Phase Behavior and Percolation of a Primitive Model of Laponite Suspension: Wertheim’s Thermodynamic Perturbation Theory with Anisotropic Reference Particles

The computation of the properties of associative fluids within Wertheim’s multidensity thermodynamic perturbation theory becomes particularly challenging when the reference system is composed of strongly anisotropic, nonspherical particles. We develop a simple and efficient framework that combines thermodynamic perturbation theory with the interaction site model formalism of Chandler and Andersen. The method enables an accurate treatment of associating fluids with anisotropic reference particles and is illustrated through calculations of the phase behavior and percolation properties of the primitive model of Laponite suspensions.

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Journal
ACS Omega
Published
2026-03-22
DOI
https://doi.org/10.1021/acsomega.5c12221
Primary Topic
Material Dynamics and Properties
Type
article
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article

Phase Behavior and Percolation of a Primitive Model of Laponite Suspension: Wertheim’s Thermodynamic Perturbation Theory with Anisotropic Reference Particles

Yu. V. Kalyuzhnyi
ACS Omega
Material Dynamics and Properties
article

Phase Behavior and Percolation of a Primitive Model of Laponite Suspension: Wertheim’s Thermodynamic Perturbation Theory with Anisotropic Reference Particles

Yu. V. Kalyuzhnyi
article en

Abstract

The computation of the properties of associative fluids within Wertheim’s multidensity thermodynamic perturbation theory becomes particularly challenging when the reference system is composed of strongly anisotropic, nonspherical particles. We develop a simple and efficient framework that combines thermodynamic perturbation theory with the interaction site model formalism of Chandler and Andersen. The method enables an accurate treatment of associating fluids with anisotropic reference particles and is illustrated through calculations of the phase behavior and percolation properties of the primitive model of Laponite suspensions.

ACS Omega
University of Ljubljana (SI), Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine (UA)
Openalex Percentile: Top 13%
Material Dynamics and Properties
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Phase Behavior and Percolation of a Primitive Model of Laponite Suspension: Wertheim’s Thermodynamic Perturbation Theory with Anisotropic Reference Particles — Yu. V. Kalyuzhnyi · ACS Omega (2026) | TGRS Research Map | TGRS