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The Thermodynamic Perturbation Theory (TPT) developed by Michael S. Wertheim in the years 1984–1986 provides a powerful framework for modeling directional attractive interactions. TPT is successful, for example, in describing fluids with hydrogen-bonding interactions and it leads to accurate models of non-spherical chain fluids. The theory of Wertheim is elegant in many ways, but his original work...
We derive two new equations of state for linear, flexible hard-chain fluids based on Wertheim's Thermodynamic Perturbation Theory (TPT) of third order. The 4-particle distribution function in the third-order term is first approximated solely by 2- and 3-particle distribution functions and is then refined by adjusting an expression to results of molecular simulations. The prediction of the compressibility...
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