{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,25]],"date-time":"2026-03-25T21:17:06Z","timestamp":1774473426075,"version":"3.50.1"},"reference-count":36,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2025,2,16]],"date-time":"2025-02-16T00:00:00Z","timestamp":1739664000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["2024JJ8026"],"award-info":[{"award-number":["2024JJ8026"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004735","name":"Hunan Provincial Natural Science Foundation","doi-asserted-by":"publisher","award":["BZ2022016"],"award-info":[{"award-number":["BZ2022016"]}],"id":[{"id":"10.13039\/501100004735","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Belt and Road Project in Jiangsu Province","award":["2024JJ8026"],"award-info":[{"award-number":["2024JJ8026"]}]},{"name":"Belt and Road Project in Jiangsu Province","award":["BZ2022016"],"award-info":[{"award-number":["BZ2022016"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>This study explores the thermodynamic and kinetic properties of CeO2 nano-fuels, with a particular focus on the influence of nanoparticle additives on the diffusion and thermal conductivity of C14-based fuel systems. Using molecular dynamics simulations and the COMPASS force field, we model the interactions between C14 molecules and CeO2 nanoparticles, varying nanoparticle size and concentration. Our results reveal that the inclusion of CeO2 nanoparticles leads to significant enhancements in both thermal conductivity (increasing by 9.8\u201323.6%) and diffusion coefficients (increasing by approximately 140%) within the 20 \u00b0C to 100 \u00b0C temperature range. These improvements are attributed to the interactions between nanoparticles and fuel molecules, which facilitate more efficient energy and mass transport. Notably, nanoparticles with smaller sizes (0.2 nm and 0.5 nm) exhibit more pronounced effects on both the thermodynamic and kinetic properties than larger nanoparticle analogs (20 nm and 50 nm). The study also highlights the temperature-dependent nature of these properties, demonstrating that nanoparticle additives enhance the fuel\u2019s thermal stability and diffusion behavior, particularly at elevated temperatures. This work provides valuable insights into the optimization of nano-fuel systems, with potential applications in enhancing the performance and efficiency of diesel combustion and heat transfer processes.<\/jats:p>","DOI":"10.3390\/sym17020296","type":"journal-article","created":{"date-parts":[[2025,2,17]],"date-time":"2025-02-17T07:48:22Z","timestamp":1739778502000},"page":"296","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Molecular Dynamics Simulations of CeO2 Nano-Fuel: Thermodynamic and Kinetic Properties"],"prefix":"10.3390","volume":"17","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-7040-2590","authenticated-orcid":false,"given":"Rui","family":"Zhang","sequence":"first","affiliation":[{"name":"School of Engineering Science, Shandong Xiehe University, Jinan 250107, China"},{"name":"School of Aeronautics and Astronautics, Central South University, Changsha 410073, China"}]},{"ORCID":"https:\/\/orcid.org\/0009-0003-7557-077X","authenticated-orcid":false,"given":"Jianbo","family":"Zhou","sequence":"additional","affiliation":[{"name":"School of Aeronautical Electromechanical Equipment Maintenance, Airforce Aviation Repair Institute of Technology, Changsha 410073, China"}]},{"given":"Yingjie","family":"Zhao","sequence":"additional","affiliation":[{"name":"School of Engineering Science, Shandong Xiehe University, Jinan 250107, China"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4714-7435","authenticated-orcid":false,"given":"Zhen","family":"He","sequence":"additional","affiliation":[{"name":"School of Engineering Science, Shandong Xiehe University, Jinan 250107, China"}]},{"given":"Wenxiong","family":"Xi","sequence":"additional","affiliation":[{"name":"School of Aeronautics and Astronautics, Central South University, Changsha 410073, China"}]},{"given":"Weidong","family":"Zhao","sequence":"additional","affiliation":[{"name":"School of Automotive and Traffic Engineering, Jiangsu University, Zhenjiang 212013, China"}]}],"member":"1968","published-online":{"date-parts":[[2025,2,16]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"116861","DOI":"10.1016\/j.energy.2019.116861","article-title":"Experimental assessment of performance, combustion and emissions of a compression ignition engine fueled with Spirulina platensis biodiesel","volume":"193","author":"Nautiyal","year":"2020","journal-title":"Energy"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"461","DOI":"10.1016\/j.enconman.2018.06.004","article-title":"Combustion characteristics, engine performances and emissions of a diesel engine using nanoparticle-diesel fuel blends with aluminium oxide, carbon nanotubes and silicon oxide","volume":"171","author":"Chen","year":"2018","journal-title":"Energy Convers. 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