The thermal conductivity of molten NaCl and KCl was calculated through the Evans-Gillan nonequilibrium molecular dynamics (NEMD) algorithm and Green-Kubo equilibrium molecular dynamics (EMD) simulations. The EMD simulations were performed for a "binary" ionic mixture and the NEMD simulations assumed a pure system for reasons discussed in this work. The cross thermoelectric coefficient obtained from Green-Kubo EMD simulations is discussed in terms of the homogeneous thermoelectric power or Seebeck coefficient of these materials. The thermal conductivity obtained from NEMD simulations is found to be in very good agreement with that obtained through Green-Kubo EMD simulations for a binary ionic mixture. This result points to a possible cancellation between the neglected "partial enthalpy" contribution to the heat flux associated with the interdiffusion of one species through the other and that part of the thermal conductivity related to the coupled fluxes of charge and heat in "binary" ionic mixtures.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.2734965 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Exploring the structural, elastic, electronic and thermal properties of Ti-Al-Me (Me = Cu, Fe and Ni) alloys by first-principles studies.
Sci Rep
December 2024
School of Materials Science and Engineering, Liaocheng University, Liaocheng, 252059, Shandong, China.
The welding of titanium alloys is an important topic in today's industrial field, and the interaction between the solder and the base material is crucial for the quality of the welded parts. The structural, elastic, electronic, and thermal properties of Ti-Al-Me (Me = Cu, Fe and Ni) alloys (TAMs) with the face-centered cubic structures were investigated using plane-wave pseudo potential method in the framework of density functional theory. Based on the calculated elastic constants combined with empirical and semi-empirical formulas, physical properties including ductility/brittleness, hardness and anisotropy were calculated.
View Article and Find Full Text PDFPhoto-thermal conversion properties of MXene/metal-organic-frameworks-based nanofluids for solar energy harvesting.
J Colloid Interface Sci
December 2024
School of Engineering, Edith Cowan University, Joondalup, WA 6027, Australia. Electronic address:
This study focuses on enhancing solar energy capture efficiency by introducing innovative hybrid nanofluids for use in solar thermal collectors, whose performance largely depends on the absorption properties of the working fluid. The newly developed hybrid nanofluids, MXene/NH2-UiO66 (Zr) (noted as MX/UO66) and MXene/MIL-88B (Fe) (noted as MX/ML88), were synthesized using an in-situ solvothermal method, combining annealed Ti3C2Tx MXenes with water-stable metal-organic frameworks (MOFs). These nanofluids achieved high efficiency at low concentrations, providing both economic and performance benefits.
View Article and Find Full Text PDFHigh photothermal conversion efficiency of RF sputtered TiO Magneli phase thin films and its linear correlation with light absorption capacity.
Sci Rep
December 2024
Centre Énergie, Matériaux Télécommunications, Institut National de la Recherche Scientifique, 1650, Blvd, Lionel-Boulet, Varennes, QC, J3X-1P7, Canada.
RF-sputtering is used to deposit TiO-Magneli-phase films onto various substrates at deposition temperatures (T) ranging from 25 to 650 °C. Not only the structural, but also electrical conductivity, optical absorbance and photothermal properties of the TiO films are shown to change significantly with T. A T of 500 °C is pointed out as the optimal temperature that yields highly-crystalized pure-TiO-Magneli phase with a densely-packed morphology and a conductivity as high as 740 S/cm.
View Article and Find Full Text PDFExperimental and explainable machine learning approach on thermal conductivity and viscosity of water based graphene oxide based mono and hybrid nanofluids.
Sci Rep
December 2024
Department of Mechanical Engineering, Delhi Skill and Entrepreneurship University, Delhi, 110089, India.
This study explores the thermal conductivity and viscosity of water-based nanofluids containing silicon dioxide, graphene oxide, titanium dioxide, and their hybrids across various concentrations (0 to 1 vol%) and temperatures (30 to 60 °C). The nanofluids, characterized using multiple methods, exhibited increased viscosity and thermal conductivity compared to water, with hybrid nanofluids showing superior performance. Graphene oxide nanofluids displayed the highest thermal conductivity and viscosity ratios, with increases of 52% and 177% at 60 °C and 30 °C, respectively, for a concentration of 1 vol% compared to base fluid.
View Article and Find Full Text PDFHighly Efficient, Electro-thermal Heater Based on Marangoni-Driven, Oriented Reduced Graphene Oxide/Poly(ether imide) Nanolaminates.
ACS Appl Mater Interfaces
December 2024
Institute of Chemical Engineering Sciences, Foundation of Research and Technology- Hellas (FORTH/ICE-HT), Stadiou Street, Platani, Patras 26504, Greece.
Due to their outstanding electrical and thermal properties, graphene and related materials have been proposed as ideal candidates for the development of lightweight systems for thermoelectric applications. Recently, the nanolaminate architecture that entails alternation of continuous graphene monolayers and ultrathin polymer films has been proposed as an efficient route for the development of composites with impressive physicochemical properties. In this work, we present a novel layer-by-layer approach for the fabrication of highly ordered, flexible, heat-resistant, and electrically conductive freestanding graphene/polymer nanolaminates through alternating Marangoni-driven self-assembly of reduced graphene oxide (rGO) and poly(ether imide) (PEI) films.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!