Modeling the Phase Equilibria of Associating Polymers in Porous Media with Respect to Chromatographic Applications.

ABSTRACT: Associating copolymers self-assemble during their passage through a liquid chromatography (LC) column, and the elution differs from that of common non-associating polymers. This computational study aims at elucidating the mechanism of their unique and intricate chromatographic behavior. We focused on amphiphilic diblock copolymers in selective solvents, performed the Monte Carlo (MC) simulations of their partitioning between a bulk solvent (mobile phase) and a cylindrical pore (stationary phase), and investigated the concentration dependences of the partition coefficient and of other functions describing the phase behavior. The observed abruptly changing concentration dependences of the effective partition coefficient demonstrate the significant impact of the association of copolymers with

SUBMITTER: Wang X 

PROVIDER: S-EPMC9370872 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature