Journal of the American Chemical Society, Vol.130, No.2, 406-406, 2008
Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks
Adsorption isotherms for CO2 in IRMOF-1 exhibit inflections that grow into pronounced steps at lower temperatures. The isotherm shapes can be predicted by molecular simulations using a rigid crystal structure, indicating that changes in the MOF crystal structure are not responsible far the steps in this system.