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PreprintCC BYChemRxiv

Dual-Channel Solvation Forces at Polymer-Brush Interfaces

  • Meng Deng
  • Zhaochuan Fan
Open at sourceDOICite

Abstract

Integrating statistical-mechanical pole theory with molecular dynamics simulations, we extend asymptotic correlation theory to polymer-brush-grafted soft interfaces, achieving quantitative, parameter-free predictions of oscillatory solvation free energies. We uncover a dual-channel physical mechanism governing inter-surface forces: interactions across disordered brushes are governed entirely by bulk-liquid correlations (the oscillatory channel), whereas dense, crystalline brushes induce capillary freezing of the confined solvent, opening a monotonic attraction channel of interfacial phase-transition origin.

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Cite

BibTeXRIS
BibTeX
@misc{deng2026dualchannel,
  title = {{Dual-Channel Solvation Forces at Polymer-Brush Interfaces}},
  author = {Meng Deng and Zhaochuan Fan},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011061/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011061/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Dual-Channel Solvation Forces at Polymer-Brush Interfaces
AU  - Meng Deng
AU  - Zhaochuan Fan
PY  - 2026
DA  - 2026/10/26
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011061/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011061/v1
AB  - Integrating statistical-mechanical pole theory with molecular dynamics simulations, we extend asymptotic correlation theory to polymer-brush-grafted soft interfaces, achieving quantitative, parameter-free predictions of oscillatory solvation free energies. We uncover a dual-channel physical mechanism governing inter-surface forces: interactions across disordered brushes are governed entirely by bulk-liquid correlations (the oscillatory channel), whereas dense, crystalline brushes induce capillary freezing of the confined solvent, opening a monotonic attraction channel of interfacial phase-transition origin.
ER  -