Correlation and prediction of solubility of hydrogen in alkenes and its dissolution properties

Abstract

In this work, solubility of hydrogen in some alkenes was investigated at different temperatures and pressures. Solubility values were calculated using the Peng–Robinson equation of state. Binary interaction parameters were calculated using fitting the equation of state on experimental data, Group contribution method and Moysan correlations and total average absolute deviation for these methods was 3.90, 17.60 and 13.62, respectively. Because hydrogen solubility in Alkenes is low, Henry’s law for these solutions were investigated, too. Results of calculation showed with increasing temperature, Henry’s constant was decreased. The temperature dependency of Henry’s constants of hydrogen in ethylene and propylene was higher than to other alkenes. In addition, using Van’t Hoff equation, the thermodynamic parameters for dissolution of hydrogen in various alkenes were calculated. Results indicated that the dissolution of hydrogen was spontaneous and endothermic. The total average of dissolution enthalpy ($${\Delta H}^{^\circ }$$ Δ H ∘ ) and Gibbs free energy ($${\Delta G}^{^\circ }$$ Δ G ∘ ) for these systems was 3.867 kJ/mol and 6.361 kJ/mol, respectively. But dissolution of hydrogen in almost of alkenes was not an entropy-driven process.

Kinetics of Liquid-Phase 1-Butene Hydroisomerization over Pd/Al2O3 Catalysts

“…For the liquid-phase hydroisomerization of 1-butene, hydrogen is dissolved in the liquid mixture and then adsorbed on the surface of the Pd/Al 2 O 3 catalyst. , Since the external and internal diffusion limitations are eliminated in kinetics experiments, the dissolution and diffusion of hydrogen in the C4 mixture could not be rate-determining steps. Thus, it is reasonable to assume that the concentration of hydrogen in the liquid mixture is in equilibrium with the partial pressure of hydrogen in the gas phase . Based on this assumption, the concentration of hydrogen in the liquid phase can be calculated using the general principles of vapor–liquid equilibrium, − and the detailed calculation can be found in the Supporting Information.…”

Steady-State and Dynamic Modeling of the Solution Polyethylene Process Based on Rigorous PC-SAFT Equation of State

“…The binary interaction parameters affect the phase behavior in the successive solution polymerization reactors, which further influence the reaction rates and polymer properties. In this work, the binary parameters for each nonpolymer/nonpolymer pair were regressed by adopting the vapor–liquid equilibrium (VLE) data from the literature, − and the binary parameters for each nonpolymer/polymer pair were regressed by adopting the solubility data from the literature. − All of the binary interaction parameters of the PC-SAFT EOS are listed in Table .…”

Modeling hydrogen solubility in hydrocarbons using extreme gradient boosting and equations of state

“…The methods for predictions of hydrogen solubility in solvents such as hydrocarbons or petroleum mixture are mostly based on the application of empirical and semi-empirical models such as EOSs and are alike to those applied for solubility of other gases such as methane and CO 2 [10][11][12][13][14][15] . Shaw 16 proposed a correlation for measuring the solubility of hydrogen in hydrocarbon solvents including heterocyclic, aromatic, and alicyclic type, by applying corresponding state theory 16 .…”