A new cluster series, called the interaction site cluster expansion, is derived for classical
molecular fluids. For a general class of molecular models, the series provides an exact …

Statistical associating fluid theory (SAFT) is a powerful model for thermodynamic property
and phase equilibrium calculations for fluid mixtures. In this paper, the model development …

Association theories such as the CPA (cubic-plus-association), NRHB (non-random
hydrogen bonding) equations of state and the various variants of SAFT (statistical …

The phase equilibria of water+ n-butan-1-ol is characterized by the presence of so-called
closed-loop curves which represent regions of liquid-liquid immiscibility in the phase …

A new group contribution method is proposed using the statistical associating fluid theory
(SAFT) equation of state (EOS), in order to describe the thermodynamic properties of …

We present a density functional theory (DFT) based on the statistical associating fluid theory
(SAFT) bulk free energy to describe the behaviour of inhomogeneous associating molecular …

Water is a fascinating compound, essential to our life and present in most of the biological
and industrial systems. In spite of its importance, the particular features of water and the …

A simplified statistical associating fluid theory (SAFT) equation of state is developed for
associating and nonassociating compounds. The new equation of state has the same …

We show that the often used site-site direct correlation function cannot be defined in terms of
a sum over a subset of the diagrams in the interaction site cluster series for the equilibrium …

An equation-of-state model has been developed for predicting phase equilibria, based on
the Statistical Associating Fluid Theory (SAFT). The agreement with molecular simulation …