Fluid Phase Equilibria最新文献

{"title":"Liquid-liquid equilibria of biodiesel + glycerol and biodiesel + water binary systems","authors":"Sebastiano Tomassetti ,&nbsp;Giovanni Di Nicola ,&nbsp;Fabio Polonara ,&nbsp;Matteo Moglie ,&nbsp;Giulio Santori","doi":"10.1016/j.fluid.2025.114431","DOIUrl":"10.1016/j.fluid.2025.114431","url":null,"abstract":"<div><div>The liquid-liquid equilibria (LLE) of the biodiesel + glycerol and biodiesel + water binary systems are experimentally measured at atmospheric pressure and in the temperature range from 310.35 K to 338.15 K, conditions relevant to the industrial process, solving the experimental challenges related to their direct measurement. The LLE data of these binary systems are pivotal for designing the biodiesel purification processes and determine the chemical equilibrium constant of the transesterification reaction of vegetable oil into biodiesel. However, unlike to the present study, this information is typically indirectly extrapolated from models regressed on ternary systems, undermining the reliability of the results. The experimental data were compared against the calculations provided by the UNIQUAC and UNIFAC models, with the binary interactions parameters (BIPs) of the UNIQUAC model validated on the experimental data. To ensure a thermodynamically consistent representation of the phase behaviour and smooth the experimental scattering of trace components, the BIPs are regressed by means of an algorithm that considers the experimental uncertainty. The results are compared with LLE data for biodiesel + glycerol and biodiesel + water from ternary systems measured by other laboratories.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114431"},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696827","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}

{"title":"Structure and interfacial thermodynamics of model fluids with the repulsive and attractive potentials","authors":"Seanea Jang ,&nbsp;Ghi Ryang Shin ,&nbsp;See Jo Kim","doi":"10.1016/j.fluid.2025.114422","DOIUrl":"10.1016/j.fluid.2025.114422","url":null,"abstract":"<div><div>We have extended the density functional approach proposed by Kim et al. (2011) for the higher-order perturbative contributions to study the structural and interfacial properties of hard-core Yukawa and Jagla fluids with the repulsive and attractive potentials. The higher-order perturbative contributions have been estimated by using the weighted-density approximation and the bulk pressure of model fluids. The new functional has been utilized to compute the particle density distribution, compressibility factor, and phase coexistence curve within the nanopores. The calculated results illustrate that for the hard-core Yukawa (HCY) fluid, the present theory provides a significant improvement over other approximations proposed by Kim et al. (2011) and based on the second-order perturbative term even for the low temperatures and predicts a surface-induced liquid–vapor phase transition within the nanopore. The present theory predicts the interfacial properties of the Jagla fluid characterized by the repulsive ramp and attractive ramp potentials well, and provides better results than the two-reference model proposed by Gußmann et al. (2020). However, the accuracy between the theory and simulation results for the Jagla fluid slightly deteriorates at low bulk density due to the relatively strong repulsive interaction between particles.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114422"},"PeriodicalIF":2.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682470","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":"Polymer solutions in supercritical fluids: Their flow behavior compared to that in normal solvents","authors":"Rüdiger Mertsch ,&nbsp;Bernhard A. Wolf","doi":"10.1016/j.fluid.2025.114430","DOIUrl":"10.1016/j.fluid.2025.114430","url":null,"abstract":"<div><div>The dissimilar flow behavior of polymer solutions in super critical fluids, as compared with that in normal solvents, are primarily resulting from the great differences in the free volume of the pure solvents. The present analysis compares the generalized intrinsic viscosities {<em>η</em>} and the average shear overlap parameters for the two types of solvent. {<em>η</em>} depends on the polymer concentration <em>c</em>; it starts from the intrinsic viscosity [<em>η</em>] at infinite dilution and ends at the intrinsic bulkiness in the limit of the pure polymer. The overlap parameter states the average number of polymer molecules that flow together under given conditions. With regard to these parameters, super critical fluids differ from normal solvents in the following manner: [<em>η</em>] is much less, the intrinsic bulkiness much larger and {<em>η</em>} (<em>c</em>) runs through a deep minimum; in addition the cross-over concentration, separating the solvent dominated from the polymer dominated flow regime, is much higher. Another fundamental dissimilarity is the change in the enthalpy of mixing with increasing <em>c</em> from exothermic to endothermic. The above features explain, why super critical fluids have numerous advantages (like viscosities that remain very low even at high polymer concentrations) over conventional solvents and why they are used for the modification and synthesis of high-molecular substances.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"596 ","pages":"Article 114430"},"PeriodicalIF":2.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143725049","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}

{"title":"Thermal and mutual diffusivities in binary mixtures of alkanes with dissolved gases by dynamic light scattering (DLS)","authors":"Chathura J. Kankanamge ,&nbsp;Paul Damp ,&nbsp;Thomas M. Koller ,&nbsp;Michael H. Rausch ,&nbsp;Dominik Krug ,&nbsp;Wolfgang Schröder ,&nbsp;Tobias Klein ,&nbsp;Andreas P. Fröba","doi":"10.1016/j.fluid.2025.114429","DOIUrl":"10.1016/j.fluid.2025.114429","url":null,"abstract":"<div><div>This work presents thermal diffusivities <em>a</em> and Fick diffusion coefficients <em>D</em>₁₁ of binary mixtures of the alkanes <em>n</em>-pentane, <em>n</em>-decane, <em>n</em>-hexadecane, or squalane (2,6,10,15,19,23-hexamethyltetracosane) with dissolved carbon dioxide (CO₂) or propane by dynamic light scattering (DLS). The investigations are performed over a temperature range from (293 to 393) K and cover a wide composition range from infinite dilution of the dissolved gas up to an amount fraction of the gas of 0.69. Using DLS, <em>D</em>₁₁ and <em>a</em> are accessed with average expanded experimental uncertainties (coverage factor <em>k</em> = 2) of (6.6 and 7.6)%. The results from this work are compared to the few experimental data available in the literature and are used to investigate the influences of the thermodynamic state and of the characteristics of the solvent and solute molecules on both transport properties. For all investigated binary mixtures, the influence of the dissolved gas on <em>a</em> is found to be small since most data agree with <em>a</em> of the pure solvent within combined uncertainties. The composition-dependent trend for <em>D</em>₁₁ varies strongly for the different binary mixtures, where both an increase or decrease with increasing amount fraction of the dissolved gas can be observed. For <em>D</em>₁₁ at infinite dilution, two prediction models from the literature are tested. While both models are able to qualitatively predict the temperature-dependent trend of <em>D</em>₁₁, the relative deviation of the predicted <em>D</em>₁₁ from the present experimental results varies strongly for the different mixtures between (9 and 95)%.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"596 ","pages":"Article 114429"},"PeriodicalIF":2.8,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143706001","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}

{"title":"Multi-objective optimization of PC-SAFT parameters for ionic liquids from density and viscosity data using entropy scaling","authors":"Diego T. Melfi ,&nbsp;Aaron M. Scurto","doi":"10.1016/j.fluid.2025.114427","DOIUrl":"10.1016/j.fluid.2025.114427","url":null,"abstract":"<div><div>Equations of state using the Statistical Associating Fluid Theory (SAFT EoS) have found tremendous success in the thermodynamic modeling of ionic liquids (ILs) and mixtures. Traditionally, SAFT EoS parameters are fit to pure component pressure-volume-temperature (PVT) (density) data and vapor pressure data. We have recently combined the PC-SAFT EoS with entropy scaling theory to correlate and predict the viscosity of ILs and IL mixtures. We found that the PC-SAFT EoS parameters for ionic liquids regressed to PVT data can sometimes lead to relatively large deviations in the viscosity correlations, especially at high pressure. Here, we investigate the effect of including viscosity data along with PVT data for the PC-SAFT parameter regression of two series of 1-n-alkyl-3-methyl imidazolium ionic liquids ([C<em>_n</em>MIm][Tf₂N] and [C<em>_n</em>MIm][BF₄]). From analyzing the Pareto fronts, the inclusion of viscosity data to PVT data for PC-SAFT parameters resulted in only a small loss in accuracy for the density, but with much improved viscosity correlations through entropy scaling. We found that the parameter sets obtained from density and viscosity data regression are less prone to numerical pitfalls, i.e. fictitious SAFT critical points, than the parameter sets obtained from PVT data alone. In addition, the predicted (<em>k_ij</em>=0) phase equilibrium (VLE) of ionic liquids and mixtures with CO₂, CH₄, and water were equal to, if not better than the predictions using PVT data alone. Overall, the use of pure PVT and viscosity data in the parameterization of PC-SAFT yields a more widely applicable prediction method for both thermodynamic and transport properties.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114427"},"PeriodicalIF":2.8,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682467","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}

{"title":"Synthesis of CO2 hydrate capsules in partially water-saturated sediment as vessels for underground mechanical energy storage: Promoting effect of tetrahydrofuran and cyclopentane","authors":"Qian Ouyang ,&nbsp;Omer Lev-Yehudi ,&nbsp;Jyoti Shanker Pandey ,&nbsp;Andrea Franza ,&nbsp;Irene Rocchi ,&nbsp;Assaf Klar ,&nbsp;Nicolas von Solms","doi":"10.1016/j.fluid.2025.114428","DOIUrl":"10.1016/j.fluid.2025.114428","url":null,"abstract":"<div><div>The intermittency of renewable energy sources and the increase in renewable energy shares require energy storage capability to sustain the green transition. One promising solution for underground energy storage is the use of subsurface CO₂ hydrate capsules, which act as impermeable vessels that store compressed fluids and discharge them upon need. However, as part of the proof-of-concept study of this technology, the feasibility of constructing such vessels, e.g. CO₂ hydrate capsules, has yet to be demonstrated. This work employed CO₂ gas injection assisted by chemical solution into partially water-saturated sand sediments to synthesize CO₂ hydrate capsules. The concentrations of chemical solutions (THF, CP and DIOX) were screened out in the gas/liquid/sand system in terms of kinetic promotion, using a rocking cell. Separately, experiments were carried out with a new high-pressure chamber set-up that quantified the effects of water saturation and chemical promoters on the efficiencies of CO₂ hydrate synthesis in confined partially water-saturated sand. Results on the gas/liquid/sand system showed that 0.025 water/CP weight ratio CP solution and 1.3mol% THF solution induced the largest pressure drops of 18.4 ± 0.2 bar and 16.7 ± 0.1 bar, respectively, indicating the most promoted CO₂ hydrate formation kinetics. Results with the pressure chamber showed three stages during slow CO₂ gas injection: (1) initial pressure “build-up stage”; subsequent (2) CO₂ gas “uptake stage”; and (3) CO₂ injection “closing stage”. CO₂ hydrate formation kinetics of CO₂ hydrate retention percentage (S_CO2) and CO₂ hydrate density (ρ_CO2) were directly proportional to the initial water saturation (6.0–76.7%). Injection of THF or CP solutions increased S_CO2 by 16.5% or 18.5%, and ρ_CO2 by 74.5% or 128.3% compared to injection of water. The best performances were obtained at a fluid pressure of 27.0 bar, with a 0.025 water/CP solution-assisting CO₂ gas injection, in sediment with an initial water saturation of 32.6% and porosity of 44.6%, giving rise to S_CO2 of 67.2% and ρ_CO2 of 80.6%. These findings demonstrated that the injection of THF or CP solution with CO₂ gas facilitated the possibility of the formation and stabilization of subsurface CO₂ hydrate capsules.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114428"},"PeriodicalIF":2.8,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682468","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}

{"title":"Predicting transport properties of simple fluids using an extended FMSA model and a Mode-Coupling Theory","authors":"Ignace N°II Yapi,&nbsp;Oriana Haddad,&nbsp;Mounir Ben Amar,&nbsp;Jean-Philippe Passarello","doi":"10.1016/j.fluid.2025.114426","DOIUrl":"10.1016/j.fluid.2025.114426","url":null,"abstract":"<div><div>A mode-coupling approach proposed by Egorov (J. Chem. Phys. 119 (2003) 4798‑4810 and J. Chem. Phys. 128 (2008) 144508) and combined with the first-order mean spherical approximation (FMSA) of Tang and Lu (J. Chem. Phys. 99 (1993) 9828‑9835) extended by an analytical SEXP approximation has been systematically tested for the prediction of transport properties (shear viscosity and self-diffusion coefficient) of simple fluids (interacting with various Mie n-6 potentials where n ranging from 9 to 24). Calculations were performed over a the full range of fluid density (<span><math><mrow><mn>0</mn><mo>&lt;</mo><msup><mrow><mi>ρ</mi></mrow><mo>*</mo></msup><mo>&lt;</mo><mn>1</mn></mrow></math></span>) and in a wide domain of temperature (<span><math><mrow><mn>1</mn><mo>&lt;</mo><msup><mrow><mi>T</mi></mrow><mo>*</mo></msup><mo>&lt;</mo><mn>4</mn></mrow></math></span>). As a conclusion of this work, this purely predictive model (no adjustable parameters) is favorably compared with the molecular dynamics data related to a large variety of simple spherical molecules and has successfully predicted the shear viscosity and self-diffusion coefficient of the real noble fluids Ne, Ar, Kr and Xe using <em>ab initio</em> pair potentials.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114426"},"PeriodicalIF":2.8,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682471","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 general Gibbs energy minimization algorithm for modelling solid-fluid equilibria in binary systems involving totally and partially miscible solids, pure solids, hydrates and co-crystals","authors":"Wen Hwa Siah,&nbsp;Marco Campestrini,&nbsp;Paolo Stringari","doi":"10.1016/j.fluid.2025.114425","DOIUrl":"10.1016/j.fluid.2025.114425","url":null,"abstract":"<div><div>At a fixed temperature and pressure, a mixture is at equilibrium if and only if the Gibbs energy of the system is at its global minimum. In other words, phase equilibrium calculations can be treated as optimization problems, as the minimization of the Gibbs energy represents the sufficient condition for thermodynamic equilibrium. However, the necessary condition of equilibrium resulting from the iso-fugacity criterion of each individual component in each guess equilibrium phase is more used. Despite being computationally simpler, this approach may lead to metastable solutions. On the whole, the minimization of Gibbs energy should be prioritized as it is the only approach that provides the true thermodynamic state of a given mixture since it considers the overall Gibbs energy of the system.</div><div>This work presents a general algorithm based on the Gibbs energy minimization approach for binary systems. Provided that suitable fluid-phase and solid-phase models are chosen, the algorithm is able to evaluate the most stable thermodynamic state of a system for a given global composition, temperature, and pressure without prior assumptions about the number, nature, or compositions of equilibrium phases.</div><div>To the authors’ knowledge, this is the first Gibbs energy minimization approach capable of handling solid-fluid phase equilibria involving diverse solid types: from totally miscible solids (e.g., N₂+Ar, CH₄+Kr systems), partially miscible solids (e.g., N₂+O₂, CH₄+Ar systems), pure solids (e.g., N₂+CO₂, CH₄+C₂H₆ systems), and hydrates (e.g., CH₄+H₂O system), to cocrystals with both congruent and incongruent melting (e.g., C₆H₆+C₂H₃N, CH₃OH+H₂O systems).</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"596 ","pages":"Article 114425"},"PeriodicalIF":2.8,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143739895","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}

{"title":"Density measurements of homogeneous phase fluid mixtures comprising CO2/propanol and CO2/butanol binary systems and correlation with PC-SAFT equation of state","authors":"Hiroaki Matsukawa ,&nbsp;Masamune Yomori ,&nbsp;Tomoya Tsuji ,&nbsp;Katsuto Otake","doi":"10.1016/j.fluid.2025.114424","DOIUrl":"10.1016/j.fluid.2025.114424","url":null,"abstract":"<div><div>Given that supercritical CO₂–alcohol mixtures are often encountered in natural gas, oil, and petroleum industries, the properties of binary CO₂/alcohol mixtures are essential for chemical process design, and their prediction is important. Equations of state (EoSs) are powerful tools for estimating physical properties and can be used to determine those of CO₂/alcohol binary mixtures if molecular association is considered, i.e., the examination of the CO₂–alcohol association from the EoS perspective improves property estimation. Herein, the densities of homogeneous phase fluid mixtures comprising CO₂/1-propanol, CO₂/2-propanol, and CO₂/1-butanol binary systems, which are greatly affected by mixing, were measured using a high-pressure vibration-type density meter equipped with a circulation pump and variable-volume viewing cell. Homogeneity was ensured by observing the fluid through the viewing window of the variable-volume cell. Measurements were carried out at temperatures of 313–353 K, CO₂ contents of 0–80 mol%, and pressures of up to 20 MPa, and the obtained data were correlated using the considering association between CO₂ and alcohol-perturbed chain-statistical associating fluid theory (CACA-PC-SAFT) EoS. The mixture density correlation was affected by the estimation accuracy of the pure-alcohol density. Therefore, the pure-alcohol density was correlated using the PC-SAFT EoS, and the pure-alcohol parameters were determined. The mixture density was effectively correlated using the CACA-PC-SAFT EoS based on these parameters. Furthermore, we determined the dependence of the obtained mixing parameters on temperature and alcohol species, revealing that mixing parameters could be predicted by combining experimental or quantum chemical information on alcohols or CO₂ and alcohols.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114424"},"PeriodicalIF":2.8,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682466","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 second-order Dry Glass Reference Perturbation Theory for modeling sorption in glassy polymers: applications to systems containing light gases, alcohols, and water vapor","authors":"Hasan Ismaeel ,&nbsp;Bennett D. Marshall ,&nbsp;Eleonora Ricci ,&nbsp;Maria Grazia De Angelis","doi":"10.1016/j.fluid.2025.114410","DOIUrl":"10.1016/j.fluid.2025.114410","url":null,"abstract":"<div><div>The solubility of gases and vapors plays a critical role in determining the overall performance of membrane-based separation processes. Through the use of advanced Equations of State (EoS), the Non-Equilibrium Thermodynamics for Glassy Polymers (NET-GP) theory rose into prominence as a powerful correlative and predictive tool for the sorption of guest species in glassy polymers. The recently proposed Dry Glass Reference Perturbation Theory (DGRPT) provided a method to account for the polymer swelling through the NET-GP framework. In this work, we introduce a second-order modification to the DGRPT that improves upon the model’s flexibility in representing different types of isotherms. We have also investigated different association and parameterization schemes for water and alcohol sorption using the PC-SAFT EoS in glassy polymers. For the non-self associating polymers investigated here, our results concluded that the sorption of alcohols can be represented adequately using the induced association assumptions formulated by Kleiner and Sadowski. On the contrary, the same assumptions often lead to poor water sorption results. We speculate that the Wolbach and Sandler combining rule may be incapable of representing the cross-association effects between water and the glassy polymer. As a result, we fitted the cross association volume of bonding (κ<span><math><msub><mrow></mrow><mrow><msub><mrow><mi>A</mi></mrow><mrow><mi>i</mi></mrow></msub><msub><mrow><mi>B</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msub></math></span>) on the sorption data while fixing the cross association energetic parameter (ε<span><math><msub><mrow></mrow><mrow><msub><mrow><mi>A</mi></mrow><mrow><mi>i</mi></mrow></msub><msub><mrow><mi>B</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msub></math></span>) to half of water’s parameter. The adjusted κ<span><math><msub><mrow></mrow><mrow><msub><mrow><mi>A</mi></mrow><mrow><mi>i</mi></mrow></msub><msub><mrow><mi>B</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msub></math></span> can then be treated as a temperature-independent parameter, while the effects of temperature variation can be delegated to the binary interaction parameter (k<span><math><msub><mrow></mrow><mrow><mi>i</mi><mi>j</mi></mrow></msub></math></span>).</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114410"},"PeriodicalIF":2.8,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644982","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}