Optimal plasticisers for new biobased plastics through a combined experimental and molecular simulations approach.
Title: Optimal plasticisers for new biobased plastics through a combined experimental and molecular simulations approach.
SNIC Project: SNIC 2020/5-149
Project Type: SNIC Medium Compute
Principal Investigator: Fritjof Nilsson <fritjofn@kth.se>
Affiliation: Kungliga Tekniska högskolan
Duration: 2020-04-01 – 2021-04-01
Classification: 20403
Homepage: https://www.kth.se/directory/c/cg/cge
Keywords:

Abstract

The purpose of the project is to lay the foundation for a “generic” model of plasticisation of polymers. For this a significantly better understanding of polymer plasticisation mechanisms and their dependence on molecular size, structure and polarity is needed. These are, in turn, linked to the free volume ratio and the molar refracivity of the plasticiser and the polymer. There are currently four theories of plasticisation and these cannot fully describe the plasticisation behaviour of polymers. The methodology here to obtain a single fully generic model will be a combined experimental and simulations approach. With the model, it will be possible to determine how the next generation of “sustainable” plasticisers will look like,having high efficiency, zero migration and low health risks.