A new challenge for nanocrystalline α-zirconium phosphate: reaction with a diepoxyalkane

The reaction of nanocrystalline layered α-zirconium phosphate with a diepoxyalkane led to covalently pillared layered materials able to reversibly take up organic molecules both from liquid and vapor phases at room temperature.

Monte Carlo Simulation of Adsorption Isotherms of Pure C5-C7 Linear Alkanes in Pillared Layered Materials

The adsorption equilibria of pure linear alkanes, involving n-pentane, n-hexane, and n-heptane in pillared layered materials are simulated using configurational-bias Monte Carlo (CBMC) techniques in grand canonical ensemble. In the CBMC simulation, pillared layered pores are modelled by a uniform distribution of pillars between two solid layered walls with a given size of interlayer gallery. And a grid model is employed here to calculate the interaction between fluid molecules and two layered boards. Our simulation results are in a good agreement with the reported experimental data on the adsorption of nitrogen at 77 K, indicating that the grid model used in this work is effective. Then, a series of CBMC simulations of the adsorption isotherms of pure n-pentane, n-hexane, and n-heptane in pillared layered pores with three different porosities ψ = 0.98, 0.94 and 0.87, and three pore widths H = 1.02, 1.70 and 2.38 nm at temperature T = 300 K has been carried out.