Department of Petroleum Engineering.

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    SIMULATION OF IONIC LIQUIDS FOR THE REMOVAL OF ACID GASES IN NATURAL GAS PROCESSES
    (Covenant University Ota, 2025-08) Udogri, Obaro; Covenant University Dissertation
    This study presents a comprehensive simulation-based investigation integrating Aspen HYSYS and Density Functional Theory (DFT) to evaluate the performance of an ionic liquid (IL), 1-methyl-1-propylpiperidinium bis(trifluoromethanesulfonyl)-imide, for the effective removal of hydrogen sulfide (H₂S) and carbon dioxide (CO₂) from an untreated natural gas stream. The IL was selected based on its low toxicity, thermal stability, and favorable interaction with acid gases. The treatment phase involved modeling the gas absorption process in Aspen HYSYS and analyzing molecular interactions using DFT. Results showed that CO₂ preferentially binds to the anion ([TFSI]), while H₂S bonds to the cation ([MPPIP]). The calculated binding energies for both gases were minimal, indicating low energy requirements and a strong potential for efficient absorption. Under initial simulation conditions—206°C and 22.5 bar—the process achieved a 73.5% acid gas removal rate. Following this, optimization was performed to enhance the system’s performance. Sensitivity analyses revealed that temperature, pressure, and IL concentration significantly influenced gas absorption efficiency. The optimal operating conditions were found to be within a temperature range of 50°C to 78°C and a pressure of 18 bar. Although increasing the IL concentration improved acid gas absorption, it also reduced sweet gas recovery due to mass transfer effects. A balanced IL flowrate of 500 kmol/h was identified to maintain high efficiency while minimizing sweet gas loss. Statistical analysis using a two-factor interaction (2FI) model demonstrated a good model fit with an R² value of 83.2% and 87.6% of data closely matching the regression line. Final optimization using 3D response surface modeling revealed that the absorption efficiency could be increased from 73.5% to 95% by adjusting the operating conditions to 224°C and 28.5 bar.