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The cubic-plus-association (CPA) equation of state (EoS) is applied, using different combining
rules, to vapor−liquid equilibria (VLE) and liquid−liquid equilibria (LLE) of alcohol−water
systems. It is demonstrated that the Elliott combining rule (ECR) with a common temperature-independent interaction parameter provides very adequate VLE correlations over extended
temperature and pressure ranges, yielding also a very satisfactory description of the azeotropic
behavior. LLE of heavy alcohol−water systems is best described with the CR-1 combining rule
and a single interaction parameter. Satisfactory predictions of multicomponent, multiphase
equilibria of water−alcohol−alkane systems at various conditions are achieved using solely one
interaction parameter per binary. A study of the dominant binary systems for the prediction of
the multicomponent systems demonstrates that both the binary alcohol−water and alcohol−hydrocarbon systems are crucial for the prediction of the partition coefficients of alcohols. Finally,
the CPA EoS combined with a model for the solid-complex formation can successfully describe
solid−liquid equilibria of glycol/methanol−water systems including the description of the solid-complex phase, which is known to exist at intermediate concentrations.
Partial pressures of carbon dioxide (CO 2 ) over aqueous solutions of monoethanolamine (MEA), diethanolamine (DEA), and N-methyldiethanolamine (MDEA) have been correlated using a simple approach where only one chemical equilibrium reaction is taken into account and assuming ideal gas and ideal liquid properties. The approach combines the Henry's law constant and the chemical reaction equilibrium constant for the formation of carbamate for primary and secondary alkanolamines (MEA, DEA) or bicarbonate for tertiary alkanolamines(MDEA), resulting in an explicit expression for calculating the partial pressure of CO 2 over an aqueous alkanolamine solution. Accurate values for the partial pressure of CO 2 are obtained for a limited loading, temperature, and pressure range that is useful in modeling CO 2 capture from coalfired power plants. Heat of absorption values derived from the model agree with experimental data from the literature.
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