Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights

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MartÍnez-Merino, P., Midgley, S. D., MartÍn, E. I., EstellÍ, P., Alcántara, R., Sánchez-Coronilla, A., Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Navas, J. (2020) Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights. ACS Applied Materials & Interfaces, 12 (5). pp. 5793-5804. ISSN 1944-8244

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To link to this item DOI: 10.1021/acsami.9b18868

Abstract/Summary

Nano-colloidal suspensions of nanomaterials in a fluid, nanofluids, are appealing because of their interesting properties related to heat transfer processes. Whilst nanomaterials based on transition metal chalcogenides (TMCs) have been widely studied in catalysis, sensing, and energy storage applications, there are few studies of nanofluids based on TMCs for heat transfer applications. In this study, the preparation and analysis of nanofluids based on 2D-WS2 in a typical heat transfer fluid (HTF) used in concentrating solar power (CSP) plants is reported. Nanofluids prepared using an exfoliation process exhibited 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.

Item Type:	Article
Refereed:	Yes
Divisions:	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:	88909
Uncontrolled Keywords:	nanofluids, ab initio molecular dynamics, 2D materials
Publisher:	ACS Publications

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(1) Chen, M. J.; He, Y. R.; Zhu, J. Q.; Wen, D. S. Investigating the Collector Efficiency of Silver Nanofluids Based Direct Absorption Solar Collectors. Appl. Energy 2016, 181, 65-74, DOI: 10.1016/j.apenergy.2016.08.054. (2) Colangelo, G.; Favale, E.; Miglietta, P.; de Risi, A.; Milanese, M.; Laforgia, D. Experimental Test of an Innovative High Concentration Nanofluid Solar Collector. Appl. Energy 2015, 154, 874-881, DOI: 10.1016/j.apenergy.2015.05.031. (3) Mwesigye, A.; Huan, Z. J.; Meyer, J. P. Thermodynamic Optimisation of the Performance of a Parabolic Trough Receiver Using Synthetic Oil-Al2O3 Nanofluid. Appl. Energy 2015, 156, 398-412, DOI: 10.1016/j.apenergy.2015.07.035. (4) Navas, J.; Sánchez-Coronilla, A.; Martín, E. I.; Teruel, M.; Gallardo, J. J.; Aguilar, T.; Gómez-Villarejo, R.; Alcántara, R.; Fernández-Lorenzo, C.; Piñero, J. C.; Martín-Calleja, J. On the Enhancement of Heat Transfer Fluid for Concentrating Solar Power Using Cu and Ni Nanofluids: An Experimental and Molecular Dynamics Study. Nano Energy 2016, 27, 213-224, DOI: 10.1016/j.nanoen.2016.07.004. (5) Nguyen, C. T.; Roy, G.; Gauthier, C.; Galanis, N. Heat Transfer Enhancement Using Al2O3–Water Nanofluid for an Electronic Liquid Cooling System. Appl. Therm. Eng. 2007, 27, 1501-1506, DOI: 10.1016/j.applthermaleng.2006.09.028. (6) Buongiorno, J.; Hu, L.-W.; Kim, S. J.; Hannink, R.; Truong, B.; Forrest, E. Nanofluids for Enhanced Economics and Safety of Nuclear Reactors: An Evaluation of the Potential Features, Issues, and Research Gaps. Nucl. Technol. 2008, 162, 80-91, DOI: 10.13182/NT08-A3934. (7) Ercole, D.; Manca, O.; Vafai, K. An Investigation of Thermal Characteristics of Eutectic Molten Salt-Based Nanofluids. Int. Commun. Heat Mass Transfer 2017, 87, 98-104, DOI: 10.1016/j.icheatmasstransfer.2017.06.022. (8) Khanafer, K.; Vafai, K. A Review on the Applications of Nanofluids in Solar Energy Field. Renewable Energy 2018, 123, 398-406, DOI: 10.1016/j.renene.2018.01.097. (9) Sani, E.; Papi, N.; Mercatelli, L.; Zyla, G. Graphite/Diamond Ethylene Glycol-Nanofluids for Solar Energy Applications. Renewable Energy 2018, 126, 692-698, DOI: 10.1016/j.renene.2018.03.078. (10) Sani, E.; Vallejo, J. P.; Cabaleiro, D.; Lugo, L. Functionalized Graphene Nanoplatelet-Nanofluids for Solar Thermal Collectors. Sol. Energy Mater. Sol. Cells 2018, 185, 205-209, DOI: 10.1016/j.solmat.2018.05.038. (11) Fernández, A. G.; Gomez-Vidal, J.; Oró, E.; Kruizenga, A.; Solé, A.; Cabeza, L. F. Mainstreaming Commercial CSP Systems: A Technology Review. Renewable Energy 2019, 140, 152-176, DOI: 10.1016/j.renene.2019.03.049. (12) Bellos, E.; Tzivanidis, C. Thermal Efficiency Enhancement of Nanofluid-Based Parabolic Trough Collectors. J. Therm. Anal. Calorim. 2019, 135 (1), 597-608, DOI: 10.1007/s10973-018-7056-7. (13) Gomez-Villarejo, R.; Martin, E. I.; Sanchez-Coronilla, A.; Aguilar, T.; Gallardo, J. J.; Martinez-Merino, P.; Carrillo-Berdugo, I.; Alcantara, R.; Fernandez-Lorenzo, C.; Navas, J. Towards the Improvement of the Global Efficiency of Concentrating Solar Power Plants by Using Pt-Based Nanofluids: The Internal Molecular Structure Effect. Appl. Eneryg 2018, 228, 2262-2274, DOI: 10.1016/j.apenergy.2018.07.062. (14) Yasinskiy, A.; Navas, J.; Aguilar, T.; Alcantara, R.; Gallardo, J. J.; Sanchez-Coronilla, A.; Martin, E. I.; De Los Santos, D.; Fernandez-Lorenzo, C. Dramatically Enhanced Thermal Properties for TiO2-Based Nanofluids for Being Used as Heat Transfer Fluids in Concentrating Solar Power Plants. Renewable Energy 2018, 119, 809-819, DOI: 10.1016/j.renene.2017.10.057. (15) Choi, S. U. S. In Enhancing Thermal Conductivity of Fluids with Nanoparticles, 1995 ASME Int Mech Eng Congr Expo, ASME: 1995; pp 99-105. (16) Chen, L. F.; Xie, H. Q.; Li, Y.; Yu, W. Nanofluids Containing Carbon Nanotubes Treated by Mechanochemical Reaction. Thermochim. Acta 2008, 477 (1-2), 21-24, DOI: 10.1016/j.tca.2008.08.001. (17) Xuan, Y. M.; Li, Q. Heat Transfer Enhancement of Nanofluids. Int. J. Heat Fluid Flow 2000, 21 (1), 58-64, DOI: 10.1016/S0142-727x(99)00067-3. (18) Fowkes, F. M. Attractive Forces at Interfaces. Ind. Eng. Chem. 1964, 56 (12), 40-&, DOI: 10.1021/ie50660a008. (19) Owens, D. K.; Wendt, R. C. Estimation of Surface Free Energy of Polymers. J. Appl. Polym. Sci. 1969, 13 (8), 1741-1747, DOI: 10.1002/app.1969.070130815. (20) Owens, D. K. Some Thermodynamic Aspects of Polymer Adhesion. J. Appl. Polym. Sci. 1970, 14 (7), 1725-&, DOI: 10.1002/app.1970.070140706. (21) Navas, J.; Martinez-Merino, P.; Sanchez-Coronilla, A.; Gallardo, J. J.; Alcantara, R.; Martin, E. I.; Pinero, J. C.; Leon, J. R.; Aguilar, T.; Toledo, J. H.; Fernandez-Lorenzo, C. MoS2 Nanosheets vs. Nanowires: Preparation and a Theoretical Study of Highly Stable and Efficient Nanofluids for Concentrating Solar Power. J. Mater. Chem. A 2018, 6 (30), 14919-14929, DOI: 10.1039/c8ta03817a. (22) Shen, J. F.; He, Y. M.; Wu, J. J.; Gao, C. T.; Keyshar, K.; Zhang, X.; Yang, Y. C.; Ye, M. X.; Vajtai, R.; Lou, J.; Ajayan, P. M. Liquid Phase Exfoliation of Two-Dimensional Materials by Directly Probing and Matching Surface Tension Components. Nano Lett. 2015, 15 (8), 5449-5454, DOI: 10.1021/acs.nanolett.5b01842. (23) Gomez-Villarejo, R.; Aguilar, T.; Hamze, S.; Estelle, P.; Navas, J. Experimental Analysis of Water-Based Nanofluids Using Boron Nitride Nanotubes with Improved Thermal Properties. J. Mol. Liq. 2019, 277, 93-103, DOI: 10.1016/j.molliq.2018.12.093. (24) Halelfadl, S.; Estelle, P.; Aladag, B.; Doner, N.; Mare, T. Viscosity of Carbon Nanotubes Water-Based Nanofluids: Influence of Concentration and Temperature. Int. J. Therm. Sci. 2013, 71, 111-117, DOI: 10.1016/j.ijthermalsci.2013.04.013. (25) Schutte, W. J.; Deboer, J. L.; Jellinek, F. Crystal-Structures of Tungsten Disulfide and Diselenide. J. Solid State Chem. 1987, 70 (2), 207-209, DOI: 10.1016/0022-4596(87)90057-0. (26) Hess, P. Strength of Semiconductors, Metals, and Ceramics Evaluated by a Microscopic Cleavage Model with Morse-Type and Lennard-Jones-Type Interaction. J. Appl. Phys. 2014, 116 (5), 053515, DOI: 10.1063/1.4892016. (27) Shah, M. S.; Tsapatsis, M.; Siepmann, J. I. Development of the Transferable Potentials for Phase Equilibria Model for Hydrogen Sulfide. J. Phys. Chem. B 2015, 119 (23), 7041-7052, DOI: 10.1021/acs.jpcb.5b02536. (28) Smith, W.; Forester, T. R. DL_POLY_2.0: A General-Purpose Parallel Molecular Dynamics Simulation Package. J. Mol. Graphics 1996, 14 (3), 136-141, DOI: 10.1016/S0263-7855(96)00043-4. (29) The CP2K Developers Group., Available at: https://www.cp2k.org/ (accessed 3 April 2019). (30) VandeVondele, J.; Krack, M.; Mohamed, F.; Parrinello, M.; Chassaing, T.; Hutter, J. QUICKSTEP: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach. Comput. Phys. Commun. 2005, 167 (2), 103-128, DOI: 10.1016/j.cpc.2004.12.014. (31) VandeVondele, J.; Hutter, J. An Efficient Orbital Transformation Method for Electronic Structure Calculations. J. Chem. Phys. 2003, 118 (10), 4365-4369, DOI: 10.1063/1.1543154. (32) Zhang, Y. K.; Yang, W. T. Comment on "Generalized Gradient Approximation Made Simple". Phys. Rev. Lett. 1998, 80 (4), 890-890, DOI: 10.1103/PhysRevLett.80.890. (33) Grimme, S.; Ehrlich, S.; Goerigk, L. Effect of the Damping Function in Dispersion Corrected Density Functional Theory. J. Comput. Chem. 2011, 32 (7), 1456-1465, DOI: 10.1002/jcc.21759. (34) VandeVondele, J.; Hutter, J. Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases. J. Chem. Phys. 2007, 127 (11), 114105, DOI: 10.1063/1.2770708. (35) Goedecker, S.; Teter, M.; Hutter, J. Separable Dual-Space Gaussian Pseudopotentials. Phys. Rev. B 1996, 54 (3), 1703-1710, DOI: 10.1103/PhysRevB.54.1703. (36) Nose, S. A Unified Formulation of the Constant Temperature Molecular-Dynamics Methods. J. Chem. Phys. 1984, 81 (1), 511-519, DOI: 10.1063/1.447334. (37) Kresse, G.; Furthmuller, J. Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set. Comput. Mater. Sci. 1996, 6 (1), 15-50, DOI: 10.1016/0927-0256(96)00008-0. (38) Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set. Phys. Rev. B 1996, 54 (16), 11169-11186, DOI: 10.1103/PhysRevB.54.11169. (39) Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 1996, 77 (18), 3865-3868, DOI: 10.1103/PhysRevLett.77.3865. (40) Blochl, P. E. Projector Augmented-Wave Method. Phys. Rev. B 1994, 50 (24), 17953-17979, DOI: 10.1103/PhysRevB.50.17953. (41) Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method. Phys. Rev. B 1999, 59 (3), 1758-1775, DOI: 10.1103/PhysRevB.59.1758. (42) Wu, Z. Z.; Wang, D. Z.; Sun, A. K. Surfactant-Assisted Preparation of Hexagonal Molybdenum Disulfide Nanoparticles. Mater. Let.t 2009, 63 (29), 2591-2593, DOI: 10.1016/j.matlet.2009.07.050. (43) Zhang, X. H.; Lei, W. N.; Ye, X.; Wang, C.; Lin, B. C.; Tang, H.; Li, C. S. A Facile Synthesis and Characterization of Graphene-Like WS2 Nanosheets. Mater. Lett. 2015, 159, 399-402, DOI: 10.1016/j.matlet.2015.07.044. (44) Coleman, J. N.; Lotya, M.; O'Neill, A.; Bergin, S. D.; King, P. J.; Khan, U.; Young, K.; Gaucher, A.; De, S.; Smith, R. J.; Shvets, I. V.; Arora, S. K.; Stanton, G.; Kim, H. Y.; Lee, K.; Kim, G. T.; Duesberg, G. S.; Hallam, T.; Boland, J. J.; Wang, J. J.; Donegan, J. F.; Grunlan, J. C.; Moriarty, G.; Shmeliov, A.; Nicholls, R. J.; Perkins, J. M.; Grieveson, E. M.; Theuwissen, K.; McComb, D. W.; Nellist, P. D.; Nicolosi, V. Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials. Science 2011, 331 (6017), 568-571, DOI: 10.1126/science.1194975. (45) Chandrasekar, M.; Suresh, S.; Senthilkumar, T. Mechanisms Proposed Through Experimental Investigations on Thermophysical Properties and Forced Convective Heat Transfer Characteristics of Various Nanofluids - A Review. Renewable Sustainable Energy Rev. 2012, 16 (6), 3917-3938, DOI: 10.1016/j.rser.2012.03.013. (46) Pastoriza-Gallego, M. J.; Casanova, C.; Páramo, R.; Barbés, B.; Legido, J. L.; Piñeiro, M. M. A Study on Stability and Thermophysical Properties (Density and Viscosity) of Al2O3 in Water Nanofluid. J. Appl. Phys. 2009, 106 (6), 064301, DOI: 10.1063/1.3187732. (47) Eagleson, M. Concise Encyclopedia Chemistry, Walter de Gruyter: 1994; p 1201. (48) Estelle, P.; Cabaleiro, D.; Zyla, G.; Lugo, L.; Murshed, S. M. S. Current Trends in Surface Tension and Wetting Behavior of Nanofluids. Renewable Sustainable Energy Rev 2018, 94, 931-944, DOI: 10.1016/j.rser.2018.07.006. (49) Akyurek, E. F.; Gelis, K.; Sahin, B.; Manay, E. Experimental Analysis for Heat Transfer of Nanofluid With Wire Coil Turbulators in a Concentric Tube Heat Exchanger. Results Phys. 2018, 9, 376-389, DOI: 10.1016/j.rinp.2018.02.067. (50) Fang, X. D.; Xu, Y.; Zhou, Z. R. New Correlations of Single-Phase Friction Factor for Turbulent Pipe Flow and Evaluation of Existing Single-Phase Friction Factor Correlations. Nucl. Eng. Des. 2011, 241 (3), 897-902, DOI: 10.1016/j.nucengdes.2010.12.019. (51) Naumkin, A. K.-V. A. V. G., S. W.; C. J. Powell. in NIST Standard Reference Database 20, Version 4.1, Gaithersburg 2012. (52) Chen, W. S.; Yu, X.; Zhao, Z. X.; Ji, S. C.; Feng, L. G. Hierarchical Architecture of Coupling Graphene and 2D WS2 for High-Performance Supercapacitor. Electrochim. Acta 2019, 298, 313-320, DOI: 10.1016/j.electacta.2018.12.096. (53) Hu, K.; Zhou, J. H.; Yi, Z. X.; Ye, C. L.; Dong, H. Y.; Yan, K. Facile Synthesis of Mesoporous WS2 for Water Oxidation. Appl. Surf. Sci. 2019, 465, 351-356, DOI: 10.1016/j.apsusc.2018.09.179.

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Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights

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