International Journal of Thermophysics最新文献

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Cross Second Virial Coefficients of the N2–H2, O2–H2, and CO2–H2 Systems from First Principles
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-15 DOI: 10.1007/s10765-025-03524-6
Robert Hellmann, Eckard Bich
{"title":"Cross Second Virial Coefficients of the N2–H2, O2–H2, and CO2–H2 Systems from First Principles","authors":"Robert Hellmann,&nbsp;Eckard Bich","doi":"10.1007/s10765-025-03524-6","DOIUrl":"10.1007/s10765-025-03524-6","url":null,"abstract":"<div><p>The cross second virial coefficients <span>(B_{12})</span> for interactions of molecular nitrogen (N<sub>2</sub>) with molecular hydrogen (H<sub>2</sub>), of molecular oxygen (O<sub>2</sub>) with H<sub>2</sub>, and of carbon dioxide (CO<sub>2</sub>) with H<sub>2</sub> were obtained at temperatures ranging from 36 K to 2000 K for the former two systems and from 100 K to 2000 K for the latter system from new rigid-rotor intermolecular potential energy surfaces (PESs) for the three molecule pairs. Each PES is based on interaction energies calculated for a large number of pair configurations employing high-level quantum-chemical <i>ab initio</i> methods up to coupled cluster with single, double, triple, and perturbative quadruple excitations [CCSDT(Q)]. Core-core and core-valance correlation and relativistic effects were accounted for as well. <span>(B_{12})</span> values were extracted from the PESs classically and semiclassically using the Mayer-sampling Monte Carlo approach. The deficiencies of the semiclassical calculations at the lowest temperatures were partly remedied by a more rigorous treatment of translational quantum effects using the phase-shift method. The results for the N<sub>2</sub>–H<sub>2</sub> and CO<sub>2</sub>–H<sub>2</sub> systems are in excellent agreement with the most accurate experimental data. For the O<sub>2</sub>–H<sub>2</sub> system, there are no experimental <span>(B_{12})</span> data because this mixture is highly explosive. There are, however, previous first-principles results for <span>(B_{12})</span> of this system by Van Tat and Deiters [Chem. Phys. <b>457</b>, 171–179 (2015)], which were obtained at a much lower level of sophistication for both the PES and the method to extract <span>(B_{12})</span> and differ significantly from the present <span>(B_{12})</span> values.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03524-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143622119","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
Emissivity and Reflectivity Measurements for Passive Radiative Cooling Technologies
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-15 DOI: 10.1007/s10765-025-03532-6
A. Adibekyan, J. Schumacher, L. Pattelli, J. Manara, S. Meriç, Ö. Bazkir, C. Cucchi, C. Sprengard, G. Pérez, J. Campos, J. Hameury, A. Andersson, S. Clausen,  A. Rasmussen, C. Belotti, S. Efthymiou, M.-N. Assimakopoulos, D. Papadaki, F. Manoocheri, A. Llados, J. Jaramillo-Fernandez, T. Gionfini, M. Ortisi, A. Peter, M. Kleinbub, J. Bante, L. Donath, H. Herzog, C. Monte
{"title":"Emissivity and Reflectivity Measurements for Passive Radiative Cooling Technologies","authors":"A. Adibekyan,&nbsp;J. Schumacher,&nbsp;L. Pattelli,&nbsp;J. Manara,&nbsp;S. Meriç,&nbsp;Ö. Bazkir,&nbsp;C. Cucchi,&nbsp;C. Sprengard,&nbsp;G. Pérez,&nbsp;J. Campos,&nbsp;J. Hameury,&nbsp;A. Andersson,&nbsp;S. Clausen,&nbsp; A. Rasmussen,&nbsp;C. Belotti,&nbsp;S. Efthymiou,&nbsp;M.-N. Assimakopoulos,&nbsp;D. Papadaki,&nbsp;F. Manoocheri,&nbsp;A. Llados,&nbsp;J. Jaramillo-Fernandez,&nbsp;T. Gionfini,&nbsp;M. Ortisi,&nbsp;A. Peter,&nbsp;M. Kleinbub,&nbsp;J. Bante,&nbsp;L. Donath,&nbsp;H. Herzog,&nbsp;C. Monte","doi":"10.1007/s10765-025-03532-6","DOIUrl":"10.1007/s10765-025-03532-6","url":null,"abstract":"<div><p>Due to their optical properties, passive radiative cooling (PRC) materials can effectively reflect solar radiation while simultaneously dissipating heat through the infrared transparency windows using outer space as a cold and renewable heat sink. This makes it possible to achieve sub-ambient temperatures even in direct sunlight without using any electricity for cooling or air-conditioning. However, the accurate determination of these peculiar optical properties is challenging and subject to high uncertainty levels when using commercial instruments available to industrial end users and research laboratories. Within the EU project PaRaMetriC, aiming at establishing a metrological framework for the comparable performance evaluation of PRC technologies, the Physikalisch-Technische Bundesanstalt is leading a work package dedicated to the development of accurate and traceable methods to determine the infrared optical and thermophysical properties of PRC materials. These include reflectivity and emissivity in the broad spectral range from 250 nm to 50 µm, encompassing both, the solar spectrum (250 nm–2500 nm) and the infrared transparency window of the atmosphere (7.1 μm–13 μm) with a target absolute uncertainty of less than 0.03. For this purpose, several candidate benchmark passive cooling materials have been characterized by PTB in the wavelength range between 1.4 µm and 50 µm. The range 250 nm to 1.4 µm will be covered in an upcoming paper. Characterizations of, and comparisons between, reference and end-user measurement techniques applied for the measurements of selected PRC materials will not only allow accurate determination of the thermophysical properties, but also identification of measurement problems and suitable approaches in this rapidly expanding field.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03532-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143622120","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
Measurement and Empirical Model of Viscosity of the Novel Refrigerant R-1132(E)
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-13 DOI: 10.1007/s10765-025-03538-0
Duc Xuan Tran, Atiqur R. Tuhin, Monjur Morshed, Ryuga Hirata, Akio Miyara
{"title":"Measurement and Empirical Model of Viscosity of the Novel Refrigerant R-1132(E)","authors":"Duc Xuan Tran,&nbsp;Atiqur R. Tuhin,&nbsp;Monjur Morshed,&nbsp;Ryuga Hirata,&nbsp;Akio Miyara","doi":"10.1007/s10765-025-03538-0","DOIUrl":"10.1007/s10765-025-03538-0","url":null,"abstract":"<div><p>This study focuses on conducting experimental measurements of the viscosity of R-1132(E) and on developing empirical models from the collected data to support engineering system design calculations. R-1132(E) is recognized as a potential candidate of next-generation refrigerant suitable for air conditioning applications, owing to its low global warming potential of less than 1. The viscosity of R-1132(E) in both its liquid and vapor phases was measured using the tandem capillary tube method. This technique utilizes a series arrangement of two capillary tubes to mitigate end effects, thus ensuring precise viscosity measurements. The experimental data were obtained over a range of temperatures from 233 K to 335 K in the liquid phase and from 333 K to 373 K in the vapor phase, with pressures varying from 2.0 MPa to 4.0 MPa. The research included two series of experiments, each targeting different temperature ranges: low temperatures (233 K to 293 K) and high temperatures (303 K to 373 K) maintaining adherence to consistent measurement principles. The expanded uncertainties of these measurements were calculated as 2.24% for the liquid phase and 2.28% for the vapor phase. In contrast, viscosity models for R-1132(E) were developed employing the Extended Corresponding States and the modified Residual Entropy Scaling techniques. These models, refined through adjustable parameters determined during the modeling process, accurately represent the experimental data within the reported uncertainties.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03538-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143612077","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
Design and Development of Miniature Pd–C Eutectic Fixed Point at CSIR-NPL
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-10 DOI: 10.1007/s10765-025-03525-5
Ashish Bhatt, Umesh Pant, Saroj Sharma,  Babita, Hansraj Meena, Gaurav Gupta, Komal Bapna, D. D. Shivagan
{"title":"Design and Development of Miniature Pd–C Eutectic Fixed Point at CSIR-NPL","authors":"Ashish Bhatt,&nbsp;Umesh Pant,&nbsp;Saroj Sharma,&nbsp; Babita,&nbsp;Hansraj Meena,&nbsp;Gaurav Gupta,&nbsp;Komal Bapna,&nbsp;D. D. Shivagan","doi":"10.1007/s10765-025-03525-5","DOIUrl":"10.1007/s10765-025-03525-5","url":null,"abstract":"<div><p>The calibration of thermocouples (TCs) up to 1600 °C at CSIR-NPL, at present, uses the ITS-90 defined fixed points and the secondary fixed points such as Au and Pd using the ‘wire-bridge technique.’ In this technique, there is a loss of 2 to 3 cm of wire from the hot junction end of TCs for each calibration. To prevent this wire loss, CSIR-NPL intends to replace the wire-bridge-technique with the use of metal–carbon eutectic fixed-point cells. CSIR-NPL has established Fe–C, Co–C, and Ni–C eutectic cells for calibration of thermocouples to 1329 °C. In this paper, we present the design, material used, and construction of miniature Pd–C (1492 °C) eutectic cell with in-house development efforts at CSIR-NPL. Particular attention has been given to the repeatability and long-term stability of the phase transition temperatures using Type-S TC and the mechanical robustness of the miniature Pd–C eutectic fixed-point cell. The temperature was assigned to a miniature Pd–C cell using a Type-S TC calibrated using ITS-90 fixed points at Sn, Zn, Al, Ag, Cu, and Pd wire. The assigned temperature to the miniature Pd–C eutectic fixed-point cell is 1491.45 °C with expanded uncertainty of ± 0.64 °C (<i>k</i> = 2). For robustness and long-term stability, the Pd–C fixed point performance was evaluated from Nov-2022 to Sep-2024, and the observed standard deviations were 0.35 µV (0.03 °C) and 2.07 µV (0.17 °C) for melting and freezing profiles, respectively. The miniature Pd–C eutectic fixed-point cell is being used for thermocouple calibration services.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143583415","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
Solvation and Related Thermochemical Behavior of DL-Valine in Aqueous Univalent Electrolytes for Temperatures from 288.15 K to 323.15 K
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-10 DOI: 10.1007/s10765-025-03534-4
Simanta Kundu, Jit Chakraborty, Perwez Alam, Avishek Saha, Sintu Ganai, Puspal Mukherjee, Kalachand Mahali, Sanjay Roy
{"title":"Solvation and Related Thermochemical Behavior of DL-Valine in Aqueous Univalent Electrolytes for Temperatures from 288.15 K to 323.15 K","authors":"Simanta Kundu,&nbsp;Jit Chakraborty,&nbsp;Perwez Alam,&nbsp;Avishek Saha,&nbsp;Sintu Ganai,&nbsp;Puspal Mukherjee,&nbsp;Kalachand Mahali,&nbsp;Sanjay Roy","doi":"10.1007/s10765-025-03534-4","DOIUrl":"10.1007/s10765-025-03534-4","url":null,"abstract":"<div><p>This research chiefly surveys the changes in the solubility and thermochemical behavior of DL-valine due to the existence of univalent electrolytes—namely, sodium bromide and potassium bromide—in an aqueous medium. The experiments were conducted in the temperature range from 288.15 K to 323.15 K using gravimetric analysis. Both bromides show salting-in effect which in turn implicates a large impact on the solubility of the investigated amino acid in the reaction medium. The values of the calculated thermodynamic parameters provide evidence towards the stability of the ions in the solution. The stability is mainly governed by the noncovalent processes, such as dissolution (and its stability) and short-range interactions (e.g., acid–base, solvent–solvent, and solute–solvent). This study provides insights into the molecular interactions and energetics that influence the solvation of the amino acid under diverse experimental conditions.</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 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143583413","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
Viscosity and Density Measurement and Modeling in Methyl Levulinate and 1-Alkanol Mixtures
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-10 DOI: 10.1007/s10765-025-03536-2
Mohammad Almasi, Mohammad Reza Mohebbifar
{"title":"Viscosity and Density Measurement and Modeling in Methyl Levulinate and 1-Alkanol Mixtures","authors":"Mohammad Almasi,&nbsp;Mohammad Reza Mohebbifar","doi":"10.1007/s10765-025-03536-2","DOIUrl":"10.1007/s10765-025-03536-2","url":null,"abstract":"<div><p>This study presents an investigation into the density and viscosity measurements of binary fluids composed of methyl levulinate (ML) and primary aliphatic alcohols (ranging from 1-butanol to 1-heptanol) across 293.15 K to 323.15 K. Using measurement techniques, the excess molar volumes and viscosity deviations were systematically analyzed, revealing that steric effects from the alcohol chains dominate over hydrogen-bonding interactions in these systems. The results demonstrate that longer alkyl chains significantly weaken intermolecular interactions, leading to increasingly negative viscosity deviations. To advance the state of the art in thermodynamic measurement and modeling, the PC-SAFT model was employed to predict mixture densities, achieving a high correlation to experimental density. The maximum deviation observed for the methyl levulinate + 1-pentanol system was only 0.94 %, underscoring the model’s reliability and practical utility for optimizing measurement-based applications. This work not only provides critical insights into the role of steric effects in complex liquid systems but also contributes to the development of measurement methodologies for thermophysical property analysis.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143583414","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
Thermodynamic Conventions
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-07 DOI: 10.1007/s10765-025-03533-5
Montserrat Filella, Eric F. May, Peter M. May
{"title":"Thermodynamic Conventions","authors":"Montserrat Filella,&nbsp;Eric F. May,&nbsp;Peter M. May","doi":"10.1007/s10765-025-03533-5","DOIUrl":"10.1007/s10765-025-03533-5","url":null,"abstract":"<div><p>Despite wide use, thermodynamic conventions are almost never presented explicitly as a topic in textbooks, lectures or publications covering metrology and uncertainty. Their meaning, and the particular need for them, is typically just taken for granted. Consequently, an uncritical acceptance and lack of understanding of their implications can often start in the classroom and persist long after, with unfortunate consequences that undermine some important metrological definitions and practices. Thermodynamic conventions generally create reference scales that allow properties which can only be measured as differences (such as enthalpy and electrode potentials) to be expressed in absolute terms for practical convenience. However, the arbitrary nature of these choices made when selecting and implementing any such convention is not only puzzling to students but can also confuse thermodynamic or metrological specialists. If, as a consequence, thermodynamic conventions are not properly understood, theoretical and experimental progress can become stuck within prevailing paradigms. In this work, we identify two such cases relating to pH and Gibbs energies of reaction, and show how more nuanced understandings of thermodynamic convention as a concept enable better choices and lead to improved scientific outcomes.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 5","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03533-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143564402","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
Phase Equilibrium of n-Nonane + n-Decane for Low-Temperature Thermal Energy Storage: Insights into Odd–Even Effects
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-06 DOI: 10.1007/s10765-025-03531-7
Maria C. M. Sequeira, Timur Nikitin, Fernando J. P. Caetano, Hermínio P. Diogo, João M. N. A. Fareleira, Rui Fausto
{"title":"Phase Equilibrium of n-Nonane + n-Decane for Low-Temperature Thermal Energy Storage: Insights into Odd–Even Effects","authors":"Maria C. M. Sequeira,&nbsp;Timur Nikitin,&nbsp;Fernando J. P. Caetano,&nbsp;Hermínio P. Diogo,&nbsp;João M. N. A. Fareleira,&nbsp;Rui Fausto","doi":"10.1007/s10765-025-03531-7","DOIUrl":"10.1007/s10765-025-03531-7","url":null,"abstract":"<div><p>The present article presents the solid–liquid phase diagram of a binary system composed of an <i>n</i>-alkane with an odd number of carbon atoms, namely, <i>n</i>-nonane (<i>n</i>-C<sub>9</sub>), with an even-numbered one, namely <i>n</i>-decane (<i>n</i>-C<sub>10</sub>). This work is part of a series of phase equilibrium studies on <i>n</i>-alkanes for low-temperature thermal energy storage (TES) applications. The ultimate purpose of this work is to investigate the adequacy of this binary system to be used as a Phase Change Material (PCM) at low temperatures. Additionally, along the equilibrium studies on linear alkanes, an interesting feature has emerged: the solid–liquid phase diagrams of binary <i>n</i>-alkane systems apparently show a striking dependence on the odd or even number of carbon atoms in their chains. The phase diagram for the system <i>n</i>-C<sub>9</sub> + <i>n</i>-C<sub>10</sub> has primarily been obtained using Differential Scanning Calorimetry (DSC), whose results have been complemented by Hot-Stage Microscopy (HSM) and low-temperature Raman Spectroscopy results. The DSC analysis provided both the temperature and enthalpy values for the observed solid–liquid and solid–solid phase transitions. The <i>n</i>-C<sub>9</sub> + <i>n</i>-C<sub>10</sub> binary system seems to display a peritectic solid–liquid phase diagram at low temperatures. The peritectic temperature found was 222.41 K, with a peritectic composition around <i>x</i><sub>nonane</sub> = 0.60. Those results confirmed the initial suggestions that this would be a peritectic system, based on previously observed odd–even effects on phase equilibrium behavior of alkane mixtures. The goal of this work is to extend new insights into the solid–liquid phase equilibrium behavior of the binary system <i>n</i>-C<sub>9</sub> + <i>n</i>-C<sub>10</sub>, a topic not yet covered in the literature. This information, consequently, provides practical and essential information on the potential use of this system as PCM for low-temperature TES applications. Additionally, it contributes to support the important discussion on the effect of odd–even number of carbons of the individual <i>n</i>-alkanes in the solid–liquid phase equilibrium behavior of their binary mixtures. The solid–liquid diagram of this system is being published for the first time, as far as the authors are aware.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-025-03531-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143554146","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
An Artificial Activity Coefficient Model for Emulating Combustion and Physical Property Variations During Evaporation of Liquid Complex Fuel Droplet
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-06 DOI: 10.1007/s10765-025-03528-2
Lei Luo, Kai Hong Luo, Yu Cheng Liu
{"title":"An Artificial Activity Coefficient Model for Emulating Combustion and Physical Property Variations During Evaporation of Liquid Complex Fuel Droplet","authors":"Lei Luo,&nbsp;Kai Hong Luo,&nbsp;Yu Cheng Liu","doi":"10.1007/s10765-025-03528-2","DOIUrl":"10.1007/s10765-025-03528-2","url":null,"abstract":"<div><p>Liquid complex fuels naturally contain hundreds of species with different volatilities, making accurate and efficient droplet vaporization simulations challenging. For computational efficiency, simple surrogate composed of several few components is often used. However, it has been proved that such simple surrogate cannot authentically represent the vaporization behaviors of complex fuels. To address this issue, a modeling approach for droplet evaporation was developed in this work, namely, artificial activity coefficient model for droplet evaporation (AACM-DE). First, this article established a droplet evaporation model for jet fuel RP-3, of which the phase equilibrium was described by a 24-component surrogate fuel with UNIQUAC Functional group Activity Coefficient (UNIFAC). Then, functional group matching method was used to convert this complex surrogate fuel to a 4-component simple surrogate fuel, guaranteeing consistency of their chemical and physical properties during droplet evaporation process. Meanwhile, AACM-DE was derived to regulate the phase equilibrium behaviors of the 4-component mixture, enhancing its capacity to more accurately represent complex fuel vaporization phenomena. Simulation results showed that chemical functional groups, gaseous combustion property targets and liquid physical properties of the 4-component surrogate with AACM-DE agree well with those of the 24-component surrogate with UNIFAC while saving about 30% computing time.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553870","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
Ultrasonic and Volumetric Study of Glycols with an Aqueous Food Preservative (Potassium Sorbate)
IF 2.5 4区 工程技术
International Journal of Thermophysics Pub Date : 2025-03-03 DOI: 10.1007/s10765-025-03527-3
Ansari Ammara Firdaus, Nabaparna Chakraborty, K. C. Juglan
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