmholtz energy contributions to the residual pressure of pure hydrophobic DESs were analyzed, revealing that while association effects were minor, they positively influenced CO₂ solubility predictions.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114479"},"PeriodicalIF":2.8,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147770","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}

{"title":"Phase equilibria of the system Isopropanol+Water+Isopropyl Myristate+Myristic acid","authors":"Hernán D. Muñoz ,&nbsp;Nicolás Peña ,&nbsp;María F. Gutiérrez ,&nbsp;Jens-Uwe Repke ,&nbsp;Alvaro Orjuela","doi":"10.1016/j.fluid.2025.114473","DOIUrl":"10.1016/j.fluid.2025.114473","url":null,"abstract":"<div><div>Isopropyl myristate (IMA) is a fatty ester widely used in cosmetic applications, and it is mainly produced by esterification of myristic acid (MA) and isopropanol (IPA), with water (W) as byproduct. Due to chemical equilibrium limitations, various process intensification approaches have been proposed to improve its production; however, they still involve significant uncertainties as they are based on theoretically predicted phase equilibria due to a lack of experimental-based models. Then, the presented study aimed to experimentally characterize the phase equilibrium behavior of mixtures containing IPA, W, IMA, and MA. Vapor-Liquid Equilibrium (VLE) experiments were conducted under isothermal conditions for the binary systems IMA+IPA and MA+IPA within the range of 55–80 °C. Also, Liquid-Liquid Equilibrium (LLE) data for the ternary systems IPA+<em>W</em>+IMA, IPA+<em>W</em>+MA, and <em>W</em>+IMA+MA were measured at temperatures ranging from 60 to 80 °C. Additionally, Solid-Liquid Equilibrium (SLE) data for mixtures of IMA+MA were obtained at temperature in-between 8 and 50 °C, and pure thermal properties of IMA and MA were characterized via Differential Scanning Calorimetry (DSC) and Thermogravimetric analysis (TGA). Using the collected VLE, LLE and SLE experimental data, binary interaction parameters for NRTL model were fitted through optimization. Conflicting requirements in VLE and LLE data were addressed through Pareto front analysis, yielding two new parameters sets: one for predominant VLE description and the other for more accurate LLE representation. These sets of parameters would be suitable for the conceptual design and simulation of sequential and/or simultaneous reaction-separation processes to produce IMA via esterification.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114473"},"PeriodicalIF":2.8,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144167085","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}

{"title":"Confined static microstructures and dynamics of glycerol molecules within sub-2-nm diameter carbon nanotubes: Molecular dynamics study","authors":"Zhiying Zhang ,&nbsp;Mingyu Wei ,&nbsp;Yao Qin ,&nbsp;Wenqiang Wang ,&nbsp;Xinyi Xia ,&nbsp;Xiaohua Lu ,&nbsp;Yudan Zhu","doi":"10.1016/j.fluid.2025.114478","DOIUrl":"10.1016/j.fluid.2025.114478","url":null,"abstract":"<div><div>In this work, molecular dynamics (MD) simulations were performed to investigate the microstructural and dynamical properties of glycerol molecules confined within sub-2-nm diameter carbon nanotubes (CNTs). As the tube diameter increases, the arrangement of confined glycerol molecules transitions from a single-file chain to a single-layer ring, and then to a multi-layer structure. The average self-diffusion coefficient of glycerol molecules within CNTs is found to change from 0.021 × 10^–8 to 4.26 × 10^–8 m²/s. Notably, the relaxed single-file arrangement of glycerol molecules in (8, 8) CNT exhibits the highest self-diffusion (4.26 × 10^–8 m²/s), which is an order of magnitude greater than that observed in aquaglyceroporins. Based on the detailed hydrogen bond (HB) microstructure analysis, we found that the product of average number of HBs (〈<em>n</em>_HB〉) and the percentage of glycerol molecules with two HBs (<em>f</em>₂), and the 1 / average HB lifetime (〈<em>τ</em>_HB〉) can serve as indicators of the self-diffusion coefficients of confined glycerol molecules. A higher 〈<em>n</em>_HB〉 _* <em>f</em>₂ / 〈<em>τ</em>_HB〉 can result in a faster self-diffusion coefficient.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114478"},"PeriodicalIF":2.8,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144147769","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}

{"title":"Density, viscosity, and CO2 solubility properties of solvents composed of tetrabutylammonium bromide and carboxylic acids","authors":"Yuto Ainai,&nbsp;Tomoya Kuramochi,&nbsp;Ayaka Taniguchi,&nbsp;Chiaki Yokoyama,&nbsp;Daisuke Kodama","doi":"10.1016/j.fluid.2025.114476","DOIUrl":"10.1016/j.fluid.2025.114476","url":null,"abstract":"<div><div>Hydrophobic solvent mixtures with low viscosities are promising for industrial gas absorption applications. This study examined the density, viscosity, and CO₂ solubility properties of two hydrophobic solvent mixtures. Mixtures of tetrabutylammonium bromide (TBAB) with hexanoic acid (HA) and octanoic acid (OA) in a molar ratio of 1:3 (denoted as TBAB3HA and TBAB3OA, respectively) were examined. Measurements were performed over the temperature range of 278.15–353.15 K at atmospheric pressure, and high-pressure densities were measured at 298.15, 313.15, and 333.15 K up to 50 MPa. The density and viscosity data were well correlated using a linear equation and the Vogel–Fulcher–Tammann equation, respectively, while the high-pressure densities were described by the Tait equation. Furthermore, the saturated vapor and liquid densities of CO₂, along with its solubility in the TBAB3HA and TBAB3OA systems, were measured at pressures below 8 MPa and at temperatures of 298.15, 313.15, and 333.15 K. The CO₂ solubility was well represented by the Peng–Robinson equation of state. Moreover, a previously developed density-correlation equation was modified to model the pressure–volume–temperature–composition relationship for the CO₂ + TBAB3HA and CO₂ + TBAB3OA systems. This modified equation was further used to determine the partial molar volumes of CO₂ in these solvents, which were analyzed using the Lyckman method to gain insights into CO₂ absorption behavior. Due to their low viscosities and high CO₂ solubilities, TBAB3HA and TBAB3OA are promising candidates for CO₂ capture and storage.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114476"},"PeriodicalIF":2.8,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144331211","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}

{"title":"Experimental study of phase transitions in the CO2 + (Butylcyclohexane + Toluene + Eicosane) system under high-pressure conditions","authors":"Willam Paul Trujillo Vera,&nbsp;Hugo Andersson Dantas Medeiros,&nbsp;Filipe Xavier Feitosa,&nbsp;Hosiberto Batista de Sant’Ana","doi":"10.1016/j.fluid.2025.114474","DOIUrl":"10.1016/j.fluid.2025.114474","url":null,"abstract":"<div><div>The phase behavior of the multicomponent system CO₂ + (butylcyclohexane + toluene + eicosane) was experimentally investigated to improve the understanding of fluid-fluid and fluid-solid equilibria under high-pressure conditions. Phase transitions were observed using a high-pressure PVT equilibrium cell across a CO₂ global composition range from 20.10 mol % to 94.90 mol %, within a temperature range of 286 K–333 K and pressures up to 22.30 MPa. The study identified different phase equilibria, including liquid-liquid (LL), liquid-liquid-solid (LLS), liquid-solid (LS), liquid-liquid-vapor (LLV), and liquid-vapor (LV) equilibria. These transitions were measured through constant composition expansion (CCE) experiments using a visual synthetic static method. The results emphasize the complexity introduced by multicomponent interactions, showing how long-chain paraffins and cyclic hydrocarbons influence CO₂ solubility in aromatic hydrocarbons. Overall, the findings provide important insights into phase behavior, relevant for enhanced oil recovery (EOR) and carbon capture, utilization, and storage (CCUS), and contribute to improving predictive thermodynamic models.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114474"},"PeriodicalIF":2.8,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144116370","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}

{"title":"Developing a fast estimation method for the pH in aqueous solutions made of ILs with protic constituents: The case of choline with amino acid and peptide anions","authors":"Lois Morandeira ,&nbsp;Esther Gutiérrez-Arnillas ,&nbsp;Angeles Sanromán ,&nbsp;Adilson Alves de Freitas ,&nbsp;José N. Canongia Lopes ,&nbsp;Takahiro Ichikawa ,&nbsp;Karina Shimizu","doi":"10.1016/j.fluid.2025.114477","DOIUrl":"10.1016/j.fluid.2025.114477","url":null,"abstract":"<div><div>This work aims to provide simple and fast estimations for the pH of protic Ionic Liquids (ILs) solutions, particularly for those constituted with choline cation ([Ch]⁺) and Amino Acid (AA) or Peptide (Pep) -based anions. pH calculation based on the <em>pK_a</em> of pILs are typically carried-out with <em>a posteriori</em>, after synthesis and measurement, or <em>a priori</em> procedures, through quantum chemical calculations. Here, we adapt the isoelectric point (p<em>I</em>) concept to perform a straightforward pH estimation for an aqueous solution of pILs using the <em>pK_a</em> from their parental ions. Moreover, a library of pH values for 1 M aqueous solution of 14 different in-house synthetized ILs based on AA and Pep is presented, including the first (pH, FTIR and TGA) characterization of some of those solvents. Following the p<em>I</em> approach and using the <em>pK_a</em> of the parental ions, the pH of a 1 M aqueous solution of these ILs has been predicted with suitable accuracy (<em>RMSD</em> ≈ 0.5 units of pH), fulfilling the main estimation purposes of this work. Despite the tabulated <em>pK_a</em> of each molecule being a more suitable input, software able to deploy fast <em>pK_a</em> predictions may be used as well, especially when no experimental values are available, but one must be aware that some systematic errors may appear. In summary, we present a fast and straightforward method able to simplify the pH prediction of pIL aqueous solutions, a matter that can be key in the design of IL-based technologies.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"598 ","pages":"Article 114477"},"PeriodicalIF":2.8,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144131445","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}

{"title":"Prediction of the density of aqueous electrolyte solutions with matrix completion methods","authors":"Maximilian Kohns,&nbsp;Pascal Zittlau,&nbsp;Fabian Jirasek","doi":"10.1016/j.fluid.2025.114454","DOIUrl":"10.1016/j.fluid.2025.114454","url":null,"abstract":"<div><div>Information on the density of electrolyte solutions is important for many processes in chemistry and chemical engineering. However, experimental data are scarce, and broadly applicable prediction methods that can extrapolate to unstudied electrolytes have been unavailable until now. In the present work, we introduce a novel approach for predicting the densities of aqueous solutions of 720 single electrolytes at 298.15 K based on the machine-learning concept of matrix completion. The studied electrolytes belong to the valency classes 1:1, 2:1, 1:2, 3:1, 2:2, and 3:2; individual ion concentrations up to 0.1 mol/mol are considered. We arrange the available density data for these electrolytes composed of 40 cations and 18 anions in a matrix, where the columns and rows denote the cations and anions, respectively. In the literature, experimental data are available for only 181 of all 720 electrolytes. This makes the prediction for the other electrolytes a matrix completion problem, which we address using probabilistic matrix factorization. To account for the concentration dependence of the density, a dimensionality reduction is carried out by representing the density as a linear function of the mole fraction-based ionic strength, a correlation found to be very accurate for all considered electrolytes. As a result, a sparse matrix containing the scalar slope of that linear function is obtained. Two matrix completion methods (MCMs) are introduced: a purely data-driven one trained only on the available density data and a hierarchical model that includes the ions’ valencies as side information. The performance of both models is evaluated on unseen test data, with the hierarchical MCM providing very accurate predictions: When averaging the relative deviations for all density data points for a certain electrolyte, an average deviation of 0.96 % is obtained. Moreover, we show that the MCM parameters learned during training are physically interpretable, as their values align with descriptors such as an ion’s charge density.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"597 ","pages":"Article 114454"},"PeriodicalIF":2.8,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144098849","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}

{"title":"Linking experimental H2O vapor adsorption on biomass char with physicochemical char properties and MD simulation","authors":"Tim Eisenbach ,&nbsp;Babak Farhadi Jahromi ,&nbsp;Vanessa Angenent ,&nbsp;Christin Pflieger ,&nbsp;Martin Muhler ,&nbsp;Rochus Schmid ,&nbsp;Carsten Wedler ,&nbsp;Roland Span","doi":"10.1016/j.fluid.2025.114460","DOIUrl":"10.1016/j.fluid.2025.114460","url":null,"abstract":"<div><div>The adsorption of H₂O vapor on biomass char particles is gravimetrically measured in a temperature range of 298.15<!--> <!-->K to 323.15<!--> <!-->K. The results are correlated to results of a comprehensive structural and chemical char analysis using N₂ and CO₂ physisorption measurements with corresponding 2D-NLDFT models and temperature-programmed desorption measurements (TPD) for the detection of oxygen-containing functional groups (OFG). The adsorption isotherms of a highly porous and unfunctionalized model char show a distinct type V shape for hydrophobic, microporous materials, which is in accordance with its structural and chemical properties. In contrast, results for a highly functionalized model char show type II isotherm characteristics with high adsorption capacity at low H₂O concentrations. The adsorption behavior of a beechwood char with a conversion history aligns more closely with that of the unfunctionalized model char, exhibiting differences that correlate with its less pronounced pore structure and higher proportion of OFG. Molecular dynamics (MD) simulations of ideal slit pores were conducted to confirm distinct effects and tendencies found in the H₂O adsorption measurements with respect to outstanding char properties. The simulations confirm a strong binding tendency of H₂O molecules to OFG, especially for comparably low H₂O densities as well as a contribution of the confinement effect in small pores to the overall adsorption capacity.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"597 ","pages":"Article 114460"},"PeriodicalIF":2.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144068151","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}