Molecular Modeling on Solar Radiation Absorbing Glass of Vehicles.

Abstract

Solar radiation absorbing material (RAM) has attracted significant attention from the scientific community during the last several decades. Glass is considered among the most important RAM. In automobiles, the vehicular glass is transparent to non-visible solar radiation which results in an increase in the internal temperature of the vehicle cabin especially on sunny days during summer. Therefore, there is a need to modify regular multinuclear silicate glass with absorptive properties of non-visible solar radiation along with no compromise on the transparency rate to the solar visible radiation. This research was done to develop a new pipeline/methodology for complete molecular modeling of solar radiation absorbing glass. Two software packages namely ADF_2019.304 and Ansys® Fluent are used in this research. The ADF is used for detailed molecular dynamic (MD) and quantum mechanical density functional theoretical (DFT) studies on five multinuclear silicate glass modeling by melt and quench approach and then atomic/molecular level investigation. The various chemical and thermodynamic properties of all five glass (SiO2, Na2OSiO2, CaOSiO2, Al2O3SiO2, and CaOAl2O3SiO2) are then transferred to Ansys® Fluent for temperature and solar radiations (absorption and emission) calculations. The obtained results have shown that this method is significant and will be enhanced for a lot of

components/composites for future studies. The analysis of results predicts that calcium-alumino- silicate and alumino-silicate glass do not show an increase in mean static temperature on the

absorption of solar radiations and the radiation absorption-emission difference is significantly high to validate our findings.