Modelling CO₂/Xe absorption using PC-SAFT equation of state
Almassi Tighi, Karo (2023)
Diplomityö
2023
School of Engineering Science, Kemiantekniikka
Julkaisun pysyvä osoite on
https://urn.fi/URN:NBN:fi-fe20231214154221
https://urn.fi/URN:NBN:fi-fe20231214154221
Tiivistelmä
Xenon (Xe), a precious resource essential for numerous critical applications, poses a daunting challenge due to its extreme scarcity in nature. The predominant method of Xe production relies on energy-intensive cryogenic distillation from air, exacerbating its limited availability. To ensure a stable supply and unleash Xe's potential across diverse industries, post-use recovery becomes an imperative solution.
In specific anaesthetic compositions with CO₂ levels below 5% and in humid conditions, our research showcases remarkable stability in CO₂/Xe selectivity.
The findings demonstrate a good agreement between the PC-SAFT model results and experimental data gathered from the literature. Notably, the maximum AARD of 7.06% was observed for the solubility of CO₂ in [HMIM][Tf₂N], while the minimum AARD was obtained for the solubility of Xe in [HMIM][Tf₂N]. Upon analysing the simulation results for the ternary systems of Xe+CO₂+IL, the highest selectivity was observed at the lowest pressure and temperature investigated in this thesis (1 bar and 293.15 K). However, under these conditions, both Xe and CO₂ exhibited low solubility. Subsequent analysis revealed that the optimal conditions involve the lowest temperature and highest pressure explored in this thesis (50 bar and 293.15 K). Under these conditions, the solubility of CO₂ in ILs exceeds 0.73 (mol/mol) for all systems studied, while the solubility of Xe is less than 2e-5 (mol/mol). A comparative analysis of the two ionic liquids explored in this thesis indicates that [HMIM][Tf₂N] proves more effective than [BMIM][MeSO₄] for the separation of Xe from CO₂ across all temperatures and pressures.
In specific anaesthetic compositions with CO₂ levels below 5% and in humid conditions, our research showcases remarkable stability in CO₂/Xe selectivity.
The findings demonstrate a good agreement between the PC-SAFT model results and experimental data gathered from the literature. Notably, the maximum AARD of 7.06% was observed for the solubility of CO₂ in [HMIM][Tf₂N], while the minimum AARD was obtained for the solubility of Xe in [HMIM][Tf₂N]. Upon analysing the simulation results for the ternary systems of Xe+CO₂+IL, the highest selectivity was observed at the lowest pressure and temperature investigated in this thesis (1 bar and 293.15 K). However, under these conditions, both Xe and CO₂ exhibited low solubility. Subsequent analysis revealed that the optimal conditions involve the lowest temperature and highest pressure explored in this thesis (50 bar and 293.15 K). Under these conditions, the solubility of CO₂ in ILs exceeds 0.73 (mol/mol) for all systems studied, while the solubility of Xe is less than 2e-5 (mol/mol). A comparative analysis of the two ionic liquids explored in this thesis indicates that [HMIM][Tf₂N] proves more effective than [BMIM][MeSO₄] for the separation of Xe from CO₂ across all temperatures and pressures.