@inbook{ce64d1ca8b0446309f74daf5fc48986c,
title = "Phase Equilibria",
abstract = "Selecting the suitable thermodynamic model and supplying the adequate parameters is a key step in solving a simulation-aided design problem. This chapter reviews the fundamentals of phase equilibria in process simulation. Besides the methods based on equations of state and liquid activity models, new efficient tools based on molecular simulation and quantum mechanics are presented. Special attention is paid to the regression of model parameters from experimental data. A guide for selecting a suitable thermodynamic method ends up the chapter.",
keywords = "Activity models, Equations of state, Experimental data, Model parameters, Non-ideality, Phase equilibrium, Thermodynamic methods, Thermodynamics",
author = "Dimian, {Alexandre C.} and Bildea, {Costin S.} and Kiss, {Anton A.}",
year = "2014",
month = jan,
day = "1",
doi = "10.1016/B978-0-444-62700-1.00006-1",
language = "English",
series = "Computer Aided Chemical Engineering",
publisher = "Elsevier B.V.",
pages = "201--251",
booktitle = "Computer Aided Chemical Engineering",
}