Basic oxygen steelmaking (BOS) slag, a product of hot metal element (e.g., Si, Mn, Fe, P) oxidation and flux (e.g. lime, dolomite) dissolution, plays critical role in the production high-quality crude steel, although its behavior inside BOS vessel (formation reaction with droplets gas) is still not clear recycling has always been challenging. Herein, examples BOS-slag-related research conducted...

The retro-ene reaction is a common reaction of metastable immonium ions, leading to the expulsion of an alkene molecule. The kinetic energy release that accompanies this reaction decreases with alkyl substitution on the γ-carbon of the immonium ion. A number of authors have taken this result to indicate that the retro-ene reaction proceeds in a non-concerted manner via a carbocation intermediat...

A density functional theory (DFT) protocol for the calculation of redox potentials of copper complexes is developed based on 13 model copper complexes. The redox potentials are calculated in terms of Gibbs free energy change of the redox reaction at the theory level of CAM-B3LYP/6-31+G(d,p)/SMD, with the overall Gibbs free energy change being partitioned into the Gibbs free energy change of the...