Fluid Phase Equilibria最新文献

{"title":"Hydrate equilibrium of carbon dioxide in aqueous solutions of 1,4-cyclohexanedione as a thermodynamic inhibitor","authors":"Xinrui Hou,&nbsp;Zhigao Sun","doi":"10.1016/j.fluid.2025.114604","DOIUrl":"10.1016/j.fluid.2025.114604","url":null,"abstract":"<div><div>In oil and gas transportation pipelines, hydrate formation brings serious pipeline blockage risk. Injecting thermodynamic hydrate inhibitors will prohibit hydrate formation. The effect of 1,4-cyclohexanedione as a thermodynamic inhibitor on hydrate equilibrium conditions of CO₂ was studied using isochoric stepwise heating method. The experimental results show that 1,4-cyclohexanedione can inhibit hydrate formation of CO₂. Aqueous solutions with 1,4-cyclohexanedione effectively moves the equilibrium boundary to the direction of lower temperatures and higher pressures. The testing data also show that CO₂ hydrate equilibrium pressures increased more when the concentration of 1,4-cyclohexanedione increased. The temperature shift reaches 2.05 K at 2.57 MPa by adding 15 wt % CHD. The inhibitory effect of CHD on carbon dioxide hydrate formation is similar to that of <em>n</em>-ethyl-<em>n</em>-methylmorpholinium bromide and tetramethyl ammonium chloride.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114604"},"PeriodicalIF":2.7,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266718","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 measurement and thermodynamic modeling for the methane + methanol binary system: volumetric behavior and Joule-Thomson coefficient modeling","authors":"Moacir Frutuoso Leal da Costa,&nbsp;Lucas Henrique Gomes de Medeiros,&nbsp;Davi Cezar do Nascimento,&nbsp;Vinicius de Oliveira Souza,&nbsp;Filipe Xavier Feitosa,&nbsp;Hosiberto Batista de Sant’Ana","doi":"10.1016/j.fluid.2025.114600","DOIUrl":"10.1016/j.fluid.2025.114600","url":null,"abstract":"<div><div>To address the critical role of the Joule-Thomson (JT) effect in flow assurance for the oil and gas industry, this work presents experimental density data for methane + methanol mixtures at temperatures ranging from 313.15 K to 413.15 K and pressures up to 100 MPa. Using this data, derivative properties such as isothermal compressibility, isobaric expansivity, and Joule-Thomson coefficient were calculated via a correlative Tammann-Tait Eq. and compared against predictions using the PC-SAFT Eq. of state. The results showed that <span><math><msub><mi>μ</mi><mrow><mi>J</mi><mi>T</mi></mrow></msub></math></span> was negative under these conditions, indicating a warming effect upon expansion. The use of the PC-SAFT Eq. was satisfactory, given the system’s complexity, for density data and for properties that did not rely on the isobaric heat capacity. Additionally, a new binary interaction parameter for the methane/methanol pair was obtained and evaluated using the PC-SAFT Eq. of state.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114600"},"PeriodicalIF":2.7,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266719","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":"Redistribution of hydrocarbon and water within graphene mesopores under an external electric field: Evidences from molecular dynamics simulations","authors":"Flávia N. Braga,&nbsp;Felipe M. Coelho,&nbsp;Loreena Y. Pinotti,&nbsp;Gustavo Doubek,&nbsp;Luís F.M. Franco","doi":"10.1016/j.fluid.2025.114596","DOIUrl":"10.1016/j.fluid.2025.114596","url":null,"abstract":"<div><div>The behavior of confined fluids under external electric fields is central to the development of field-responsive technologies in catalysis and separations. Here, we use Molecular Dynamics simulations to explore the structural response of water–hydrocarbon mixtures (methane, <span><math><mi>n</mi></math></span>-butane, and <span><math><mi>n</mi></math></span>-pentane) confined within graphene slit pores, subjected to electric field strengths ranging from 1.5 to 7.5 V<span><math><mrow><mspace></mspace><msup><mrow><mi>nm</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>. In the absence of an electric field, the system exhibits clear phase separation along the confinement axis, with hydrocarbons preferentially adsorbed near the graphene walls and water localized at the center. As the electric field increases, this organization becomes disrupted, with a lateral redistribution of water molecules and reduced interfacial definition. The spatial rearrangement is confirmed through density profiles along multiple axes, while analysis of the order parameter indicates negligible dipolar alignment of water molecules. Dielectric permittivity calculations reveal anisotropic polarization responses, supporting a mechanism dominated by positional, rather than orientational, field effects. The observed redistribution is significant above 3.0 V<span><math><mrow><mspace></mspace><msup><mrow><mi>nm</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> and intensifies with stronger fields. These results provide molecular-level insights into the design of nanoconfined systems where electric fields are used to modulate fluid organization. Implications are far-reaching: in electric swing adsorption (ESA), field-induced redistribution offers new levers for controlling selectivity and regeneration; in electrostatic catalysis, particularly Fischer–Tropsch synthesis (FTS), dynamic positioning of polar intermediates such as CO and H₂O near catalytic surfaces could fine-tune reaction pathways and improve selectivity. Overall, this work provides a foundational framework for designing electric-field-responsive nanoconfined systems relevant to gas separations and catalytic processes.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114596"},"PeriodicalIF":2.7,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217170","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 solubility of O-methylphenylacetic acid (OMPA) in different pure solvents, corrections and thermodynamic properties","authors":"Rou Zhang ,&nbsp;Fanfan Li ,&nbsp;Yazhou Li ,&nbsp;Xingchuan Yang ,&nbsp;Chunmei Cao ,&nbsp;Li Xu ,&nbsp;Yi Yu","doi":"10.1016/j.fluid.2025.114602","DOIUrl":"10.1016/j.fluid.2025.114602","url":null,"abstract":"<div><div>This study investigated the dissolution behavior of O-methylphenylacetic acid (OMPA) in twelve organic solvent systems (methanol, ethanol, <em>n</em>-propanol, <em>i</em>-propanol, <em>n</em>-butanol, <em>i</em>-butanol, acetone, acetonitrile, dichloromethane, 1,2-dichloroethane, methyl acetate, ethyl acetate) across eight temperature gradients. The solubility of all tested solvents increased with temperature, and acetone exhibited the highest solubility among them. A multidimensional research approach was employed to elucidate the mechanisms underlying the dissolution process. This approach integrated molecular electrostatic potential surface (MEPS) analysis, the interpretation of solvent physicochemical parameters, and density functional theory (DFT) calculations. Six thermodynamic models (<em>λh</em>, modified Apelblat, van't Hoff, Yaws, Wilson, and Jouyban models) were applied to correlate the regularity of solubility evolution. The validity of these models was evaluated through <em>ARD</em> and <em>RMSD</em>. Among these models examined, the Yaws model demonstrated optimal fitting performance with a 100<em>ARD</em> average of 0.8221. Additionally, thermodynamic analysis revealed patterns concerning changes in the apparent mixed Gibbs free energy (Δ_sol<em>G</em>), the apparent mixing enthalpy change (Δ_sol<em>H</em>), and the apparent mixing entropy change (Δ_sol<em>S</em>) throughout the dissolution process. It was observed that the dissolution of OMPA is endothermic and driven by an increase in entropy.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114602"},"PeriodicalIF":2.7,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266717","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":"Data-driven extended corresponding state approach for residual property prediction of hydrofluoroolefins","authors":"Gang Wang,&nbsp;Peng Hu","doi":"10.1016/j.fluid.2025.114599","DOIUrl":"10.1016/j.fluid.2025.114599","url":null,"abstract":"<div><div>Hydrofluoroolefins are considered the most promising next-generation refrigerants due to their extremely low global warming potential values, which can effectively mitigate the global warming effect. However, the lack of reliable thermodynamic data hinders the discovery and application of newer and superior hydrofluoroolefin refrigerants. In this work, integrating the strengths of theoretical method and data-driven method, we proposed a neural network extended corresponding state model to predict the residual thermodynamic properties of hydrofluoroolefin refrigerants. The innovation is that the fluids are characterized through their microscopic molecular structures by the inclusion of graph neural network module and the specialized design of model architecture to enhance its generalization ability. The proposed model is trained using the highly accurate data of available known fluids, and evaluated via the leave-one-out cross-validation method. Compared to conventional extended corresponding state models or cubic equation of state, the proposed model shows significantly improved accuracy for density and energy properties in liquid and supercritical regions, with average absolute deviation of 1.49 % (liquid) and 2.42 % (supercritical) for density, 3.37 % and 2.50 % for residual entropy, 1.85 % and 1.34 % for residual enthalpy. These results demonstrate the effectiveness of embedding physics knowledge into the machine learning model. The proposed neural network extended corresponding state model is expected to significantly accelerate the discovery of novel hydrofluoroolefin refrigerants.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114599"},"PeriodicalIF":2.7,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217168","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":"Partial molar properties for the viscous flow of binary aqueous amine mixtures","authors":"Sumudu Karunarathne ,&nbsp;Parham Bakhtavar ,&nbsp;Lars Erik Øi","doi":"10.1016/j.fluid.2025.114597","DOIUrl":"10.1016/j.fluid.2025.114597","url":null,"abstract":"<div><div>Previously reported measured density and viscosities of Monoethanolamine (MEA) + H₂O, N-methyldiethanolamine (MDEA) + H₂O, Dimethylethanolamine (DMEA) +H₂O, and Diethylethanolamine (DEEA) +H₂O mixtures were used to calculate different properties of free energy of activation for viscous flow <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msup><mrow><mi>G</mi></mrow><mo>*</mo></msup></mrow></math></span> , excess free energy of activation for viscous flow <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msup><mrow><mi>G</mi></mrow><mrow><mo>*</mo><mi>E</mi></mrow></msup></mrow></math></span> and partial molar free energy of activation for viscous flow of the components in the mixture <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msubsup><mover><mi>G</mi><mo>¯</mo></mover><mi>i</mi><mo>*</mo></msubsup></mrow></math></span> from Eyring’s viscosity model. Redlich-Kister polynomial equations were used to represent <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msup><mrow><mi>G</mi></mrow><mrow><mo>*</mo><mi>E</mi></mrow></msup></mrow></math></span> and calculate <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msubsup><mover><mi>G</mi><mo>¯</mo></mover><mi>i</mi><mo>*</mo></msubsup></mrow></math></span> at different temperatures and amine mole fractions. The behaviour of calculated <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msubsup><mover><mi>G</mi><mo>¯</mo></mover><mi>i</mi><mo>*</mo></msubsup></mrow></math></span> for amines and H₂O in different mixtures was discussed. The behaviour of reported partial molar volumes <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msub><mover><mi>V</mi><mo>¯</mo></mover><mi>i</mi></msub></mrow></math></span> from our previous work was compared with <span><math><mrow><mstyle><mi>Δ</mi></mstyle><msubsup><mover><mi>G</mi><mo>¯</mo></mover><mi>i</mi><mo>*</mo></msubsup></mrow></math></span> to identify any similarities for these particular mixtures.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114597"},"PeriodicalIF":2.7,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217173","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 MD simulation study on the influence of pressure on sodium crystal melting","authors":"Tingting Ma ,&nbsp;Tongtong Liu ,&nbsp;Yang Li ,&nbsp;Baiheng Jing ,&nbsp;Panrong Wu ,&nbsp;Qinglin Cheng","doi":"10.1016/j.fluid.2025.114598","DOIUrl":"10.1016/j.fluid.2025.114598","url":null,"abstract":"<div><div>The molecular dynamics (MD) method and EAM/FS potential are used to study the influence of pressure (1 kPa ∼ 500 MPa) on the non-equilibrium melting process of alkali metal sodium crystals. The changes in macroscopic physical parameters such as potential energy, volume, and heat capacity (<em>C</em>_p) with pressure are obtained, and the evolutions of atomic clusters during the melting process are analyzed by RDF and PTM methods. The non-equilibrium melting temperature (<em>T'_m</em>) and melting time (Δ<em>t_m</em>) under different pressures are gotten by macroscopic physical parameters analysis. The pressure has a significant impact on the melting behavior of sodium, particularly at pressures below 150 MPa. The <em>T'_m</em> increases with the increase of pressure, ranging from 423 K to 464 K within the pressure range of 1 kPa to 500 MPa, which is consistent with the experimental data. Besides, the Δ<em>t_m</em> first decreases and then increases with increasing pressure, and the shortest melting time is 7.6 ps at 90 MPa. Both RDF analysis and PTM analysis can describe the phase transition process of sodium melting, and also indicate that <em>T'_m</em> increases with increasing pressure. The PTM analysis method can effectively study the transformation of different sodium atom clusters (BCC, HCP, FCC, and Other clusters) during the sodium melting process. It is found that as the temperature increased, some BCC clusters directly transform into Other clusters, while the others first transform into intermediate FCC and HCP clusters, and then into Other clusters. The range of <em>T'_m</em> of sodium is determined to be 425 K ∼ 467 K using PTM analysis method, which is consistent with the results of <em>C</em>_p analysis. There is a good correspondence between the changes in macroscopic physical parameters and the evolution of the atomic clusters during the melting process of sodium crystals. Both of these changes can reveal the melting process of sodium. The thermodynamic parameters related to sodium melting obtained through the MD simulations can provide theoretical support for the applications and simulations of solid-liquid phase transition of sodium under relatively low-pressure conditions.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114598"},"PeriodicalIF":2.7,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217172","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":"Hydrate equilibrium conditions of a synthetic natural gas in the presence of methanol: Experimental study and thermodynamic modeling","authors":"Alireza Shariati ,&nbsp;Ali Rasoolzadeh ,&nbsp;Cor J. Peters","doi":"10.1016/j.fluid.2025.114595","DOIUrl":"10.1016/j.fluid.2025.114595","url":null,"abstract":"<div><div>In this work, the hydrate equilibrium conditions of a synthetic natural gas (SNG) in the presence of pure water and three aqueous methanol solutions including 0.09570, 0.24805, and 0.50109 methanol mass fractions were measured in the pressure range of (5.06 to 12.56) MPa and temperature range of (256.74 to 291.41) K using the isochoric pressure-search method. Additionally, a modified van der Waals-Platteeuw (vdW-P) model was used to calculate the hydrate equilibrium conditions of the SNG hydrate. The UNIQUAC and Flory-Huggins (FH) activity coefficient models were applied to compute the water activity in the presence of methanol and the Peng-Robinson equation of state (PR EoS) was used for the vapor phase. It was determined that (vdW-P + PR + UNIQUAC) and (vdW-P + PR + FH) resulted in the average absolute deviations of 0.41 K and 0.25 K, respectively.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114595"},"PeriodicalIF":2.7,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217171","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":"Using the PC-SAFT model to represent the mixing properties of 81 binaries formed by a methyl alkanoate with an alkan-1-ol","authors":"Ariel Hernández ,&nbsp;Juan Ortega ,&nbsp;Mustapha Maarouf ,&nbsp;Manuel Chaar","doi":"10.1016/j.fluid.2025.114590","DOIUrl":"10.1016/j.fluid.2025.114590","url":null,"abstract":"<div><div>PC-SAFT has been used as a fitted and predictive approaches for modeling the excess molar properties of 81 binary mixtures composed of methyl alkanoate and 1-alkanol at atmospheric pressure and 298.15 K; whose experimental and correlation data were obtained from the literature. Furthermore, we have compared the VLE obtained with PC-SAFT for 9 binary mixtures of methyl alkanoate (ethanoate to butanoate) + 1-alkanol (ethanol to 1-butanol) with experimental data published in the literature at 101.32 kPa. The binary interaction parameter, known as <span><math><msub><mrow><mi>k</mi></mrow><mrow><mi>i</mi><mi>j</mi></mrow></msub></math></span>, was adjusted to correct for London dispersion forces, and excess molar volume and excess molar enthalpy data were used for the fitting. From the calculations, we have obtained a good qualitative agreement between PC-SAFT and literature data for most binary mixtures, which present predominant repulsive forces and an endothermic effect in the mixing process. Finally, it was found that PC-SAFT correctly predicts (without using adjustable parameters) the VLE of the 9 binary mixtures analyzed. The best agreement in the representation of the experimental data of excess molar volume was obtained for the group of mixtures of methyl ethanoate + 1-alkanol (18.11%), while in the case of excess molar enthalpy, the best results were obtained for methyl pentadecanoate + 1-alkanol (7.04%). On the other hand, PC-SAFT was able to correctly represent the experimental data of liquid–vapor equilibrium for 9 binary mixtures from a predictive and quantitative perspective and deviations in boiling point and mole fraction in vapor phase of 0.31% and 2.29% were obtained, respectively.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114590"},"PeriodicalIF":2.7,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155774","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":"Study on isobaric specific heat capacity of ethyl octanoate under high pressure across 313-453 K","authors":"Shaohua Lv ,&nbsp;Bo Wang ,&nbsp;Yun Hao ,&nbsp;Jialun Liu ,&nbsp;Yali Su","doi":"10.1016/j.fluid.2025.114592","DOIUrl":"10.1016/j.fluid.2025.114592","url":null,"abstract":"<div><div>This study experimentally determined the isobaric specific heat capacity of ethyl octanoate using flow calorimetry across 313.15 to 453.15 K at pressures up to 10 MPa, with measurement uncertainty of 0.095. Deviations from literature data were within 0.43 % at 0.1 MPa and 0.42 % under elevated pressures. By integrating literature data, a computational equation for ethyl octanoate was regressed, exhibiting deviations ≤0.42 %. Utilizing the differential relationship <span><math><mrow><msub><mrow><mo>(</mo><mrow><mrow><mi>∂</mi><msub><mi>c</mi><mi>p</mi></msub></mrow><mo>/</mo><mrow><mi>∂</mi><mi>p</mi></mrow></mrow><mo>)</mo></mrow><mi>T</mi></msub><mo>=</mo><mo>−</mo><mi>T</mi><msub><mrow><mo>(</mo><mrow><mrow><msup><mrow><mi>∂</mi></mrow><mn>2</mn></msup><mi>v</mi></mrow><mo>/</mo><mrow><mi>∂</mi><msup><mrow><mi>T</mi></mrow><mn>2</mn></msup></mrow></mrow><mo>)</mo></mrow><mi>p</mi></msub></mrow></math></span>, a predictive model for isobaric specific heat capacity was established. This model extends the prediction of heat capacity to 100 MPa, achieving an average absolute deviation (AAD) of 0.28 % within the experimental range, demonstrating satisfactory accuracy.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"601 ","pages":"Article 114592"},"PeriodicalIF":2.7,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145106849","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}