Fluid Phase Equilibria最新文献

{"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":"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}

{"title":"A hybrid strategy for solving cubic equations of state based on a novel root discriminant method","authors":"Jun Zhao ,&nbsp;Luoyu Zhang ,&nbsp;Lili Wang ,&nbsp;Yushi Chen ,&nbsp;Wenying Zhao ,&nbsp;Shaohui Tao ,&nbsp;Shuguang Xiang","doi":"10.1016/j.fluid.2025.114466","DOIUrl":"10.1016/j.fluid.2025.114466","url":null,"abstract":"<div><div>The cubic equations of state (CEoS) is one of the most fundamental and popular models in chemical process simulation. This study aims to explore the impact of CEoS solution methods on the speed of process simulation and propose a simple and fast method to determine the single real root of CEoS at a single-phase state. Utilizing the advantages of this method, a hybrid CEoS solution strategy based on Cardano-Tartáglia’s formula and Newton-Raphson method (HCTNR) was developed. The average computation time is approximately 37 % of that of the Cardano-Tartáglia’s formula. The calculation speed of the new method is faster than that of the well-known Halley's method. Extensive examples of chemical process simulation were used to verify the speed and robustness of this method, and the results indicate that HCTNR can effectively improve the speed of process simulation while ensuring the accuracy of the calculation results.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"597 ","pages":"Article 114466"},"PeriodicalIF":2.8,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143943098","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":"Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) for Mixtures: Phase Equilibria","authors":"Joshua Marx ,&nbsp;Kai Langenbach","doi":"10.1016/j.fluid.2025.114453","DOIUrl":"10.1016/j.fluid.2025.114453","url":null,"abstract":"<div><div>Predicting the phase equilibria of mixtures with thermodynamic equations of state (EOS) based on the perturbation theory approach is often challenging. In particular, when combining pure components with different polar properties, state-dependent parameters are often required to achieve a satisfactory description of the phase behavior. A likely reason for this is that EOS typically do not take the changes in the intermolecular fluid structure that result from the polar interactions into account. Instead it is assumed that the fluid retains the structure of a simpler reference fluid, e.g. a hard sphere fluid. The Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) was developed to address this challenge. Within the framework of COFFEE the dipolar contribution to the free energy is separated into a near field and a far field contribution. Within the near field, which corresponds roughly to the first coordination shell around a central particle, the free energy is expanded around the fully perturbed state which makes it possible to consider the preferential orientations between neighboring particles directly. For this purpose, the free energy is formulated as a functional of the orientation distribution function (ODF), which describes mutual orientations in a statistical way. The far field is handled as in classic perturbation theories. COFFEE is based on the Stockmayer (ST) model fluid which consists of a Lennard Jones (LJ) fluid with a superimposed point dipole. COFFEE has been used to describe and predict the ODF in pure ST fluids and mixtures containing ST fluids with both central and decentral dipoles. Furthermore, COFFEE can accurately describe the phase behavior of these fluids as well as simple real fluids like hydrogen chloride while showing improvements over comparable approaches. In this contribution, the far field contribution of COFFEE is newly parametrized. This is necessary because the near field contribution was adjusted in previous work. COFFEE is then employed to predict the vapor-liquid equilibria (VLE) of mixtures containing ST, shifted ST (sST, decentral dipole) and LJ fluids. Results are compared to molecular simulation data and show improvements over a comparable EOS in several cases. Finally, the VLE for the three binary mixtures of acetone, acetonitrile, and methanol is calculated and compared to experimental results and results obtained with PCP-SAFT. COFFEE predicts the VLE of mixtures containing methanol more accurately than PCP-SAFT while being slightly less accurate for the acetone-acetonitrile mixture.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"597 ","pages":"Article 114453"},"PeriodicalIF":2.8,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105932","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":"Enhancing swelling kinetics of pNIPAM lyogels: The role of crosslinking, copolymerization, and solvent","authors":"Kathrin Marina Eckert ,&nbsp;Jelisa Bonsen ,&nbsp;Anja Hajnal ,&nbsp;Johannes Gmeiner ,&nbsp;Jonah Hasse ,&nbsp;Muhammad Adrian ,&nbsp;Julian Karsten ,&nbsp;Patrick A. Kißling ,&nbsp;Alexander Penn ,&nbsp;Bodo Fiedler ,&nbsp;Gerrit A. Luinstra ,&nbsp;Irina Smirnova","doi":"10.1016/j.fluid.2025.114462","DOIUrl":"10.1016/j.fluid.2025.114462","url":null,"abstract":"<div><div>Stimuli-responsive lyogels are known for their ability to undergo significant macroscopic changes when exposed to external stimuli. While thermo-responsive gels, such as poly-N-isopropylacrylamide (pNIPAM), have been extensively studied across various applications, solvent-induced swelling has predominantly been investigated in aqueous solutions. This study explores the tailoring of lyogel formulations for future applications by controlling their solvent-induced swelling behavior, comparing both homopolymeric and semi-interpenetrating polymer networks (semi-IPNs). It is structured in two parts: the first focuses on characterization techniques, including NMR relaxometry, swelling degree measurements, mechanical testing, and SEM analysis, while the second part delves into swelling kinetic analysis, applying solvent exchange as a stimulus for varying gel formulations and solvents. In contrast to most previous studies, the impact of chemical and physical crosslinking, as well as copolymer inclusion, on the swelling behavior and mechanical properties of lyogels in organic solvents is examined and compared with solvent-induced swelling kinetics measurements. The results demonstrate that increasing chemically crosslinking in homopolymers and physically crosslinking in semi-IPNs enhances mechanical stability, while improving mass transport properties and solvent exchange kinetics. However, increases degree of crosslinking results in a prolonged response time to the solvent exchange stimulus and a reduction in the overall swelling capacity of the lyogels. Furthermore, variations in solvent properties, including molecular size and diffusion rates, significantly influence the swelling kinetics, whereas smaller, faster-diffusing solvents leading to more pronounced solvent spillage effects. Our findings highlight the complex interplay between gel formulation, network structure, and solvent nature in determining the solvent-induced swelling kinetics of lyogels, providing insights into how these materials can be tailored for specific applications especially those requiring short response times and optimized mechanical properties.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"597 ","pages":"Article 114462"},"PeriodicalIF":2.8,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922164","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}