Addition of the Hydrogen Sulfide Group to the PPR78 Model (Predictive 1978, Peng-Robinson Equation of State with Temperature Dependent kij Calculated through a Group Contribution Method)

In 2004, we started to develop the PPR78 model which is a group contribution method aimed at estimating the temperature dependent binary interaction parameters (k(ij)(T)) for the widely used Peng-Robinson equation of state. In our previous papers, 13 groups were defined: CH3, CH2, CH, C, CH4 (methane), C2H6 (ethane), CHaro, C-aro C-fused_aromatic_rings CH2,(cyclic), CHcyclic or C-cyclic, CO2, and N-2. It was thus possible to estimate the k(ij) for any mixture containing alkanes, aromatics, naphthenes, carbon dioxide, and nitrogen whatever the temperature. In this study, the PPR78 model is extended to systems containing hydrogen sulfide. To do so, the group H2S was added. From a general overview on the results obtained from the whole constituted experimental data bank, one can see that the PPR78 model is able to quite accurately predict the behavior of the systems containing H2S.