(480a) Prediction of the Fugacity of Hydrogen Gas Dissolved in Organic Solvents with Emphasis on the High-Temperature High-Pressure Subcooled Liquid State
AIChE Annual Meeting
2019 AIChE Annual Meeting
Fuels and Petrochemicals Division
Properties and Phase Equilibria for Fuels and Petrochemicals I
Wednesday, November 13, 2019 - 8:00am to 8:25am
The dissolved hydrogen fugacity data were obtained by integrating binary experimental data for the partial molar volume (PMV) of hydrogen dissolved in organic non-polar solvents. A literature survey identified hydrogen high-temperature high-pressure PMV data for six solvents: n-pentane, 2,3-dimethylbutane, benzene, cyclohexane, n-octane, 1,4-diethylbenzene, m-xylene and n-decane. As a preliminary step, the Peng-Robinson and PC-SAFT EOS were fit to binary vapor-liquid equilibrium (VLE) data for hydrogen with the respective solvents. The resulting fits of these two equations, as well as the predictions of the three other models were compared to the VLE data. The results of the comparison indicate that the correlative models adequately represent the VLE data, albeit with large values of the binary interaction coefficients. The 2 fitted models and predictive models were then used to calculate values of the partial molar volume and fugacity of hydrogen in the binary systems over a wide range of temperature, pressure and hydrogen concentration.
Using the EOS fit to VLE data and the two predictive models, additional calculations were performed to predict values of hydrogen fugacity in multicomponent liquid phase streams typical of the refining industry with products such as naphtha, kerosene and diesel. The results of this study are useful in validating short-cut methods for predicting hydrogen fugacity in subcooled streams to be used in HTHA susceptibility.