Microscopic density functional theory for dendrimers

Alexandr Malijevský
Phys. Rev. E 80, 042801 – Published 27 October 2009

Abstract

Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory, which accounts for the hard-sphere repulsion of the segments and on the Wertheim first-order perturbation theory for the correlations due to connectivity. Set of the recurrence formulas for the ideal chain contribution involving simple integrals is derived. By using perturbation theory dispersion forces can be easily included.

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  • Received 12 April 2009

DOI:https://doi.org/10.1103/PhysRevE.80.042801

©2009 American Physical Society

Authors & Affiliations

Alexandr Malijevský*

  • Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom and E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, ASCR, 165 02 Prague 6, Czech Republic

  • *a.malijevsky@imperial.ac.uk

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Issue

Vol. 80, Iss. 4 — October 2009

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