Tracking interchain interactions in copolymers.

The research project is the continuation of the collaboration between the Christopher Rowley group at Carleton University in Canada and the Mateusz Brela group at Jagiellonian University in Poland. This research project tackles the continuous need for an accurate description of the chemical structure’s role in the physicochemical properties of the final material. As the copolymers are widely studied due to the ability to combine the properties of their constituents, it is essential to provide additional insight into the structure-property relationship of two analogously built copolymers. It is the first time that multiscale QM/MM simulations will be used to address the thorough description of the morphology and interchain interactions of copolymers. Developing a unique computational protocol for the comprehensive description of non-covalent interchain interactions will enable its application to verify newly designed copolymer materials. Providing the scientific community with the necessary structure-property relations will result in the improved accuracy of physicochemical properties prediction, promoting the application of the newly designed materials in the industry.

Faculty Supervisor:

Christopher Rowley

Student:

Partner:

Jagiellonian University in Krakow

Discipline:

Life Sciences

Sector:

Education

University:

Carleton University

Program: