Vapor Pressure Prediction Using Group Contribution Method

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A group contribution method was developed for prediction of pure hydrocarbon vapor pressure in the reduced temperature range from 0.45 up to near critical point (0.95 Tc ). Experimental vapor pressure data of totally 456 hydrocarbon compounds were collected and used to obtain model parameters. The developed model employs the combinatorial and the residual UNIFAC terms and fugacity of pure hydrocarbons. The proposed modified model is incomparable accuracy to existing similar models that shows an excellent agreement between estimated and experimental data.

Vapor pressure; Group contribution; UNIFAC; Pure organic compound; Molecular structure