Developing structure and thermodynamic properties-consistent coarse-grained model for random copolymer systems
Sign Up to like & getrecommendations! Published in 2017 at "Polymer"
DOI: 10.1016/j.polymer.2017.07.016
Abstract: Abstract Molecular characterizing of random copolymer systems at large timescales is significantly important in prediction and advancing understanding of materials properties and phenomena. In this paper, we present a hybrid structure and thermodynamic properties-consistent method… read more here.
Keywords: thermodynamic properties; random copolymer; structure thermodynamic; coarse grained ... See more keywords
Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00945
Abstract: The statistical trajectory matching (STM) method was applied successfully to derive coarse grain (CG) models for bulk properties of homopolymers. The extension of the methodology for building CG models for statistical copolymer systems is much… read more here.
Keywords: statistical copolymer; copolymer systems; methodology; consistent transferable ... See more keywords