International Journal of Thermophysics最新文献_第3页

Investigating Molecular Interactions in O-Toluidine and 1-Alkanol via Density, Viscosity and DFT Analyses 通过密度、粘度和 DFT 分析研究 O-Toluidine 和 1-Alkanol 中的分子相互作用

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-10-11 DOI: 10.1007/s10765-024-03442-z

Fatemeh Alboghobeish, Ayeh Rayatzadeh, Mohammad Almasi, Neda Hasanzadeh

{"title":"Investigating Molecular Interactions in O-Toluidine and 1-Alkanol via Density, Viscosity and DFT Analyses","authors":"Fatemeh Alboghobeish, Ayeh Rayatzadeh, Mohammad Almasi, Neda Hasanzadeh","doi":"10.1007/s10765-024-03442-z","DOIUrl":"10.1007/s10765-024-03442-z","url":null,"abstract":"<div><p>In this study, we performed a combined density functional theory (DFT) and experimental investigation of the hydrogen bonding strength and thermodynamic properties in mixtures of o-toluidine and 1-alkanol (1-propanol to 1-hexanol). The DFT calculations were carried out using the M05-2X/6–311 + + G ∗ ∗ computational level to optimize the structures and calculate the hydrogen bonding energies. The experimental measurements were conducted using density and viscosity measurements to determine excess and deviation properties, and unraveling the strength of molecular interactions in the mixtures. The results showed that the hydrogen bonding strength and thermodynamic behavior of the mixtures were strongly influenced by the length of the alkyl chain in the 1-alkanol molecule. The DFT calculations revealed that the hydrogen bonding energies decreased with increasing alkyl chain length, while the experimental measurements showed that the excess molar volumes are increased and deviation in the viscosity are decreased. Overall, this study provides valuable insights into the interplay between hydrogen bonding and thermodynamics in o-toluidine and 1-alkanol mixtures and highlights the importance of combining DFT calculations and experimental measurements to understand complex intermolecular interactions.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-024-03442-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142411384","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

Reference Correlation for the Viscosity of Nitrogen from the Triple Point to 1000 K and Pressures up to 2200 MPa 从三相点到 1000 K 和压力高达 2200 MPa 的氮粘度参考相关性

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-10-10 DOI: 10.1007/s10765-024-03440-1

Marcia L. Huber, Richard A. Perkins, Eric W. Lemmon

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Experimental and Modeling Molecular Interactions Between Ethyl Myristate and 2-Alkanol 肉豆蔻酸乙酯与 2-烷醇之间的分子相互作用的实验和建模

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-10-04 DOI: 10.1007/s10765-024-03438-9

Mohammad Almasi, Ariel Hernández

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Crucible-less Processing of Ti with TiC Heterogeneous Nucleation Site Particles by Electrostatic Levitation 通过静电悬浮法无坩埚加工钛与钛碳异质成核点颗粒

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-28 DOI: 10.1007/s10765-024-03435-y

Yoshimi Watanabe, Goro Takahashi, Ryosei Saguchi, Hisashi Sato, Hirokazu Aoki, Shinsuke Suzuki, Shizuka Nakano, Yuki Watanabe, Chihiro Koyama, Hirohisa Oda, Takehiko Ishikawa

{"title":"Crucible-less Processing of Ti with TiC Heterogeneous Nucleation Site Particles by Electrostatic Levitation","authors":"Yoshimi Watanabe, Goro Takahashi, Ryosei Saguchi, Hisashi Sato, Hirokazu Aoki, Shinsuke Suzuki, Shizuka Nakano, Yuki Watanabe, Chihiro Koyama, Hirohisa Oda, Takehiko Ishikawa","doi":"10.1007/s10765-024-03435-y","DOIUrl":"10.1007/s10765-024-03435-y","url":null,"abstract":"<div><p>In this study, the microstructure, hardness, density, viscosity, and surface tension of molten pure Ti with TiC particles were studied via electrostatic levitation experiments, where the electrostatic levitation experiment involved container-less processing, which can suppress heterogeneous nucleation via crucibles. Microstructural observation revealed long needle-shaped α-grains across the whole area in the pure Ti sample. On the other hand, smaller needle-shaped α-grains were found in the samples with TiC particles. However, the detailed microstructural analysis of Ti + 0.7vo l%TiC sample revealed that the fine α-grains observed in the Ti + 0.7vo l%TiC are transformed from single grain of prior β phase. This is because the TiC particles dissolve into the molten Ti during the electrostatic levitation experiment. Instead, Ti–rich TiC precipitates formed by cooling can act as pinning sites rather than heterogeneous nucleation sites, which results in a finer microstructure for the samples with TiC particles during the electrostatic levitation experiment. The density of the samples is linearly related to the temperature, and it decreases with increasing temperature. In addition, a higher density is observed for the samples with TiC particles. Although linear relationships between the surface tension and temperature were found, the addition of TiC particles had no notable effect on the viscosity of the molten pure Ti.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-024-03435-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142414804","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}

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Exploring Graphite-Based Thermal Greases For Optimal Microelectronic Device Cooling 探索石墨基导热硅脂，优化微电子设备冷却效果

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-26 DOI: 10.1007/s10765-024-03437-w

Roman Shishkin, Vicktoria Arkhipova, Nina Zhirenkina, Zillara Fattakhova, Andrey Leshok

{"title":"Exploring Graphite-Based Thermal Greases For Optimal Microelectronic Device Cooling","authors":"Roman Shishkin, Vicktoria Arkhipova, Nina Zhirenkina, Zillara Fattakhova, Andrey Leshok","doi":"10.1007/s10765-024-03437-w","DOIUrl":"10.1007/s10765-024-03437-w","url":null,"abstract":"<div><p>The quest for effective thermal management solutions for microelectronic devices, catering to the escalating heat flows, necessitates innovative strategies. The significance of thermal interface materials, especially thermal greases, in minimizing thermal resistance within the \"microelectronic device—heat-dissipating element\" interface, has been widely acknowledged across industries such as microelectronics, aviation, and space engineering. Despite the promising reported values, a crucial consideration entails the method of ascertaining effective thermal conductivity, necessitating measurements in bulk samples to ensure accurate representations. Graphite, owing to its commercial accessibility and commendable thermal conductivity, emerges as a standout candidate for composite material development, as demonstrated in recent research. We observed that the use of graphite-based fillers, particularly in the form of well-crystallized graphite particles, effectively reduced processor temperatures and enhanced effective thermal conductivity, outperforming industrially utilized thermal greases. Our findings accentuate the potential of these materials in contributing to the development of cutting-edge composite materials for microelectronics, highlighting their high prospects for future applications in high-performance devices.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142414065","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

Characterizing Temperature-Dependent Acoustic and Thermal Tissue Properties for High-Intensity Focused Ultrasound Computational Modeling 为高强度聚焦超声计算建模确定与温度相关的声学和热学组织特性

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-26 DOI: 10.1007/s10765-024-03436-x

Sarah G. Sanderson, Brian Easthope, Caio Farias, Isaac Doddridge, Jason A. Cook, David B. Dahl, Christopher R. Dillon

{"title":"Characterizing Temperature-Dependent Acoustic and Thermal Tissue Properties for High-Intensity Focused Ultrasound Computational Modeling","authors":"Sarah G. Sanderson, Brian Easthope, Caio Farias, Isaac Doddridge, Jason A. Cook, David B. Dahl, Christopher R. Dillon","doi":"10.1007/s10765-024-03436-x","DOIUrl":"10.1007/s10765-024-03436-x","url":null,"abstract":"<div><p>High-intensity focused ultrasound (HIFU) thermal therapies utilize concentrated sound waves to ablate diseased tissue at precise locations within the body. Computational simulations of HIFU can assist clinicians by predicting the death of target tissues, identifying sensitive healthy tissues that risk thermal damage, and optimizing acoustic power delivery to minimize treatment times and maximize treatment efficacy. Accurate simulations require accurate inputs, and many computational solvers neglect property changes induced by tissue heating during treatment. Additionally, temperature-dependent tissue property data in the literature are relatively scarce. This study presents methodology for characterizing temperature-dependent acoustic and thermal properties in ex vivo porcine muscle tissue. From 20 – 50 °C, speed of sound is found to increase from approximately 1580 – 1620 m/s. The acoustic attenuation coefficient increases for 20 – 50 °C from 0.09 – 0.24 Np/cm at 0.5 MHz and 0.16 – 0.37 Np/cm at 1.6 MHz. Thermal conductivity and thermal diffusivity increase from 0.52 – 0.55 W/m °C and 0.147 – 0.158 mm<sup>2</sup>/s, respectively, over 20 – 60 °C. Specific heat capacity increases from approximately 3500 – 3800 J/kg °C, over 20 – 80 °C. Each property is consistent with data found in the literature, extends the literature to a larger temperature range, and, for acoustic properties, extends to unique frequencies. Temperature-dependent predictive models are also developed for each of the five properties. This study’s property measurement methodologies can be used to characterize other biological tissues, and the predictive models developed herein will facilitate future efforts in temperature-dependent modeling and uncertainty quantification of HIFU thermal therapies.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-024-03436-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142414070","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

Speed of Sound Measurements of R-1130(E) and an Azeotropic Blend of R-1336mzz(Z)/1130(E) R-1130(E) 和 R-1336mzz(Z)/1130(E) 共沸混合物的声速测量值

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-26 DOI: 10.1007/s10765-024-03416-1

Aaron J. Rowane

{"title":"Speed of Sound Measurements of R-1130(E) and an Azeotropic Blend of R-1336mzz(Z)/1130(E)","authors":"Aaron J. Rowane","doi":"10.1007/s10765-024-03416-1","DOIUrl":"10.1007/s10765-024-03416-1","url":null,"abstract":"<div><p>Sound speed data measured using a dual-path pulse-echo instrument are reported for pure <i>trans</i>-1,2-dichloroethene (R-1130(E)) and an azeotropic blend of <i>cis</i>-1,1,1,4,4,4-hexafluorobutene (R-1336mzz(Z)) and R-1130(E) with a composition of 74.8 mass % R-1336mzz(Z) with the balance being R-1130(E). The azeotropic blend of R-1336mzz(Z)/1130(E) is classified as R-514A in ANSI/ASHRAE standard 34. Liquid phase speed of sound data are reported from just above the saturation pressure of pure R-1130(E) or the bubble point pressure of R-514A to a maximum pressure of 26.7 MPa. The relative combined expanded uncertainty in the speed of sound varies from 0.032 % to 0.148 % with the greatest deviations occurring at the lowest sound speeds. At present, no reference Helmholtz-energy-explicit equation of state (EOS) is available for R-1130(E). Therefore, the reported data for pure R-1130(E) are compared to an extended corresponding states (ECS) model. Deviations between the pure R-1130(E) sound speed data and the ECS model were found to be consistently negative ranging between − 4.1 % and − 3.5 %. The R-514A data are compared to a multifluid model inclusive of the established reference Helmholtz-energy-explicit EOS for R-1336mzz(Z) and ECS model for R-1130(E) with estimated binary interaction parameters. Deviations between the experimental speed of sound data and the multifluid model were also found to be consistently negative. However, deviations from the multifluid model were found to be as great as − 17.1 %. The large deviations from the ECS model and multifluid model underscore the need for a robust Helmholtz-energy-explicit EOS for R-1130(E).</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10765-024-03416-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142414235","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}

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Note on the Kinetic Energy Correction for Capillary Viscometers 毛细管粘度计动能校正说明

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-23 DOI: 10.1007/s10765-024-03432-1

Kenneth R. Harris

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Neural Network-Based Modeling of the Interplay between Composition, Service Temperature, and Thermal Conductivity in Steels for Engineering Applications 基于神经网络的工程应用钢材成分、使用温度和导热性相互作用模型

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-23 DOI: 10.1007/s10765-024-03434-z

M. Ishtiaq, S. Tiwari, B. B. Panigrahi, J. B. Seol, N. S. Reddy

{"title":"Neural Network-Based Modeling of the Interplay between Composition, Service Temperature, and Thermal Conductivity in Steels for Engineering Applications","authors":"M. Ishtiaq, S. Tiwari, B. B. Panigrahi, J. B. Seol, N. S. Reddy","doi":"10.1007/s10765-024-03434-z","DOIUrl":"10.1007/s10765-024-03434-z","url":null,"abstract":"<div><p>The present study presents an artificial neural network (ANN) model developed to predict the thermal conductivity of steels at different service temperatures based on their composition. The model was developed using a comprehensive database of 413 datasets, spanning diverse steel compositions and pure iron across a temperature spectrum from 0 ºC to 1200 ºC, extracted from literature. The ANN model, with steel composition and temperature as inputs and thermal conductivity as output, underwent meticulous experimentation, resulting in an optimal architecture among 291 variations. The model was trained using 253 datasets and validated against an unseen dataset of 160 data points. The model exhibited superior predictive accuracy, boasting an R<sup>2</sup> of 98.42%, Pearson's r of 99.21%, and a mean average error of 1.165 for unseen data. The user-friendly software derived from this model facilitates the accurate prediction of thermal conductivity for a wide range of steels, providing a valuable source for industry professionals and researchers.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142413381","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}

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Thermophysical Properties of Clathrate Hydrates with Various Guests for Novel Technologies: A Review 新型技术中含有各种客体的凝块水合物的热物理性质：综述

IF 2.5 4区工程技术

International Journal of Thermophysics Pub Date : 2024-09-23 DOI: 10.1007/s10765-024-03429-w

Keita Yasuda, Ryo Ohmura

{"title":"Thermophysical Properties of Clathrate Hydrates with Various Guests for Novel Technologies: A Review","authors":"Keita Yasuda, Ryo Ohmura","doi":"10.1007/s10765-024-03429-w","DOIUrl":"10.1007/s10765-024-03429-w","url":null,"abstract":"<div><p>Thermophysical properties relevant to clathrate hydrate-based technologies were reviewed. Clathrate hydrates are solids composed of water and guests. The clathrate hydrate-based technologies considered in this study were as follows: carbon capture, utilization, and sequestration; natural gas storage and transportation; ozone storage and transportation; carbon dioxide clathrate hydrate as food; desalination and salt production; separation of tritiated water; cold thermal energy storage; and heat pumps and heat engines. The review was based on the experimentally measured data. The reviewed thermophysical properties were phase equilibrium conditions, formation/decomposition enthalpy, heat capacity, thermal conductivity, interfacial tension, and density. The phase equilibrium conditions determine the operating conditions for the clathrate hydrate-based technologies. The formation/decomposition enthalpy, heat capacity, and thermal conductivity relate to the thermal energy exchange during hydrate formation/decomposition. The interfacial tension is a key parameter when considering the multiphase flow composed of water and guests. The density influences the behavior of clathrate hydrates within the reactor. The relevance between these properties and the clathrate hydrate-based technologies was discussed. The methods correlating the phase equilibrium conditions were also compared in terms of applicability and usefulness. It was revealed that the suitability of the model, which is based on the Clausius–Clapeyron equation or statistical thermodynamic modeling, depends on the purpose of the correlation. Future perspectives of the thermophysical properties of clathrate hydrates were also discussed.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"45 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142413379","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