The Role of Surfactants in the Stability of NiO Nanofluids: An Experimental and DFT Study

This study shows an analysis of the stability of nanofluids based on a eutectic mixture of diphenyl oxide and biphenyl, which is used as a heat transfer fluid (HTF) in concentrating solar energy, and NiO nanoparticles. Two surfactants are used to analyse the stability of the nanofluids: benzalkonium...

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Veröffentlicht in:Chemphyschem 2017-02, Vol.18 (4), p.346-356
Hauptverfasser: Sánchez‐Coronilla, Antonio, Navas, Javier, Aguilar, Teresa, Martín, Elisa I., Gallardo, Juan Jesús, Gómez‐Villarejo, Mr. Roberto, Carrillo‐Berdugo, Mr. Iván, Alcántara, Rodrigo, Fernández‐Lorenzo, Concha, Martín‐Calleja, Joaquín
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container_end_page 356
container_issue 4
container_start_page 346
container_title Chemphyschem
container_volume 18
creator Sánchez‐Coronilla, Antonio
Navas, Javier
Aguilar, Teresa
Martín, Elisa I.
Gallardo, Juan Jesús
Gómez‐Villarejo, Mr. Roberto
Carrillo‐Berdugo, Mr. Iván
Alcántara, Rodrigo
Fernández‐Lorenzo, Concha
Martín‐Calleja, Joaquín
description This study shows an analysis of the stability of nanofluids based on a eutectic mixture of diphenyl oxide and biphenyl, which is used as a heat transfer fluid (HTF) in concentrating solar energy, and NiO nanoparticles. Two surfactants are used to analyse the stability of the nanofluids: benzalkonium chloride (BAC) and 1‐octadecanethiol (ODT). From an experimental perspective, the stability is analysed by means of UV/Vis spectroscopy, particle size measurements through the dynamic light‐scattering technique, and ζ‐potential measurements. The results show that the stability of the nanofluids improves with the use of BAC. DFT calculations are performed to understand the role played by the surfactants. The interaction of the surfactants with both the fluid and the NiO (100) surface is studied. Quantum theory of atoms in molecules (QTAIM) analysis shows that hydrogen bridge interactions favour the stability of the fluid–surfactant mixture. The more stabilising NiO–surfactant interaction involves the Ni−H interaction of the −SH and −CH3 groups of ODT and BAC. Also, nanofluids with BAC are favoured over those with ODT, which is in agreement with experimental results. The structural and electronic effects of incorporating the surfactant onto the NiO (100) surface are shown by using electron localisation function analysis, the non‐covalent interaction index and projected density of states. Long‐lasting colloids: A new perspective on the study of the stability of colloidal suspension based on the analysis of interactions between heat transfer fluid (HTF)/surfactant/nanoparticles is reported (see figure). An experimental and theoretical analysis is performed for concentrating solar plant applications with several surfactants.
doi_str_mv 10.1002/cphc.201601161
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Two surfactants are used to analyse the stability of the nanofluids: benzalkonium chloride (BAC) and 1‐octadecanethiol (ODT). From an experimental perspective, the stability is analysed by means of UV/Vis spectroscopy, particle size measurements through the dynamic light‐scattering technique, and ζ‐potential measurements. The results show that the stability of the nanofluids improves with the use of BAC. DFT calculations are performed to understand the role played by the surfactants. The interaction of the surfactants with both the fluid and the NiO (100) surface is studied. Quantum theory of atoms in molecules (QTAIM) analysis shows that hydrogen bridge interactions favour the stability of the fluid–surfactant mixture. The more stabilising NiO–surfactant interaction involves the Ni−H interaction of the −SH and −CH3 groups of ODT and BAC. Also, nanofluids with BAC are favoured over those with ODT, which is in agreement with experimental results. The structural and electronic effects of incorporating the surfactant onto the NiO (100) surface are shown by using electron localisation function analysis, the non‐covalent interaction index and projected density of states. Long‐lasting colloids: A new perspective on the study of the stability of colloidal suspension based on the analysis of interactions between heat transfer fluid (HTF)/surfactant/nanoparticles is reported (see figure). 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The structural and electronic effects of incorporating the surfactant onto the NiO (100) surface are shown by using electron localisation function analysis, the non‐covalent interaction index and projected density of states. Long‐lasting colloids: A new perspective on the study of the stability of colloidal suspension based on the analysis of interactions between heat transfer fluid (HTF)/surfactant/nanoparticles is reported (see figure). 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subjects ab initio calculations
colloids
density functional calculations
ELF (electron localization function)
nanofluids
Surfactants
title The Role of Surfactants in the Stability of NiO Nanofluids: An Experimental and DFT Study
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