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To extend the application of the COSMO‐SAC model to phase‐equilibrium calculations of polymer solutions, a new strategy for estimating the charge‐density profile, the cavity volume and the cavity surface area of polymer molecules is proposed by finding reasonable parameters for the corresponding repeating structure units. The molecular parameters for polymers are obtained by summing up the corresponding...
In previous work, we have developed a close-packed lattice model for binary solutions of chain-like molecules. As a continuation, considering the effect of volume change, we present here a new molecular-thermodynamic model based on lattice fluid theory. The resulting equation of state shows good performance in describing thermodynamic properties such as pVT behavior, vapor pressure and liquid volume...
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