Adsorption of CO2, N2 and CH4 on a Fe-based metal organic framework, MIL-101(Fe)-NH2

MIL-101(Fe)-NH2 was synthesized using solvothermal method to assess the selective adsorption of CO2 over N-2 and CH4. The BET surface area of adsorbent sample was 915 m(2).g(-1). The adsorption capacities of CO2, N-2 and CH4 on MIL101(Fe)-NH2 at 4 MP and 298 K were achieved equal to 13, 3.8 and 5 mmol.g(-1) respectively. Khan adsorption equilibrium model was applied to correlate the adsorption isotherms of pure gases. In addition to Khan model, the adsorption isotherm of CO2, which showed type II behavior, was also obtained by BET model as well as a newly presented hybrid model, which resulted in excellent agreement with the experimental data. Moreover, the selectivity of CO2 over N-2 and CH4 was estimated by Ideal Adsorbed Solution Theory (IAST). Comparison of the achieved results from IAST method with experimental data verified the accuracy of this method in the lower pressure. The selectivity coefficient was about 2.2 for CO2 over N-2 and CH4 at 16 bar. The achieved results from a classical micropore diffusion model showed that the diffusion coefficient of the pure gases was approximately constant with pressure. Moreover, the estimated values for diffusion time constants (D-C/r(C)(2) x 10(3)) for CO2, N-2 and CH4 were obtained equal to 1.178, 1.118, and 0.802 respectively. The adsorption kinetic data were also correlated with empirical models. Ultimately, the results showed that pseudo-nth order empirical model achieved the best agreement with the experimental data, and it can be successfully applied for kinetic modeling of gas adsorption by MIL-101(Fe)-NH2 MOF.

Automated summary

MIL-101(Fe)-NH2 was synthesized using the solvothermal method to evaluate its selective adsorption of CO2 over N-2 and CH4. The study found that the adsorption capacity of CO2 was the highest. Different adsorption isotherm models, including Khan model, BET model, and a hybrid model, were used to correlate the adsorption behavior of CO2, showing good agreement with experimental data. The selectivity of CO2 over N-2 and CH4 was estimated to be around 2.2 at 16 bar using Ideal Adsorbed Solution Theory (IAST).