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Project

Role of solvent effects on the propagation kinetics in free radical polymerization reations

Gas phase predictions lead to reaction rate coefficients being 3 orders of magnitude smaller than the experimental values if polymerization takes place in solvent. Implicit and explicit salvations models have to be employed to take into account the solvent effects. The project also investigates the role of monomers and type of solvent molecules on the reaction rate.

Date:1 Jan 2010 →  4 Mar 2013
Keywords:free radical polymerization, implicit and explicit solvation models, DFT
Disciplines:General chemical and biochemical engineering, Process engineering, Transport phenomena, Macromolecular and materials chemistry, Separation and membrane technologies, Other (bio)chemical engineering, Catalysis and reacting systems engineering, Chemical product design and formulation