Abstract
The thermal conductivity of the molten CaO–Al2O3–SiO2 (CAS) system was calculated by using equilibrium molecular dynamics (EMD) simulation. Most of the thermal conductivities determined by the EMD simulation are in good agreement with the values by the experimental method, of which the Pearson coefficient and mean standard deviations are 0.57 and 0.228, respectively. After removing the controversial samples, the Pearson coefficient and mean standard deviations were improved to 0.85 and 0.08, respectively. Further structure analysis showed that the thermal conductivity of the CAS melt depends on not only the percentage of the bridge oxides but also the function of Ca2+, which prompted the increase of the thermal conductivity of CAS slags. The combination of the Al2O3 and SiO2 structures may increase the thermal conductivity of CAS melt. In summary, EMD simulation can be widely applied to estimate the thermal conductivity of the silicate melt as well as the mechanism research.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
