The DISQUAC group contribution model for correlating and predicting the thermodynamic properties of liquid mixture (phase diagrams and related excess functions, Gibbs energy and enthalpy) is reviewed. Examples are given of its application to recently investigated mixtures, including linear or cyclic molecules, mono-or poly-functional compounds. A fairly good description of the thermodynamic properties of mixing is obtained when the model is used with group-structuredependent interaction parameters. These relationships are also of practical importance, since they allow the evaluation of experimental data and estimation of interaction parameters for certain molecules, e.g. in the presence of proximity effects, whereas other methods need additional measurements.
The DISQUAC model
PORCEDDA, SILVIA;PIRAS, ALESSANDRA;
2011-01-01
Abstract
The DISQUAC group contribution model for correlating and predicting the thermodynamic properties of liquid mixture (phase diagrams and related excess functions, Gibbs energy and enthalpy) is reviewed. Examples are given of its application to recently investigated mixtures, including linear or cyclic molecules, mono-or poly-functional compounds. A fairly good description of the thermodynamic properties of mixing is obtained when the model is used with group-structuredependent interaction parameters. These relationships are also of practical importance, since they allow the evaluation of experimental data and estimation of interaction parameters for certain molecules, e.g. in the presence of proximity effects, whereas other methods need additional measurements.
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