Forward Flux Sampling of Polymer Desorption Paths from a Solid Surface into Dilute Solution.

ABSTRACT: We compute desorption rates for isolated polymers adsorbed to a solid wall with a rare event sampling technique called multilevel splitting, also known as forward flux sampling. We interpret computed rates with theories based on the conjecture that the product tdesDRg2 of the desorption time tdes and diffusivity D divided by squared radius of gyration Rg scales with exp(h/Rg) where h is the equilibrium ratio of adsorbed surface concentration of polymer Γ to bulk concentration of polymer c. As the polymer-wall interaction energy is increased, the slope of lntdesDRg2 vs. NVMFkBT nearly approaches unity, as expected for strongly-adsorbing chains, where N is the degree of polymerization and VMF is the height-averaged monomer-wall interaction energy for a strongly adsorbed chain. However, we al

SUBMITTER: Huston KJ 

PROVIDER: S-EPMC7601496 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature