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Unified Description of the Specific Heat of Ionic Bulk Materials Containing Nanoparticles

  • E. Leonardi
    E. Leonardi
    CRS4, PST, Pula 09010, Italy
    More by E. Leonardi
  • A. Floris*
    A. Floris
    School of Chemistry, University of Lincoln, Brayford Pool, LN6 7TS Lincoln, United Kingdom
    *E-mail: [email protected]
    More by A. Floris
  • S. Bose
    S. Bose
    Centre for Nanotechnology Research, VIT University, Vellore 632014, Tamil Nadu, India
    More by S. Bose
  • , and 
  • B. D’Aguanno
    B. D’Aguanno
    Centre for Nanotechnology Research, VIT University, Vellore 632014, Tamil Nadu, India
Cite this: ACS Nano 2021, 15, 1, 563–574
Publication Date (Web):December 21, 2020
https://doi.org/10.1021/acsnano.0c05892
Copyright © 2020 American Chemical Society

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    Abstract

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    The specific heat behavior in bulk nanomaterials (NMs) obtained by adding nanoparticles to pure suspending media has attracted a lot interest in recent years. Controversial results about NMs specific heat (cp) have been reported in the literature, where nanoparticles (NPs) of different sizes and materials were suspended in solid and liquid salts at different concentrations and temperatures. However, a unified picture explaining the cp enhancements and diminutions by adding NPs to pure salts is still missing. In this work, we present a general theoretical thermostatic model aimed at describing the cp behavior in two-component ionic bulk nanomaterials containing NPs. The model, designed to work in the dilute regime, divides the NM in three regions: bulk suspending medium (SM), nanoparticles, and interface regions. It includes the effects of temperature, NP size, and NP concentration (mass fraction), allowing us to calculate cp variations with respect to the pure SM and the ideal NM (where NP and SM are assumed to not interact). We then use the model to interpret results of our classical molecular dynamics simulations, which we perform in the solid and liquid phases of NMs representative of three different classes, defined according to the atomic interactions at the interface. The analysis reveals nontrivial and competing effects influencing cp, such as system-dependent atomic rearrangements at the interface, vibrations of the NP as a whole and cp variations coming from the individual NP and SM specific heats. Our study contributes to the interpretation of past controversial results and helps in designing NMs with improved thermal properties, which is highly relevant for industrial applications in thermal energy storage and renewable energy production.

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsnano.0c05892.

    • Simulated systems, definition of dilute regime, nanoparticle parameters, MD interaction potentials, cross-interaction potential terms between NPs and SM, derivation of the xsm,int expression (eq 6), derivation of the cP,ex(T, σ) excess term (eqs 7 and 8), and modification of NPs surface due to the interaction with the suspending medium (PDF)

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    Cited By

    This article is cited by 7 publications.

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    2. Dima Bolmatov. The Phonon Theory of Liquids and Biological Fluids: Developments and Applications. The Journal of Physical Chemistry Letters 2022, 13 (31) , 7121-7129. https://doi.org/10.1021/acs.jpclett.2c01779
    3. Zizhou Huang, Qing Li, Yu Qiu. Enhancements in thermal properties of binary alkali chloride salt by Al2O3 nanoparticles for thermal energy storage. Energy 2024, 301 , 131584. https://doi.org/10.1016/j.energy.2024.131584
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    6. A. Svobodova-Sedlackova, C. Barreneche, P. Gamallo, A.I. Fernández. Novel sampling procedure and statistical analysis for the thermal characterization of ionic nanofluids. Journal of Molecular Liquids 2022, 347 , 118316. https://doi.org/10.1016/j.molliq.2021.118316
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