Fluid Phase Equilibria最新文献

{"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}

{"title":"Modeling heat capacity of liquid siloxanes using artificial intelligence methods","authors":"Wei Guo ,&nbsp;Baraa Mohammed Yaseen ,&nbsp;Hardik Doshi ,&nbsp;Anupam Yadav ,&nbsp;Asha Rajiv ,&nbsp;Aman Shankhyan ,&nbsp;Sachin Jaidka ,&nbsp;A.S. Madhusadan Acharyulu ,&nbsp;Rafid Jihad Albadr ,&nbsp;Waam mohammed taher ,&nbsp;Mariem Alwan ,&nbsp;Mahmood Jasem Jawad ,&nbsp;Hiba Mushtaq ,&nbsp;Mehrdad Mottaghi","doi":"10.1016/j.fluid.2025.114423","DOIUrl":"10.1016/j.fluid.2025.114423","url":null,"abstract":"<div><div>In organic Rankine cycle (ORC) technology, heat capacity is an extremely important thermophysical property as it has significant implications for heat exchangers design as well as the determination of cycle performance. Given its importance, it is crucial that the heat capacity values used in the aforementioned applications are highly accurate, to ensure optimal performance and efficiency of ORC systems. Thus, the goal of this research is to develop precise data-driven models based on Random Forest, Decision Tree, AdaBoost, K-Nearest Neighbors, Ensemble Learning, Multilayer Perceptron Artificial Neural Network, Convolutional Neural Network and Support Vector Machine learning algorithms to accurately predict liquid siloxanes’ heat capacity as a function of molar mass, boiling point, temperature, and pressure. The findings suggest that nearly all the collected experimental data are technically appropriate for building the model. The analysis of sensitivity indicates a positive effect of temperature and negative effect of pressure, siloxane boiling point, and molar mass on the heat capacities. The evaluation metrics and graphical analyses indicate that the CNN-based model is the most accurate for the prediction task of heat capacity. It achieves the highest R-squared value (0.975042) and the lowest mean square error (0.000554) on the test set, along with the lowest average absolute relative error percentage (0.632605). These results highlight the CNN's superior ability to capture complex patterns and deliver precise predictions specifically for the prediction task of heat capacity.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114423"},"PeriodicalIF":2.8,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682469","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":"Solid–liquid equilibria of selected ternary systems containing diphenyl carbonate, alcohol, dialkyl carbonate, and phenol","authors":"Hiroyuki Matsuda ,&nbsp;Yuki Ohashi ,&nbsp;Tomoya Tsuji ,&nbsp;Ken Naito ,&nbsp;Yusuke Kakuta ,&nbsp;Kiyofumi Kurihara ,&nbsp;Katsumi Tochigi","doi":"10.1016/j.fluid.2025.114420","DOIUrl":"10.1016/j.fluid.2025.114420","url":null,"abstract":"<div><div>We studied the solid–liquid equilibria (SLE) of five ternary systems for application to the purification of diphenyl carbonate (DPC) during crystallization. These systems contained DPC, alcohol, dimethyl carbonate (DMC), diethyl carbonate (DEC), and phenol, i.e., ethanol + DEC + DPC, methanol + DMC + DPC, phenol + DMC + DPC, ethanol + phenol + DPC, and DEC + phenol + DPC. The SLE data of these ternary systems were experimentally determined at atmospheric pressure and temperatures of approximately 245 – 352 K. The SLE measurements of the ternary systems were made for pseudo-binary systems by varying the value of the mole fraction (on a DPC-free basis) of one component of the binary system. The melting points were experimentally determined using a synthetic, visual technique we designed in a previous study. The experimental SLE data of the ethanol + DEC + DPC and methanol + DMC + DPC systems were compared with the predictions of the nonrandom two-liquid model based on binary interaction parameters determined for the constituent binary systems. The predictions of the NIST modified UNIFAC group contribution method were also assessed.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114420"},"PeriodicalIF":2.8,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644980","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":"Enhanced Parameter Estimation for Liquid-Liquid Equilibrium Using Homotopy Continuation as Stability Constraints","authors":"John O Bamikole ,&nbsp;Caleb Narasigadu ,&nbsp;Naadhira Seedat","doi":"10.1016/j.fluid.2025.114421","DOIUrl":"10.1016/j.fluid.2025.114421","url":null,"abstract":"<div><div>Parameter estimation for the activity models such as NRTL and UNIQUAC for liquid-liquid equilibrium (LLE) is a nontrivial task, and this is due to the complex nature of these models and the need to uniquely fit the binary interaction parameters that predict phase behaviour and compositions similar to the experimental ones while ensuring satisfaction of the stability criterion and other conditions. To achieve this task, there is a need for a robust formulation that will capture all the necessary constraints and a good algorithm that will proffer the right solution. This study formulated an LLE problem by introducing the homotopy continuation to create discretised points for tracking the tie-lines to ensure phase stability. Other constraints were also included in this formulation to avoid fictitious phase prediction. The algorithm was applied to several LLE problems, including binary, ternary, and quaternary, for isothermal and non-isothermal LLE systems. The algorithm tackled all the problems, and the estimated parameters predicted stable phases with existent behaviour and compositions with very small discrepancies from the measured compositions. Though the constraint may increase the computational effort, it was beneficial, and the formulation also avoids the back and forth of a posteriori check.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114421"},"PeriodicalIF":2.8,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682211","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 of ionic liquid solubility in supercritical carbon dioxide + co-solvent phase predicted by ε*-modified Sanchez-Lacombe equation of state","authors":"Yuya Hiraga ,&nbsp;Ikuo Ushiki","doi":"10.1016/j.fluid.2025.114417","DOIUrl":"10.1016/j.fluid.2025.114417","url":null,"abstract":"<div><div>Supercritical fluid deposition (SCFD) using supercritical carbon dioxide (CO₂) has environmental advantages and enables the uniform and precise impregnation of ionic liquids (ILs) into porous supports. In general, the solubility of ILs in CO₂ is extremely low, but it can be greatly increased by adding a co-solvent. However, due to the diversity of IL and co-solvent combinations, models for predicting IL solubility remain limited. This study employs the <em>ε</em>*-modified Sanchez-Lacombe equation of state (<em>ε</em>*-mod SL-EoS) to predict IL solubility in supercritical CO₂ + co-solvent systems. Compared to the Peng-Robinson equation of state (PR-EoS) previously used, <em>ε</em>*-mod SL-EoS, derived from lattice fluid theory, has superior predictive capabilities, particularly for systems involving heavy molecules like ILs. Pure component parameters for ILs, CO₂, and co-solvents were determined through high-pressure density and vapor pressure correlations. Binary interaction parameters for IL + CO₂, CO₂ + co-solvent, and IL + co-solvent systems were fitted using available phase equilibrium data. Ternary phase equilibrium predictions using <em>ε</em>*-mod SL-EoS showed improved accuracy, achieving an average logarithmic AARD of 11.0%, outperforming PR-EoS (13.8%). The results highlight the <em>ε</em>*-mod SL-EoS as a robust predictive tool for IL solubility in CO₂-rich phases, even under dilute conditions with co-solvents, offering valuable insights for optimizing the SCFD processes.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114417"},"PeriodicalIF":2.8,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592342","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":"Investigation of contribution of the intermolecular potential attraction term in surface tension of refrigerant fluids","authors":"Reza Khordad","doi":"10.1016/j.fluid.2025.114408","DOIUrl":"10.1016/j.fluid.2025.114408","url":null,"abstract":"<div><div>Theoretical prediction of thermophysical properties of refrigerant fluids using different intermolecular potential models is an attractive challenge in condensed matter physics. For this purpose, in this work, both refrigerant fluids including pure and binary mixtures are considered and their surface tension (<span><math><mi>γ</mi></math></span>) has been theoretically calculated. To obtain the surface tension of refrigerant fluids, three potential models are proposed. The potentials have the same repulsive parts and different attractive terms. The Ornstein-Zernike (OZ) integral equation by the hypernetted chain (HNC) closure is employed to find the pair correlation functions. The OZ equation is numerically solved by expansion of the correlation functions and HC closure in terms of angular functions in Fourier space. After obtaining the radial distribution function for any potential, the surface tension has been computed. The surface tension of each refrigerant fluid is calculated by three potential models. Our obtained theoretical results are compared with the experimental available data. The findings show that for each refrigerant fluid, one of the potential models show better agreement in comparing with experimental results. It means that the attractive term is one of the influencing factors in predicting the surface tension of refrigerant fluids. For pure refrigerant fluids, the best results obtained for R32 with ADD<span><math><mrow><mo>∼</mo><mi>░</mi><mo>%</mo><mn>0.9</mn></mrow></math></span>. The best result is obtained for the mixture of R32+R1234yf with ADD<span><math><mrow><mo>∼</mo><mi>░</mi><mo>%</mo><mn>1.2</mn></mrow></math></span>.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114408"},"PeriodicalIF":2.8,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551631","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":"An improved crossover SRK EOS for more accurate assessment of thermodynamic properties of CO2+pentane binary system","authors":"Kexin Ren,&nbsp;Ao Dong,&nbsp;Yuhang Chen,&nbsp;Yiran Wang,&nbsp;Taotao Zhan,&nbsp;Maogang He,&nbsp;Ying Zhang","doi":"10.1016/j.fluid.2025.114409","DOIUrl":"10.1016/j.fluid.2025.114409","url":null,"abstract":"<div><div>The CO₂ transcritical power cycles in medium-high temperature areas are gaining attention for industrial heat recovery. At present, increasing studies focus on CO₂-based mixtures, particularly the CO₂+pentane binary mixture, due to its high thermal efficiency and low operating pressure. Based on this, high-precision calculation of thermodynamic properties is essential. In this study, the crossover SRK (CSRK) equation of state (EoS) based on Kiselev's crossover method is established, then the phase equilibrium properties, second-order thermodynamic properties, and single-phase region density for pentane and CO₂+pentane binary system are investigated using CSRK. Our research reveals that CSRK can accurately describe the thermodynamic properties of working fluids in near-critical region, precisely explore the change law of critical region density, and improve calculation accuracy of thermodynamic properties in far-critical region, which is suitable for engineering application. The CSRK significantly improves the calculation accuracy on liquid density, reducing the average absolute relative deviation (AARD) by more than half to 1.89 % compared with multi-parameter EoS. Additionally, a new phase equilibrium iterative solution method of binary mixtures is proposed, which has higher calculation efficiency and faster evaluation of the response of system to different disturbances, providing important support for future dynamic analysis.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114409"},"PeriodicalIF":2.8,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577849","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":"High pressure equilibrium data of CO2/cyclohexene oxide and CO2/limonene oxide systems in the context of polycarbonate synthesis using CO2 as a co-monomer","authors":"Edoardo Vittorio Pasini ,&nbsp;Jérôme Durand ,&nbsp;Séverine Camy","doi":"10.1016/j.fluid.2025.114406","DOIUrl":"10.1016/j.fluid.2025.114406","url":null,"abstract":"<div><div>Polycarbonates are a class of high-performance polymers with a wide range of industrial applications. Traditionally, polycarbonate production involves the use of bisphenol A (BPA) and phosgene (COCl₂), which have raised concerns due to their high toxicity and the overall environmental impact of the process. To address these issues, more sustainable methods such as ring-opening copolymerization (ROCOP) of epoxides and carbon dioxide (CO₂) under supercritical CO₂ (sCO₂) are being developed. Recent research has focused on the synthesis of poly(cyclohexene carbonate) (PCHC) and poly(limonene carbonate) (PLC) from cyclohexene oxide (CHO) and limonene oxide (LO), respectively. Limonene oxide has attracted particular interest due to its non-toxic properties and its derivation from limonene, an available bio-based terpene. Reaction performance is strongly influenced by the initial physical state of the mixture, in particular the composition of the liquid and vapor phases. Therefore, access to this thermodynamic information, represented by phase diagrams, is essential for understanding and predicting reaction behavior. However, there is a lack of equilibrium data for these two systems. The aim of this study is to investigate the phase equilibria of the CO₂/CHO and CO₂/LO binary mixtures, thereby contributing to the advancement of greener polycarbonate production. The experiments were performed in a variable volume view-cell, covering a temperature range from 338.15 K to 363.15 K for the CO₂/CHO mixture and from 303.15 K to 343.15 K for the CO₂/LO system. The molar fraction of CO₂ was varied between 0.189 and 0.967 for the CO₂/CHO case, and between 0.227 and 0.997 for the CO₂/LO mixture. Vapor-liquid bubble point (VLE-BP) and dew point (VLE-DP) were determined for both mixtures, along with mixture critical points for the temperatures studied. The phase behavior was modeled using several equations of state (EoS). In particular, the Peng-Robinson (PR) equation of state with the volume translated Peng-Robinson (VTPR) complex mixing rule and the Wilson model for the activity coefficient provided a highly accurate description of the experimental results.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114406"},"PeriodicalIF":2.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143527009","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":"The deviation from ideal behavior in mixtures of propylene glycol and propylene carbonate at different temperatures: Experimental results and modeling","authors":"Alessandro Cazonatto Galvão ,&nbsp;João Victor Thomas Feyh ,&nbsp;Pedro Felipe Arce ,&nbsp;Weber da Silva Robazza","doi":"10.1016/j.fluid.2025.114394","DOIUrl":"10.1016/j.fluid.2025.114394","url":null,"abstract":"<div><div>The molecular interactions within a liquid mixture reflect the degree of nonideality present in the solution. This nonideality can be evaluated through various solution properties, including density, viscosity, and refractive index. A comprehensive analysis of these properties offers valuable insights into the interactions between molecules in the mixture. The advancement of models and the validation of theories depend on the precision of these interpretations. This study presents experimental data on the density, refractive index, kinematic viscosity, and dynamic viscosity of a binary liquid mixture comprising propylene glycol and propylene carbonate. The experiments cover a complete range of solution mole fractions at different temperatures. Density data were correlated using the Peng-Robinson and CPA equations of state, yielding binary interaction parameters. The Eyring equation, combined with the NRTL activity coefficient model, was used to correlate kinematic viscosity data, also resulting in binary interaction parameters. Furthermore, the predictive capability of the Lorentz-Lorenz N-mixing rule was assessed for the refractive index data. The deviations from ideal behavior, as indicated by excess molar volume, variations in viscosity, and changes in refractive index, can be attributed to the formation and breaking of hydrogen bonds between the molecules of propylene glycol. The models employed demonstrate a strong capacity to accurately represent the experimental data.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114394"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143479215","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}