RT journal article T1 Investigation of enhanced thermal properties in NiO-based nanofluids for concentrating solar power applications: A molecular dynamics and experimental analysis A1 Aguilar Sánchez, María Teresa A1 Navas Pineda, Francisco Javier A1 Sánchez Coronilla, Antonio A1 Martín, Elisa I. A1 Gallardo Bernal, Juan Jesús A1 Martínez Merino, Paloma A1 Gómez Villarejo, Roberto A1 Piñero Charlo, José Carlos A1 Alcántara Puerto, Rodrigo A1 Fernández Lorenzo, Concepción A2 Química Física AB Nanofluids could be a promising alternative to the typical heat transfer fluids (HTF) used in concentrating solar power. This study analyses nanofluids based on a typical HTF for concentrating solar power (CSP) applications and NiO nanoparticles. The optimum nanoparticle concentration was determined by analysing the stability of the nanofluids. Some of their properties, such as density, viscosity, isobaric specific heat and thermal con- ductivity, were characterized to evaluate their performance. Their thermal conductivity increased by up to 96% and the heat transfer coefficient by 50%. Molecular dynamics calculations were performed to explain from a molecular perspective how the presence of equal proportions of two surfactants, benzalkonium chloride (BAC) and 1-Octadecanethiol (ODT), enhanced the thermal properties of the NiO nanofluid. The isobaric specific heat and thermal conductivity values followed the same experimental tendency. The analysis of the radial distribu- tion functions (RDFs) and spatial distribution functions (SDFs) revealed an inner layer of base fluid and sur- factant molecules around the NiO cell. This first layer contained BAC molecules at all the temperatures, while ODT was only incorporated at higher temperatures. The exchange of surfactant and base fluid molecules around the NiO as the temperature increases may play an important role in the enhancement of the thermal properties. PB Elsevier SN 0306-2619 YR 2018 FD 2018 LK http://hdl.handle.net/10498/30435 UL http://hdl.handle.net/10498/30435 LA eng DS Repositorio Institucional de la Universidad de Cádiz RD 22-sep-2026