A Variational Approach to Trap Macromolecules
Abstract
Trapping macromolecules is impoartant for the study of their conformations, interactions, dynamics and kinetic processes. Here, we develop a variational approach which self-consistently introduces a mean force that controls the center-of-mass position and a self-adjustable harmonic potential that counters the center-of-mass fluctuation. The effectiveness and versatility of our approach is verified in three classical yet not fully understood problems in polymer physics: (1) single-chain conformation in the entire solvent regimes, (2) globule-pearl necklace-coil transition of a polyelectrolyte and (3) inter-chain interaction by simultaneously trapping two polymers. The scaling relationships and behaviors are well captured. Conformations with large shape anisotropy appearing in charged polymers are clearly depicted. Our theoretical predictions are in quantitative agreement with experimental results reported in the literature.
Cite
@article{arxiv.2404.13574,
title = {A Variational Approach to Trap Macromolecules},
author = {Luofu Liu and Chao Duan and Rui Wang},
journal= {arXiv preprint arXiv:2404.13574},
year = {2024}
}