March 2013
Intermediate to advanced
406 pages
14h 48m
English
Content preview from Perturbation Theories for the Thermodynamic Properties of Fluids and Solids
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4
Integral Equation
Theories
This chapter summarizes the most widely used closure conditions to solve the
Ornstein–Zernike (OZ) equation. Several procedures proposed to achieve thermo-
dynamic consistency between the different routes for obtaining the thermodynamic
properties are also discussed. Special attention is devoted to integral equation per-
turbation theories. This chapter ends analyzing the results for the thermodynamic
and structural properties obtained from several integral equation theories (IETs) as
compared with simulation data.
4.1 ORNSTEIN–ZERNIKE EQUATION
An important equation relating several correlation functions and which is the
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