Simulations are employed to establish the feasibility of achieving controlled/living ethene polymerizations. Such simulations indicate that reversible addition–fragmentation chain transfer (RAFT) agents carrying a fluorine Z group may be suitable to establish control in high-pressure high-temperature ethene polymerizations. Based on these simulations, specific fluorine (F-RAFT) agents have been designed and tested. The initial results are promising and indicate that it may indeed be possible to achieve molecular weight distributions with a polydispersity being significantly lower than that observed in the conventional free radical process. In our initial trials presented here (using the F-RAFT agent isopropylfluorodithioformate), a correlation between the degree of polymerization and conversion can indeed be observed. Both the lowered polydispersity and the linear correlation between molecular weight and conversion indicate that control may in principle be possible.
Nonlocal Coulomb correlations in pure and electron-doped
Sr2IrO4
: Spectral functions, Fermi surface, and pseudo-gap-like spectral weight distributions from oriented cluster dynamical mean-field theory
