Wertheim's association theory applied to one site patchy colloids: Beyond the single bonding condition
Author(s) -
Bennett D. Marshall,
Deepti Ballal,
Walter G. Chapman
Publication year - 2012
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4751480
Subject(s) - statistical physics , monte carlo method , colloid , series (stratigraphy) , density functional theory , ring (chemistry) , physics , mathematics , quantum mechanics , chemistry , geology , statistics , paleontology , organic chemistry
We apply Wertheim's theory to develop an equation of state for one site patchy colloids where the patch can bond multiple times. We allow for the possibility of ring formation without the introduction of empirical parameters and show that for moderate patch coverage the infinite series of chain graphs is well represented by the first two terms. The theory is found to be in excellent agreement with new NVT and NPT Monte Carlo simulations. The approach described here can easily be converted to the form of a density functional theory to describe inhomogeneous patchy colloid systems
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