In this study, zeolite-based sorbents were prepared and examined for CO$_2$ adsorption from a simulated flue gas mixture using a fixed-bed flow reactor. Various amines such as monoethanolamine, ethylenediamine, diethylenetriamine and triethylenetetramine (TETA) were impregnated on support materials to prepare the adsorbents. Also, the effects of various parameters on CO$_2$ adsorption capacity have been examined in this work. Further, an effort has been made to characterize various physico-chemical properties like surface area, pore volume, chemical composition, etc. of the in-house developedsorbents. Observation showed that the CO$_2$ adsorption capacity enhanced with amine loading up to a certain concentration. The maximum carbon capture capacity of the 30-TETA-ZSM-5 sorbent is around 53 g of CO$_2$/kg of adsorbent. The thermochemical stability of the adsorbents has been tested by reusing the same material for multiple adsorption–desorption cycles,and no significant change in CO$_2$ adsorption capacities was observed.

This work contributes to the estimation of new and complementary density data for carbon dioxide (CO$_2$) confined in carbon slit pores at different conditions. Grand canonical Monte Carlo (GCMC) simulations were employed topredict the CO$_2$ adsorption capacities in carbon slit pores of height 20, 31.6, 63.2, 94.85 and 126.5 Å at 673.15 and 873.15 K over a pressure range of 500–4000 kPa, which corresponds to steam reforming of methane process. The bulk densities of CO$_2$ at these temperature and pressure conditions have been estimated via isothermal–isobaric ensemble MC simulations using the Elementary Physical Model. The predicted density shows an excellent agreement with the experimental data. The adsorption capacities of CO$_2$ in all the aforementioned pores at 673.15 and 873.15 K over the pressure range of500–4000 kPa have also been estimated in the presence of wall–fluid interactions, in addition to the fluid–fluid interactions. The study on the thermodynamic phase behaviour of confined CO$_2$ in the presence of wall–fluid interactions showed the existence of vapour–liquid equilibria at high temperature and pressure conditions.