English

Compressing $\Theta$-chain in slit geometry

Soft Condensed Matter 2022-02-28 v1 Biological Physics

Abstract

When compressed in a slit of width DD, a Θ\Theta-chain that displays the scaling of size R0R_0 (diameter) with respect to the number of monomers NN, R0aN1/2R_0\sim aN^{1/2}, expands in the lateral direction as RaNν(a/D)2ν1R_{\parallel}\sim a N^{\nu}(a/D)^{2\nu-1}. Provided that the Θ\Theta condition is strictly maintained throughout the compression, the well-known scaling exponent of Θ\Theta-chain in 2 dimensions, ν=4/7\nu=4/7, is anticipated in a perfect confinement. However, numerics shows that upon increasing compression from R0/D<1R_0/D<1 to R0/D1R_0/D\gg 1, ν\nu gradually deviates from ν=1/2\nu=1/2 and plateaus at ν=3/4\nu=3/4, the exponent associated with the self-avoiding walk in two dimensions. Using both theoretical considerations and numerics, we argue that it is highly nontrivial to maintain the Θ\Theta condition under confinement because of two major effects. First, as the dimension is reduced from 3 to 2 dimensions, the contributions of higher order virial terms, which can be ignored in 3 dimensions at large NN, become significant. Second and more importantly, the geometrical confinement, which is regarded as an applied external field, alters the second virial coefficient (B2B_2) changes from B2=0B_2=0 (Θ\Theta condition) in free space to B2>0B_2>0 (good-solvent condition) in confinement. Our study provides practical insight into how confinement affects the conformation of a single polymer chain.

Cite

@article{arxiv.1905.13473,
  title  = {Compressing $\Theta$-chain in slit geometry},
  author = {Lei Liu and Philip A. Pincus and Changbong Hyeon},
  journal= {arXiv preprint arXiv:1905.13473},
  year   = {2022}
}

Comments

31 pages, 4 figures

R2 v1 2026-06-23T09:34:44.983Z