Integrating multiple adsorption sites and tortuous diffusion paths into a metal–organic framework for C3H4/C3H6 separation

Abstract

By integrating open metal sites, Lewis basic sites, and tortuous diffusion paths, a new metal–organic framework has been designed and synthesized, which exhibits high adsorption capacity and excellent selectivity for separating a C₃H₄/C₃H₆ mixture. Meanwhile, the molecular packing state, dynamic diffusion coefficient of gases within the framework, and binding interaction are studied by molecular simulations.