The chain-of-rotators group contribution equation of state
Abstract
A new group contribution equation of state, the Chain-of-Rotators Group Contribution (CORGC) equation, is developed for application to design of industrial separation processes. Parameters are determined for twenty nonpolar groups appearing in parafins, olefins, naphthenes, aromatics, light gases and their mixtures. Comparisons with experimental data for a wide variety of pure fluids and mixtures are presented for phase equilibrium and other thermodynamic properties. Predictions of vapor pressure and binary ternary vapor-liquid equilibrium for systems not included in the data base are also shown. Good results usually can be obtained with the CORGC equation for pure fluids or mixtures with components containing twenty or less carbon atoms. Results from the CORGC equation for binary mixtures are generally comparable with those calculated using the Soave molecular equation of state with a binary interaction parameter adjusted to best fit the data. The CORGC equation is modified for extension to polar fluids and their mixtures by the addition of a polar attractive pressure. Parameters for four polar groups are determined, and results are presented for pure fluids and mixtures involving normal alcohols, water and nonpolar components. Predictions for vapor-liquid equilibrium of a few binary mixtures show deviations from data similar to those found for mixtures included in the data base. Results for polar:polar systems are generally good, but calculations for polar:nonpolar mixtures often show large deviations from data.
Degree
Ph.D.
Advisors
Greenkorn, Purdue University.
Subject Area
Chemical engineering
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