A general framework for modelling association

A general framework for modelling association

A general formulation of association theory is presented which, unlike Wertheim's association theory as proposed in the Statistical Associating Fluid Theory, allows association strengths to vary with different sizes of oligomer. It is shown that association theory is governed by a few simple re...

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Veröffentlicht in:Fluid phase equilibria 2020-06, Vol.513, p.112544, Article 112544
1. Verfasser: Moorwood, Tony
Format: Artikel
Sprache:eng
Schlagworte:
Cyclic oligomers
Equation of state
General association theory
Hydrogen bond
Polar fluids
Wertheim
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Zusammenfassung:A general formulation of association theory is presented which, unlike Wertheim's association theory as proposed in the Statistical Associating Fluid Theory, allows association strengths to vary with different sizes of oligomer. It is shown that association theory is governed by a few simple relationships which apply in all cases. The formulation is compatible with any equation of state. Potential applications are suggested.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2020.112544