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Hydrogen solubility in heavy undefined petroleum fractions is estimated by taking as starting point a method of characterization based on functional groups [Carreón-Calderón et al. (2012) Ind. Eng. Chem. Res. 51, 14188-14198]. Such method provides properties entering into equations of states and molecular pseudostructures formed by non-integer numbers of functional groups. Using Vapor-Liquid Equilibria (VLE) data from binary mixtures of known compounds, interaction parameters between hydrogen and the calculated functional groups were estimated. Besides, the incorporation of the hydrogen-carbon ratio of the undefined petroleum fractions into the method allows the corresponding hydrogen solubility to be properly estimated. This procedure was tested with seven undefined petroleum fractions from 27 to 6 API over wide ranges of pressure and temperature (323.15 to 623.15 K). The results seem to be in good agreement with experimental data (overall Relative Average Deviation, RAD < 15%)

Hydrogen Solubility in Heavy Undefined Petroleum Fractions Using Group Contributions Methods