Picture of virus under microscope

Research under the microscope...

The Strathprints institutional repository is a digital archive of University of Strathclyde research outputs.

Strathprints serves world leading Open Access research by the University of Strathclyde, including research by the Strathclyde Institute of Pharmacy and Biomedical Sciences (SIPBS), where research centres such as the Industrial Biotechnology Innovation Centre (IBioIC), the Cancer Research UK Formulation Unit, SeaBioTech and the Centre for Biophotonics are based.

Explore SIPBS research

Analysis of free energy functional density expansion theories

Sweatman, M.B. (2000) Analysis of free energy functional density expansion theories. Molecular Physics, 98 (9). pp. 573-581. ISSN 0026-8976

Full text not available in this repository. (Request a copy from the Strathclyde author)

Abstract

Density expansion theories are often used, within the density functional formalism, to approximate the Helmholtz free-energy functional of simple classical fluids. An overview of the theoretical framework of density expansion theories is presented. Several density functional theories that employ truncated density expansions are then analysed with attention focused on their thermodynamic properties. It is found that, of these theories, only the commonly used mean-field theory satisfies the Gibbs adsorption equation; the inconsistencies within the other theories arise from truncation of the density expansion without appropriate modification of the expansion coefficients. Other repercussions of truncating the density expansion are discussed.