Accurate Prediction of Thermodynamic Properties of Alcoholes Ketones and Ethers by MCORGC Eos

This paper presents the ability of a new group contribution equation of state in the prediction of thermodynamic properties of alcohols, ketones and ethers. This equation of state, called MCORGC, is based on the Chain-Of-Rotators Group Contribution equation considering a NRTL type local composition mixing rule. The group parameters required to predict the thermodynamic properties of the oxygenated compounds are reported. In order to test the accuracy of the new proposed equation of state, saturated thermodynamic properties of several alcoholes, ketones and ethers are predicted over a wide range of pressures and temperatures and compared with the values reported in the literature. In addition, the capabilities of MCORGC have been compared with other equations of state.

Keywords:

theory , Equation of state , Group Contribution , Polar , Nonpolar , Alcholes , Ketones , Ethers