Volume 6: Innovative Solutions for Energy Transitions: Part V

Adsorption Study of Carbon Dioxide in ‘L’ Shaped Slit Pores at High Temperatures and Pressuers Using Monte Carlo Simulations Nithin B. Kummamuru , Angan Sengupta, Srikanta Dinda

Abstract

CO2 capture from high operating temperatures are of special interest as it is economically appealing over low temperature CO2 capture process in Post-combustion capture. This work contributes to the estimation of new and complementary density data for CO2 confined in ‘L’ shaped carbon slit pores at high temperatures and pressures. CO2 adsorption capacities in ‘L’ shaped carbon slit pores of heights 20Å, 31.6Å, 63.2Å, 94.85Å and 126.5Å at 673.15 K and 873.15 K over a pressure range of 500 kPa to 4000 kPa are predicted by Grand Canonical Monte Carlo simulations. Elementary Physical Model is employed to model CO2 at these temperatures and pressures both in bulk and confined phase. CO2 adsorption capacities and the unique structural properties of the confined CO2 at all the condition mentioned above has been estimated in presence of the wall-fluid interactions and the fluid-fluid interactions. The Steele wall potential is used to model the wall-fluid interactions inside carbon-based adsorbents that have a slit shaped geometry.

Keywords Slit pores, Carbon dioxide adsorption, GCMC simulations, Structural properties, High Temperatures