Solution of the associative MSA for the patchy colloidal model with dipole-dipole interaction

  • Yurij V. Kalyuzhnyi*
  • , T. Patsahan
  • , Myroslav Holovko
  • , P. T. Cummings
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

An analytical solution of the associative mean spherical approximation (AMSA) for the hard-sphere multi-patch colloidal model with dipole–dipole interaction is derived. The solution is obtained using the Baxter factorization method following the scheme developed by Blum and co-workers to treat nonspherical interactions. This solution is used to build two more approximations: the exponential approximation (EXPA) and the reference AMSA. To access the accuracy of the theoretical predictions we have generated a set of exact computer simulation data for the water-like model with four tetrahedrally arranged patches and compare them against the corresponding theoretical results for the structure, excess internal energy and dielectric constant. Predictions of the reference AMSA are in a good agreement with Monte Carlo predictions. EXPA and AMSA appear to be less accurate with the accuracy of the AMSA similar to that of the regular MSA for the hard-sphere dipolar fluid. Possible extensions of the theory are briefly outlined.

Original languageEnglish
Article number116956
JournalJournal of Molecular Liquids
Volume342
Early online date20 Jul 2021
DOIs
Publication statusPublished - 15 Nov 2021

Keywords

  • Associative fluids
  • Computer simulation
  • Dielectric constant
  • Dipolar hard spheres
  • Mean spherical approximation
  • Orientationally invariant expansions
  • Patchy colloids

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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