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Theory: thermodynamic properties

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pyOZ currently supports the evaluation of following thermodynamic properties:

Moreover, it evaluates also the so-called Kirkwood-Buff integrals (factors), which can be used for many purposes in statistical mechanics and liquid state theory. These integrals G_{ij} are defined as integrals over the structure

\displaystyle G_{ij} = \int_0^\infty (g_{ij}(r)-1) 4 \pi r^2 dr

pyOZ calculates these integrals for all unique component combinations.

previous (Ng-renormalization)
theory index
next (thermodynamic properties – osmotic coefficient)