Abstract

AbstractSummary: The dimensional and structural properties of polymers confined into a cavity are computed by the Monte Carlo method as a function of the chain stiffness. The reduction of the size ratio <R2 > / < R> close to 2, distinctive of compact spheres, is observed at squeezing of chains into a capsule. The plots of the static structure factor S(q) computed for stiff chains show characteristic humps attributed to the toroidal structure. The orientation correlation function is found to be a very sensitive indicator of the globule – toroid transition in encapsulated chains. Evidence is presented that the toroidal morphology is formed in stiff polymers when the capsule radius approaches the chain persistence length (D ∼ P).

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