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On the Importance of Thermodynamic Self-Consistency for Calculating Stable Clusters in Hard-Core Double Yukawa Fluids

Published

Author(s)

Jung Min Kim, Ramon Castaneda-Priego, Yun Liu, Norman J. Wagner

Abstract

Understanding clustering of complex fluids is of interest in material science because the formation of aggregates in the suspension leads to changes in the material properties. Recently, using a mixed closure relation and a thermodynamic self-consistency criterion, Bomont et al. have shown the temperature dependence, at a fixed density, of the cluster formation in systems with short-range attractions and long-range repulsions which are modeled with the hard-core double Yukawa potential.1 In this communication, we provide evidence that the cluster formation is a common behavior in systems with competitive interactions. In particular, we demonstrate that, based on the same thermodynamic self-consistency criterion, equally accurate structural information is obtained irrespective of the chosen mixed closure relation. Additionally, we explore the dependence of the clustering on the density and potential parameters. Our findings are corroborated with Monte Carlo computer simulations.
Citation
Journal of Chemical Physics
Volume
134

Keywords

structure factor, Yukawa, cluster

Citation

Kim, J. , Castaneda-Priego, R. , Liu, Y. and Wagner, N. (2011), On the Importance of Thermodynamic Self-Consistency for Calculating Stable Clusters in Hard-Core Double Yukawa Fluids, Journal of Chemical Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=906806 (Accessed April 22, 2024)
Created February 13, 2011, Updated October 12, 2021