An Accurate Model for Estimating H2 Solubility in Pure Water and Aqueous NaCl Solutions

Abstract

By employing a specific particle interaction theory and a high-precision equation of states for the liquid and vapor phases of H2, respectively, a new H2 solubility model in pure water and aqueous NaCl solutions is proposed in this study. The model established by fitting the experimental data of H2 solubility can be used to estimate H2 solubility in pure water at temperatures and pressures of 273.15–423.15 K and 0–1100 bar, respectively, and in salt solutions (NaCl concentration = 0–5 mol/kg) at temperatures and pressures of 273.15–373.15 K and 0–230 bar, respectively. By adopting the theory of liquid electrolyte solutions, the model can also be used to predict H2 solubility in seawater without fitting the experimental data of a seawater system. Within or close to experimental data uncertainty, the mean absolute percentage error between the model-predicted and experimentally obtained H2 solubilities was less than 1.14%.

Interfacial Tensions, Solubilities, and Transport Properties of the H2/H2O/NaCl System: A Molecular Simulation Study

“…In Table S13 of the Supporting Information, we provide an extensive database for solubilities of H 2 at temperatures of (298 to 363) K, H 2 partial pressures of (1 to 1000) bar, and at NaCl molalities of (0 to 6) mol/kg H 2 O. The solubilities of H 2 at partial pressures up to 100 bar are computed for a wider temperature range, i.e., (298 to 523) K. These data can be further used to test and train existing machine-learning models 33 or equations of state 148 for predicting H 2 solubilities 32 and the dotted lines represent the experimental correlation results of Chabab et al 31 The experimental data of Chabab et al, 31 and Tori ́n-Ollarves and Trusler, 32 and the simulation results of Lopez-Lazaro et al 74 (converted from Henry constants) are also shown. The error bars of the simulations of this work are comparable (Figure 5a) or smaller than (Figure 5b in saline solutions at conditions relevant to geological H 2 storage.…”

Accelerated iron valence cycling in Fenton system using activated hydrogen enhanced by MIL-100(Fe) modified by nano-Pd0 Particle

“…The oxidizing property of H 2 O 2 contributed only 2.2% removal efficiency of SMT. After the introduction of a trace amount of nano-Pd 0 particle into the mixture of H 2 O 2 and SMT, the removal efficiency of SMT increased to 6.2% based on the generation of •OH derived from the decomposition of H 2 O 2 catalyzed by Pd 0 ( Equation (4) ) [ 32 ]. Seven and two-tenths percent of SMT could be removed in the Pd 0 + H 2 +O 2 system by Fenton-like reaction because of the combination of hydrogen and oxygen catalyzed by Pd 0 ( Equation (3) ) [ 33 ].…”

Hydrogen and air storage in salt caverns: a thermodynamic model for phase equilibrium calculations

“…This model assumes that the vapour phase behaves ideally, which leads to non-negligible deviations at high pressure, as demonstrated in a previous study [11]. Recently, Zhu et al [12] also proposed a heterogeneous approach using a Pitzer model for the liquid phase. The fugacity of hydrogen in the vapour phase is calculated with a pure-hydrogen model.…”

“…This model will be parameterized to reproduce not only gas solubility in brine but also the composition of the vapor phase. The capability of the model to predict accurately the water content of the vapor phase is a key benefit compared to existing modeling works based on a heterogeneous approach [10,12,13]. Furthermore, the accuracy of a SAFT-based thermodynamic model, which includes specific terms to deal with association and electrolyte interactions, is expected to be at least the same as a cubic-based model such as the Soreide and Whitson equation of state, and to have better predictive behavior.…”