Abstract
The solubility of H2S was measured in solutions of N-butyl-N-methylmorpholine acetate([Bmmorp][Ac])containing 20％-40％(mass)water at experimental temperatures ranged from 298.15 to 328.15 K and pressures up to 320 kPa.The total solubility of H2S increased with higher temperatures,lower pressures,and reduced water content.The reaction equilibrium thermodynamic model was used to correlate the solubility data.The results indicate that the chemical reaction equilibrium constant decrease with increasing water content and temperature,whereas Henry constant increase with increasing water content and temperature.Compared with other ionic liquids,H2S exhibits a higher physical absorption enthalpy and a lower chemical absorption enthalpy in[Bmmorp][Ac]aqueous solution.This suggests that[Bmmorp][Ac]has a strong physical affinity for H2S and low energy requirement for desorption.Quantum chemical methods were used to investigate the molecular mechanism of H2S absorption in ionic liquids.The interaction energy analysis revealed that the binding of H2S with the ionic liquid in a 1:2 ratio is more stable.Detailed analyses by the methods of the interaction region indicator and the atoms in molecules were conducted to the interactions between H2S and the ionic liquid.
基金项目
National Natural Science Foundation of China(21775081)
Shandong Province Natural Science Foundation(ZR2020MB145)
NETL
NSTL
维普
万方数据