ABSTRACT
The electric field induces complex effects on the tribological properties of zinc oxide (ZnO) under lubricated conditions, particularly at the nanoscale, where the friction process and mechanism remain unclear. In this paper, the tribological behaviors of ZnO under the lubrication of poly α-olefins (PAO) were investigated by molecular dynamics (MD) simulations with reactive force field (ReaxFF). The results reveal a significant enhancement in the tribological performances of ZnO with the application of the electric field, resulting in a 58.6% reduction in the coefficient of friction (COF) from 0.193 at 0 V/Å to 0.080 at 0.1 V/Å. This improvement can be attributed to the weakening of interfacial interaction, evidenced by a reduction in the number of C-O covalent bonds under the influence of the electric field, along with the formation of an adsorption film due to applied load and shear effects. Notably, the effect of the electric field and applied load extends the impact of interface slip on the tribological performance of ZnO. Overall, this study provides a comprehensive understanding of the impact of the electric field on reducing the friction of ZnO-based structured models, shedding light on explaining their tribological properties and lubrication mechanisms.
ABSTRACT
Numerical simulations have been conducted for a novel double-concentric swirl burner, which is specifically designed for combustion of sulfur with a high power density. The burner serves as a major component of an enclosed conversion cycle, which uses elemental sulfur as a carbon-free chemical energy carrier for storing solar energy. The focus of the work is to assess operability of the burner and NO x formation at fuel-lean conditions with an equivalence ratio of Ï = 0.5, which is crucial regarding flame stabilization and evaporation. To quantitatively evaluate the NO x formation, a new reaction mechanism for sulfur combustion along with S/N/O and NO x reactions has been developed and used for the simulation. In comparison to our previous simulations using a higher Ï, the flame is lifted slightly and the overall flame temperature is lowered in the current case, leading to a weakened evaporation performance. Accordingly, an increased share of sulfur droplets hitting the chamber wall and escaping the domain has been confirmed. The local NO x share has been shown to increase strongly with the flame temperature from a threshold value of approximately 1600 K. In addition, the NO x formation from the burner setup with a high swirl intensity (HSI) has been shown to be 2 times higher than that with a low swirl intensity (LSI). This is attributed to a higher flame temperature and longer residence time caused by a strong inner recirculation flow. However, the HSI setup yields a better evaporation performance and a reinforced flame stabilization. The results reveal a trade-off for operating the sulfur burner with different burner designs and equivalence ratios.
