Improved structure of Zr-BTC metal organic framework using NH2 to enhance CO2 adsorption performance

Abstract Modified mesoporous NH 2 -Zr-BTC mixed ligand MOF nanocomposites were synthesized via the hydrothermal method as a novel adsorbent for CO 2 capture. The newly modified MOF-808 with NH 2 demonstrated a similar mesoporous morphology as MOF-808, whereas the specific surface area, pore volume, and average particle size, respectively, increased by 15%, 6%, and 46% compared to those of MOF-808. The characterization analyses exhibited the formation of more active groups on the adsorbent surface after modification. In addition, a laboratory adsorption setup was used to evaluate the effect of temperature, pressure, and NH 2 content on the CO 2 adsorption capacity in the range of 25–65 °C, 1–9 bar, and 0–20 wt%, respectively. An increase in pressure and a decrease in temperature enhanced the adsorption capacity. The highest equilibrium adsorption capacity of 369.11 mg/g was achieved at 25 °C, 9 bar, and 20 wt% NH 2 . By adding 20 wt% NH 2 , the maximum adsorption capacity calculated by the Langmuir model increased by about 4% compared to that of pure MOF-808. Moreover, Ritchie second-order and Sips models were the best-fitted models to predict the kinetics and isotherm data of CO 2 adsorption capacity with the high correlation coefficient ( R 2 > 0.99) and AARE% of less than 0.1. The ΔH °, ΔS °, and ΔG ° values were − 17.360 kJ/mol, − 0.028 kJ/mol K, and − 8.975 kJ/mol, respectively, demonstrating a spontaneous, exothermic, and physical adsorption process. Furthermore, the capacity of MH-20% sample decreased from 279.05 to 257.56 mg/g after 15 cycles, verifying excellent stability of the prepared mix-ligand MOF sorbent.