Modelling of hydrogen vapor-liquid equilibrium with oil & gas components

Accurate Predictions of the Effect of Hydrogen Composition on the Thermodynamics and Transport Properties of Natural Gas

“…The critical pressure using PR EoS can be enhanced with temperaturedependent k ij but resulting in a trade-off between restituting VLE data and critical coordinates. 35,36 It is worthy to note that for modeling a H 2 + n-C 3 H 8 binary mixture using polar soft-SAFT, the temperature-independent binary parameter was transferred from H 2 + C 2 H 6 (k ij = −0.1200), as highlighting its parameter transferability to other conditions and similar components. Note that the inclusion of temperature-dependent binary parameters using PR EoS might enhance its accuracy, as proven with classical cubic equations of state.…”

“…The industrially recognized thermodynamic models for natural gas systems include classical cubic equations of state (EoSs) such as Peng–Robinson (PR) and Soave–Redlich–Kwong (SRK) as well as multiparameter empirical EoSs such as Groupe Européen de Recherches Gazières (GERG)-2004/2008 , and AGA8-DC92, primarily for their good predictive accuracy and accessibility in common engineering simulators and thermodynamic databanks. In the context of H 2 -rich systems of interest for NG pipeline transportation, the use of classical cubic EoSs has mainly focused on modeling the phase equilibria and critical loci of binary mixtures with H 2 − and to a lesser extent examining other properties such as the Joule-Thomson (JT) coefficient , and viscosity . Although these models are easy and simple to use, a good level of VLE modeling accuracy would require additional parameters regressed to extensive collections of experimental data that are otherwise unsuitable for extrapolation beyond the fitting range.…”

Assessing Thermodynamics Models for Phase Equilibria and Interfacial Properties Relevant to the Hydrogenation of Carbon Dioxide

“…Another pressure-explicit EOS established by Demetriades and Graham should be acknowledged for CCS pipeline transport . The industrially recognized cubic EOS, such as Soave–Redlich–Kwong (SRK) and Peng–Robinson (PR), have been extensively used for these systems, completing experimental measurements to calculate phase equilibria and critical properties of binary mixtures with H 2 , − as well as derivative and transport properties. − Despite the success of cubic equations for describing H 2 -related fluid mixtures, the theory depends on the additional parameters regressed to extensive collections of experimental data, in which the extrapolation under other thermodynamic conditions remains unidentified. In addition, the accuracy of these equations decreases when predicting the behavior of substances that form strong associations between molecules, as classical EOS were developed by considering only dispersion forces.…”

Modeling of Simultaneous Chemical and Phase Equilibria in Systems Involving Non-reactive and Reactive Azeotropes

“…To account for mixture nonideality, the algorithm is coupled with traditional activity coefficient models UNIQUAC and UNIFAC, as well as the UMR-PRU EoS/G E model. UMR-PRU has been proven to yield accurate results in a variety of mixtures, including natural gas, − polar and associating mixtures, , hydrocarbon mixtures containing hydrogen or mercury, and aqueous alkanolamine solutions . UMR-PRU can also be used as a predictive tool by directly employing existing UNIFAC or UNIQUAC parameters.…”