Development of high activity cobalt-free driers using theoretical studies of the polymerization of alkyd resins catalyzed by metal complexes

 
Alternatives to cobalt carboxylates, used as driers for alkyd paints, are strongly desired due to concerns of cobalt toxicity. Although manganese driers with various ligands are available as alternative products, only a few driers have been recognized to have better performance than cobalt driers. To address this issue, the latest molecular simulation software was used to understand the mechanism between the drier and the resin. Having a better understanding of the mechanism of this catalytic reaction could then contribute to the design of driers. In this study, the Gibbs free energy profile of possible reaction pathways was examined with various driers and compared to the activation barriers of the reactions catalyzed by metal complexes. As a result, novel guidelines for designing more efficient driers were obtained, and the drier's performance was verified. Lastly, strategies and catalytic performance on new manganese driers will be reported.