Statistical-mechanical model for dipolar chain formation
Dipolar fluids are known to exhibit complex self-assembly at low temperatures, yet a compact thermodynamic description of their aggregate statistics has remained elusive. Using molecular dynamics simulations of Stockmayer particles with a purely repulsive WCA core, we confirm that over broad regions of the ($ρ$, $T$) phase space the chain-size distribution follows an exponential decay with characteristic size $s_0$. Within this regime, we find that $s_0$ can be accurately described by an effective free energy $ϕ$ that incorporates translational entropy, bonding energy, and a crowding penalty. Identifying deviations from this ideal scaling provides a further division of the phase space into four regions. Therefore, our results locate a regime of relatively simple chain statistics and offer an alternative regime-based perspective on dipolar self-assembly.
Authors
- Jesús Pérez-Ríos (ORCID: https://orcid.org/0000-0002-8947-6042)
- Zhongqi Liang
Publication Details
- Journal
- Physical review. E
- Published
- 2026-10-28
- DOI
- https://doi.org/10.1103/n5ly-yvhc
- Primary Topic
- Advanced Physical and Chemical Molecular Interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00