RT journal article T1 Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights A1 Martínez Merino, Paloma A1 Midgley, Scott A1 Martín, Elisa I. A1 Estellé, Patrice A1 Alcántara Puerto, Rodrigo A1 Sánchez Coronilla, Antonio A1 Grau Crespo, Ricardo A1 Navas Pineda, Francisco Javier A2 Química Física K1 WS2 nanosheets K1 nanofluids K1 dissociative adsorption K1 ab initio molecular dynamics K1 surface chemistry K1 concentrating solar powe AB Nano-colloidal suspensions of nanomaterials in afluid, nanofluids, are appealing because of their interestingproperties related to heat transfer processes. While nanomaterialsbased on transition metal chalcogenides (TMCs) have been widelystudied in catalysis, sensing, and energy storage applications, thereare few studies of nanofluids based on TMCs for heat transferapplications. In this study, the preparation and analysis ofnanofluids based on 2D-WS2 in a typical heat transfer fluid(HTF) used in concentrating solar power (CSP) plants arereported. Nanofluids prepared using an exfoliation processexhibited well-defined nanosheets and were highly stable. The nanofluids were characterized in terms of properties related to their application in CSP. The presence of WS2 nanosheets did not modify significantly the surface tension, the viscosity, or the isobaric specific heat, but the thermal conductivity was improved by up to 30%. The Ur factor, which characterizes the thermal efficiency of the fluid in the solar collector, shows an enhancement of up to 22% in the nanofluid, demonstrating great promise for CSP applications. The Reynolds number and friction factor of the fluid were not significantly modified by the addition of the nanomaterial to the HTF, which is also positive for practical applications in CSP plants. Ab initio molecular dynamics simulations of the nanoparticle/fluid interface showed an irreversible dissociative adsorption of diphenyl oxide molecules on the WS2 edge, with very low kinetic barrier. The resulting “decoration” of the WS2 edge dramatically affects the nature of the interface interactions and is therefore expected to affect significantly the rheological and transport properties of the nanofluids. PB AMER CHEMICAL SOC SN 1944-8252 YR 2020 FD 2020 LK http://hdl.handle.net/10498/30304 UL http://hdl.handle.net/10498/30304 LA eng DS Repositorio Institucional de la Universidad de Cádiz RD 11-nov-2026