SAFT Associating Fluids and Fluid Mixtures

Imperial College London, London, SW7 2AZ, United Kingdom 

Edited by A. R. H. Goodwin, J. V. Sengers and C. J. Peters International Union of Pure and Applied Chemistry 2010 Published by the Royal Society of Chemistry, www.rsc.org 

In this chapter we provide some background on the development of Wer-theim s theory of association and then review the main versions of the SAFT equation of state used in the current literature. Rather than focus on the systems that have been studied using the different versions, which was recently reviewed by Tan and co-authors, we have striven to provide a survey of the latest theoretical developments directed at enhancing the capability of the SAFT framework for the study of increasingly complex fluids. 

2 Statistical Mechanical Theories of Association and Wertheim s Theory 

When eq 8.3 is substituted into the cluster expansion for the distribution functions in the fluid, and simplified through cancellations in graphs by taking into account eq 8.2, the result is a formal graphical expansion for the pair distribution function in terms of renormalized hydrogen-bond /-functions. This concept of saturation at the dimer level is a key element in Wertheim s theory, discussed below. 

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SAFT Associating Fluids and Fluid Mixtures energy per monomer in this case is described by. 

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