Kathy Elst

Enhancing Solubility Predictions of Plastic Additives in Depolymerization Solvents Using Quantum Chemical Conformer Analysis and COSMO-RS

Abstract The success of recycling plastics by means of depolymerization requires the selective purification of regenerated monomers from complex mixtures. This can be assisted by accurate prediction of the phase behavior of large, flexible, and multifunctional additive molecules,...