International Journal of Thermophysics最新文献

Low Thermal Conductivity Plaster – Perlite Microsphere Composites as Potential Thermal Insulation Materials in Building Construction 低导热灰泥-珍珠岩微球复合材料作为潜在的建筑隔热材料

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-23 DOI: 10.1007/s10765-025-03572-y

Z. Viskadourakis, P. M. Angelopoulos, M. Orfanou, Α. Drymiskianaki, A. Manousaki, E. Koudoumas, M. Taxiarchou, G. Kenanakis

{"title":"Low Thermal Conductivity Plaster – Perlite Microsphere Composites as Potential Thermal Insulation Materials in Building Construction","authors":"Z. Viskadourakis, P. M. Angelopoulos, M. Orfanou, Α. Drymiskianaki, A. Manousaki, E. Koudoumas, M. Taxiarchou, G. Kenanakis","doi":"10.1007/s10765-025-03572-y","DOIUrl":"10.1007/s10765-025-03572-y","url":null,"abstract":"<div><p>In the current study plaster − expanded perlite microsphere composites, were investigated regarding their thermal insulation properties. In this context commercially available plaster powder was mixed with expanded perlite microspheres, of various grain size distribution and bulk density, aiming the investigation of the effect of ultrafines in the aggregates on the mechanical properties of the composites. The mixing procedure resembles that of making plaster mortars, in building construction. Thermal conductivity of composites was found to be sizably lower than that of pure plaster, and was further decreased with increasing filler loading. Moreover, filler density seems to affect thermal insulation performance, at high loading concentrations. Slight increase of the mechanical properties was identified when aggregates include ultrafine particles. Thermal insulation performance experiments indicate that plaster − expanded perlite microsphere composites clearly exhibit better thermal insulation properties, in comparison to pure plaster. Overall, expanded plaster − expanded perlite microsphere composites seem to be efficient insulation materials for potential applications in buildings’ construction, toward reducing their energy footprint.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03572-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Lithium-Ion Battery Modeling for Nonisothermal Conditions 非等温条件下的锂离子电池建模

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-23 DOI: 10.1007/s10765-025-03551-3

Felix Schloms, Øystein Gullbrekken, Signe Kjelstrup

{"title":"Lithium-Ion Battery Modeling for Nonisothermal Conditions","authors":"Felix Schloms, Øystein Gullbrekken, Signe Kjelstrup","doi":"10.1007/s10765-025-03551-3","DOIUrl":"10.1007/s10765-025-03551-3","url":null,"abstract":"<p>A nonequilibrium thermodynamic model is presented for the nonisothermal lithium-ion battery cell. Coupling coefficients, all significant for transport of heat, mass, charge and chemical reaction, were used to model profiles of temperature, concentration, and electric potential for each layer of the cell. Electrode surfaces were modeled with excess properties. Extending earlier works, we included lithium diffusion in the electrodes, and explained the cell’s thermal signature due to Peltier and Soret effects. We showed that the model is consistent with the second law of thermodynamics, meaning that the entropy production computed at steady state from entropy fluxes is equal to the integral over the sum of flux–force products. The procedure is beneficial in electrochemical cell modeling as it reveals inconsistencies. The model was solved for typical lithium-ion battery materials. The coupling coefficients for transport of salts and solvents lead to significant concentration polarization. Thermal polarization is then negligible. We show that a zero-valued heat flux is not necessarily synonymous with a zero temperature gradient. Results are important for efforts that aim to avoid local hot spots. A program code is made available for testing and applications. The program is designed to solve dynamic boundary value problems posed by the electrode surfaces.</p>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03551-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sublimation Pressure and Heat Capacity of Dimethylsilanediol 二甲基硅二醇的升华压力和热容

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-21 DOI: 10.1007/s10765-025-03570-0

Michal Fulem, Vojtěch Štejfa, Květoslav Růžička, Michael Molnar

引用次数: 0

Thermophysical Properties of Binary and Ternary Mixtures Comprising Methyl Acetate, n-Hexane, and Cyclohexane: Experimental and Modeling Approach 由乙酸甲酯、正己烷和环己烷组成的二元和三元混合物的热物理性质：实验和建模方法

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-21 DOI: 10.1007/s10765-025-03573-x

Rozafa Krasniqi, Fisnik Aliaj, Naim Syla, Arbër Musliu, Arbër Zeqiraj

{"title":"Thermophysical Properties of Binary and Ternary Mixtures Comprising Methyl Acetate, n-Hexane, and Cyclohexane: Experimental and Modeling Approach","authors":"Rozafa Krasniqi, Fisnik Aliaj, Naim Syla, Arbër Musliu, Arbër Zeqiraj","doi":"10.1007/s10765-025-03573-x","DOIUrl":"10.1007/s10765-025-03573-x","url":null,"abstract":"<div><p>Experimental densities and sound speeds measured at temperatures (288.15, 298.15, 308.15, and 318.15) K under ambient pressure conditions are reported for the first time for the ternary system (methyl acetate + <i>n</i>-hexane + cyclohexane) covering the entire composition range. The corresponding binary subsystems (methyl acetate + <i>n</i>-hexane), (methyl acetate + cyclohexane), and (<i>n</i>-hexane + cyclohexane) have also been studied. The excess molar volumes and excess isentropic compressibilities were calculated from experimental data and correlated using Redlich-Kister and Cibulka equations for binary and ternary systems, respectively. The composition and temperature dependence of these properties provided insights into the nature of molecular interactions and structural effects within the mixtures. The Jouyban-Acree model effectively captured the composition and temperature dependence of densities and sound speeds, and their closely related properties, namely isobaric thermal expansivities and isentropic compressibilities, of the studied binary and ternary mixtures with an optimized set of adjustable parameters. Finally, the ternary excess molar volumes and excess isentropic compressibilities were compared with the predicted values from binary contribution symmetric (Kohler and Muggianu) and asymmetric (Hillert and Toop) models. Kohler symmetric model effectively predicted the excess molar volumes, while the asymmetric Hillert model yielded superior prediction for excess isentropic compressibility, particularly when <i>n</i>-hexane was treated as the asymmetric component.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144100270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Comparative Evaluation of Friction Theory, Free-Volume Theory, Entropy Scaling, and Helmholtz Energy Scaling Viscosity Models Coupled with the PρT-SAFT Equation of State for Pure and Binary Mixtures of Ethylene Glycols and Alkanolamines 摩擦理论、自由体积理论、熵标度和Helmholtz能量标度黏度模型与纯乙二醇和烷醇胺二元混合物的PρT-SAFT状态方程的比较评价

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-21 DOI: 10.1007/s10765-025-03561-1

Arash Pakravesh, Amir H. Mohammadi, Dominique Richon

{"title":"A Comparative Evaluation of Friction Theory, Free-Volume Theory, Entropy Scaling, and Helmholtz Energy Scaling Viscosity Models Coupled with the PρT-SAFT Equation of State for Pure and Binary Mixtures of Ethylene Glycols and Alkanolamines","authors":"Arash Pakravesh, Amir H. Mohammadi, Dominique Richon","doi":"10.1007/s10765-025-03561-1","DOIUrl":"10.1007/s10765-025-03561-1","url":null,"abstract":"<div><p>Ethylene glycols and alkanolamines play a crucial role in various industrial processes, particularly in natural gas processing. Accurate viscosity modeling for these substances is essential for designing and optimizing industrial operations. This study evaluates the performance of five semi-theoretical viscosity models, namely Friction Theory (FT), Free-Volume Theory (FVT), Entropy Scaling (ES1 and ES2), and Helmholtz Energy Scaling (HES), coupled with the PρT-SAFT equation of state (EoS). The study focuses on modeling the viscosity of pure monoethanolamine (MEA), diethanolamine (DEA), methyldiethanolamine (MDEA), monoethylene glycol (MEG), diethylene glycol (DEG), triethylene glycol (TEG), and their binary mixtures. Model parameters were determined using Random Search and Conjugate Gradient optimization methods. The HES model demonstrates the highest accuracy for pure ethylene glycols and alkanolamines. No binary interaction parameters were included in the mixture calculations. Based on available data, five binary mixtures of ethylene glycols and alkanolamines were studied. The HES model consistently provides the most accurate predictions across a wide range of pressures and temperatures. The overall average absolute deviations (%AAD) for the FT, FVT, ES1, ES2, and HES models coupled with the PρT-SAFT EoS for all pure compounds and mixtures are respectively: 119, 28, 13, 14, and 11. These results confirm that the HES and ES models offer the most reliable viscosity predictions for pure and mixed ethylene glycol and alkanolamine systems.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03561-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144100272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular Dynamics Study of the Correlation Between Local Diffusivity of Water Molecules and Ice Nucleation in the Vicinity of a Nanostructured Surface 纳米结构表面附近水分子局部扩散率与冰成核关系的分子动力学研究

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-13 DOI: 10.1007/s10765-025-03555-z

Shiryu Masuda, Ryosuke Matsumoto, Masahiko Shibahara

{"title":"Molecular Dynamics Study of the Correlation Between Local Diffusivity of Water Molecules and Ice Nucleation in the Vicinity of a Nanostructured Surface","authors":"Shiryu Masuda, Ryosuke Matsumoto, Masahiko Shibahara","doi":"10.1007/s10765-025-03555-z","DOIUrl":"10.1007/s10765-025-03555-z","url":null,"abstract":"<div><p>The influence of solid surface properties on ice nucleation are well-known and the influence of the dynamical heterogeneity (DH) of water molecules on ice nucleation has also attracted attention recently. Dynamical heterogeneity refers to water molecules in supercooled water that have regions of high mobility as well as those of low mobility. In the present study, we investigated the effect of the dynamic properties of water molecules in the vicinity of various solid surfaces on heterogeneous ice nucleation using molecular dynamics simulations. Specifically, we simulated heterogeneous ice nucleation on a perfect crystalline surface of platinum and surface with a slit structure at a nanometer scale. We calculated the local diffusivity (LD) as an indicator of DH and found that the correlation between the distribution of LD and the location of critical ice nucleation showed that ice nucleation tends to occur in regions with relatively low LD. In addition to this, by employing nanoslit structures of various widths, we found that the surface width of the slit structure or surrounding substrate where ice nucleation occurs is important for critical nucleation.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03555-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143938565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thermal Properties of Novel Hybrid Phase Change Materials Based on LiNO3–NaNO3–NaCl/NiCrO3–Sand for Heat Storage 基于LiNO3-NaNO3-NaCl / NiCrO3-Sand的新型储热杂化相变材料的热性能

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-13 DOI: 10.1007/s10765-025-03566-w

Muhammad Shehram, Muhammad Najwan Hamidi, Aeizaal Azman Abdul Wahab, Mohd Khairunaz Mat Desa

{"title":"Thermal Properties of Novel Hybrid Phase Change Materials Based on LiNO3–NaNO3–NaCl/NiCrO3–Sand for Heat Storage","authors":"Muhammad Shehram, Muhammad Najwan Hamidi, Aeizaal Azman Abdul Wahab, Mohd Khairunaz Mat Desa","doi":"10.1007/s10765-025-03566-w","DOIUrl":"10.1007/s10765-025-03566-w","url":null,"abstract":"<div><p>Phase change materials (PCMs) are effective for thermal energy storage but often suffer from low thermal conductivity and limited stability. To overcome these challenges and enhance PCM performance, conductive materials can be added. This study presents a novel composite phase change material (CPCM) by combining LiNO<sub>3</sub>–NaNO<sub>3</sub>–NaCl with sand and NiCrO<sub>3</sub> in an 8:2 wt % ratio, significantly improving thermal conductivity and stability. Thermal and chemical analyses reveal that the addition of sand–NiCrO<sub>3</sub> increases the CPCM’s thermal conductivity from 0.50 W/m·K to 0.92 W/m·K, enhancing charging and discharging efficiency. Structural analysis shows well-organized sand particles spaced 44.38 µm apart, with bright spots indicating NiCrO<sub>3</sub>. The CPCM undergoes a solid–solid phase transition at 50 °C, a phase change at 130 °C, and solidification at 125 °C. It retains good thermal stability, with degradation starting after 300 cycles, showing only 27 % mass loss at 650 °C and a 2 % reduction in storage capacity. The CPCM’s latent and specific heat capacities are 250 J·g<sup>−1</sup> and 565 J·kg<sup>−1</sup>·°C, respectively, enabling effective heat storage with minimal temperature variation and reduced heat loss. Its exergy efficiency of 0.90 % during heat storage in a tank highlights its strong thermal energy storage capabilities, making it a promising material for advanced applications.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143938566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Environmental and Exergetic Impacts of PCM-Filled Red Bricks in Conical Solar Water Distillers 锥形太阳能蒸馏器中pcm填充红砖对环境和能源的影响

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-10 DOI: 10.1007/s10765-025-03562-0

Abd Elnaby Kabeel, Mohammed El Hadi Attia, Ali Benhmidene, M. A. Elazab, Mahmoud Bady

{"title":"Environmental and Exergetic Impacts of PCM-Filled Red Bricks in Conical Solar Water Distillers","authors":"Abd Elnaby Kabeel, Mohammed El Hadi Attia, Ali Benhmidene, M. A. Elazab, Mahmoud Bady","doi":"10.1007/s10765-025-03562-0","DOIUrl":"10.1007/s10765-025-03562-0","url":null,"abstract":"<div><p>This study investigates strategies to improve the efficiency of conical solar distillers for continuous water production during both day and night. Enhancements involve the integration of cylindrical hollow red bricks and natural thermal storage materials, along with the inclusion of phase change materials (PCM) within the hollow fins. A cylindrical hollow red brick, with and without paraffin wax-based PCM, is placed at the base of the distiller basin, and three configurations are analyzed. The first is a standard setup, the second incorporates cylindrical hollow red bricks without PCM, and the third employs PCM-filled cylindrical hollow red bricks. Experiments were conducted over a 24-h period under similar environmental conditions in Algeria, with a 3 cm spacing between the cylindrical hollows. Results demonstrated that the configuration utilizing PCM-filled cylindrical hollow red bricks achieved the highest productivity. Specifically, the daily water output of conical solar distillers using red bricks with and without PCM was 6.15 and 5.55 L⋅m<sup>−2</sup>, respectively, compared to 3.95 L⋅m<sup>−2</sup> for the conventional setup. This corresponds to productivity improvements of 55.70 % and 40.50 %, respectively, over the traditional design. Notably, night-time water production using PCM-filled cylindrical hollow red bricks was enhanced by 200 % compared to systems without PCM. Environmental analysis revealed that the PCM-enhanced system mitigates carbon emissions equivalent to $390.94 annually, 1.55 times the mitigation achieved by the conventional setup. These findings highlight that integrating cylindrical hollow red bricks with PCM significantly enhances the performance of conical solar distillers, offering a promising solution for efficient water distillation.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The First Step into Material Table Dataset for Surface Tension of Nanofluids: Insights from the Case Study of Ethylene Glycol-Based Graphene Nanofluids 进入纳米流体表面张力材料表数据集的第一步：来自乙二醇基石墨烯纳米流体案例研究的见解

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-10 DOI: 10.1007/s10765-025-03553-1

Julian Traciak, Krzysztof Koziol, Magdalena Małecka, Anna Blacha, Sławomir Boncel, Gaweł Żyła

{"title":"The First Step into Material Table Dataset for Surface Tension of Nanofluids: Insights from the Case Study of Ethylene Glycol-Based Graphene Nanofluids","authors":"Julian Traciak, Krzysztof Koziol, Magdalena Małecka, Anna Blacha, Sławomir Boncel, Gaweł Żyła","doi":"10.1007/s10765-025-03553-1","DOIUrl":"10.1007/s10765-025-03553-1","url":null,"abstract":"<div><p>This study investigates the density and surface tension properties of graphene flake-ethylene glycol (GF-EG) nanofluids. The experimental results demonstrate that the density of GF-EG nanofluids increases with nanoparticle mass fractions while exhibiting a linear decrease with temperature. Surface tension measurements reveal a consistent reduction compared to pure ethylene glycol, aligning with a previously established model that attributes this behavior to nanoparticle saturation at the fluid surface. Notably, the averaged surface tension values for GF-EG nanofluids at 298.15 K were determined to be 47.906 mN <span>(cdot {rm m}^{-1})</span>. A key contribution of this work is the introduction of the concept of a material data table for nanofluids, which aims to consolidate fragmented experimental data into a standardized framework. Such a dataset would enable more accurate prediction of surface tension behavior in different nanofluid systems and facilitate advances in artificial intelligence-based modeling that can identify correlations between nanoparticle characteristics and surface tension, enabling rapid optimization of nanofluids for specific applications. This study not only provides new insights into GF-EG nanofluids in terms of surface tension, but also highlights the transformative potential of artificial intelligence in accelerating the discovery and implementation of next-generation heat transfer fluids.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An Accurate Thermodynamic Model to Characterise Dissociating N2O4 at Vapour–Liquid Equilibrium States 表征汽液平衡态解离N2O4的精确热力学模型

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2025-05-10 DOI: 10.1007/s10765-025-03565-x

Konstantin Samukov, David Vega-Maza, Eric W. Lemmon, Vladimir Diky, Silvia Lasala

{"title":"An Accurate Thermodynamic Model to Characterise Dissociating N2O4 at Vapour–Liquid Equilibrium States","authors":"Konstantin Samukov, David Vega-Maza, Eric W. Lemmon, Vladimir Diky, Silvia Lasala","doi":"10.1007/s10765-025-03565-x","DOIUrl":"10.1007/s10765-025-03565-x","url":null,"abstract":"<div><p>A new thermodynamic model is presented, capable of accurately representing the vapour–liquid equilibrium pressures and densities, and liquid phase densities and enthalpies of dissociating dinitrogen tetroxide (N<sub>2</sub>O<sub>4</sub> ⇄ 2NO<sub>2</sub>). The model is based on the Peng-Robinson equation of state coupled with advanced mixing rules. The -required but non-measurable- critical coordinates of the pure components forming the reactive mixtures are optimized, within a variability range defined in a previous study, to fit experimental vapour–liquid equilibrium data. The optimized parameters are then validated by comparing calculated thermodynamic properties with available experimental data in the subcritical region. The negligible impact of the higher temperature reaction 2NO<sub>2</sub> ⇄ 2NO + O<sub>2</sub>, within the vapour–liquid equilibrium region where the optimisation is performed, is also proven. The resulting model is finally compared with the currently most accurate available equation of state, showing comparable results when considered both the scatter in available experimental data and the relative simplicity of the proposed equation of state. In particular, the proposed model demonstrates the satisfactory capability of a cubic equation of state to accurately reproduce both saturation pressures and saturation densities without requiring volume translation.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 7","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03565-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143932301","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0