“…In this fullerene, the smallest bond is about 1.39 and the largest is about 1.56 angstroms. Figure 19 shows how the electrical charge distribution of the C 28 structure is on the Mulliken scale 54 . Figure 19 The electric charge distribution of the C28 structure on the Mulliken scale.…”
This research investigates the enhancement of CO2 adsorption capacity through the use of modified activated carbon (AC) with LiOH, focusing on operational conditions and adsorbent properties. Response Surface Methodology (RSM) is employed to optimize process parameters for maximizing CO2 adsorption capacity. The study considers temperature, pressure, LiOH concentration for modification, and adsorbent weight as independent variables across five levels. Analysis of Variance reveals that LiOH concentration, adsorbent quantity, pressure, and temperature significantly influence CO2 adsorption. Optimal values for temperature (30°C), pressure (9 bar), LiOH concentration (0.5 mol/L), and adsorbent weight (0.5 g) result in a maximal CO2 adsorption capacity of 154.90 mg/g. Equilibrium adsorption capacity is utilized for modeling, with the Freundlich model proving suitable for CO2 adsorption on LiOH-AC. Kinetic modeling indicates the second-order model's suitability for temperatures of 30 °C and 50 °C, while the Elovich model fits temperatures of 70 °C and 90 °C. Thermodynamic modeling at the optimized conditions (303 K and 6 bar) yields ∆H, ∆S, and ∆G values of adsorption as 12.258 kJ/mol, − 0.017 kJ/mol·K, and − 7.031 kJ/mol, respectively. Furthermore, structural considerations of AC are discussed alongside modeling and simulation, presenting the adsorption rate of CO2 and the binding energy index based on Density Functional Theory (DFT).
“…In this fullerene, the smallest bond is about 1.39 and the largest is about 1.56 angstroms. Figure 19 shows how the electrical charge distribution of the C 28 structure is on the Mulliken scale 54 . Figure 19 The electric charge distribution of the C28 structure on the Mulliken scale.…”
This research investigates the enhancement of CO2 adsorption capacity through the use of modified activated carbon (AC) with LiOH, focusing on operational conditions and adsorbent properties. Response Surface Methodology (RSM) is employed to optimize process parameters for maximizing CO2 adsorption capacity. The study considers temperature, pressure, LiOH concentration for modification, and adsorbent weight as independent variables across five levels. Analysis of Variance reveals that LiOH concentration, adsorbent quantity, pressure, and temperature significantly influence CO2 adsorption. Optimal values for temperature (30°C), pressure (9 bar), LiOH concentration (0.5 mol/L), and adsorbent weight (0.5 g) result in a maximal CO2 adsorption capacity of 154.90 mg/g. Equilibrium adsorption capacity is utilized for modeling, with the Freundlich model proving suitable for CO2 adsorption on LiOH-AC. Kinetic modeling indicates the second-order model's suitability for temperatures of 30 °C and 50 °C, while the Elovich model fits temperatures of 70 °C and 90 °C. Thermodynamic modeling at the optimized conditions (303 K and 6 bar) yields ∆H, ∆S, and ∆G values of adsorption as 12.258 kJ/mol, − 0.017 kJ/mol·K, and − 7.031 kJ/mol, respectively. Furthermore, structural considerations of AC are discussed alongside modeling and simulation, presenting the adsorption rate of CO2 and the binding energy index based on Density Functional Theory (DFT).
“…Because any type of carbon reduction does not mean effective activation in order to use it as an adsorbent 20 . Our recent research shows that the reduction of carbon structures with hydrogen reduces its interaction with the environment 21 – 23 . However, there are tricks to adapt activated carbon to adsorb carbon dioxide.…”
In this work, the potential of monohydrate Lithium hydroxide (LiOH) as a high capacity adsorbent for CO2 capture was investigated experimentally and theoretically. The effects of operating parameters, including temperature, pressure, LiOH particle size and LiOH loading, on the CO2 capture in a fixed-bed reactor have been experimentally explored using response surface methodology (RSM) based on central composite design. The optimum conditions obtained by the RSM for temperature, pressure, mesh and maximum adsorption capacity were calculated as 333 K, 4.72 bar, 200 micron and 559.39 mg/g, respectively. The experiments were evaluated using isotherm, kinetic and thermodynamic modeling. Isotherm modeling showed that Hill model could deliver a perfect fit to the experimental data, based on the closeness of the R2-value to unity. The kinetics models showed that the process was chemical adsorption and obeyed the second order model. In addition, thermodynamic analysis results showed that the CO2 adsorption was spontaneous and exothermic in nature. In addition, based on the density functional theory, we investigated the chemical stability of LiOH atomic clusters and examined the effects of LiOH nanonization on the physical attraction of carbon dioxide.
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