An association equation of state to predict properties of alcohols and their mixtures

The equations of state have been widely applied in petroleum and chemical industries to evaluation and prediction of thermodynamic properties and phase behavior of pure and multi-component systems. However they often fail in highly polar, hydrogen bonding and associating systems. Association equation of state (AEOS) can be used for the discrepancy due to association concept. AEOS uses the physical and chemical contributions for prediction of thermodynamic phase behavior in associating fluids. In this work a new Peng-Robinson based association equation of state has been developed. The new proposed AEOS has been applied to correlate saturated properties of 17 pure alcohols and also was satisfactorily extended to mixtures containing alcohols and non-associating compounds to predict the phase equilibria of the binary mixtures of alcohol/hydrocarbon, alcohol/CO2. The results of this work are in good agreement with the other works and experimental results.

کلیدواژه ها:

association equation of state ، hydrogen bonding ، chemical theory ، phase equilibrium