HF Resistant Porous Aromatic Frameworks for Electronic Special Gases Separation

Here we report two HF acid resistant porous aromatic frameworks as adsorbents for high value-added electronic special gases (e.g., SF6, NF3, CF4, Xe, Kr) separation. The NewPAF-1 and N-SO3H exhibit exceptional adsorption selectivity for Xe and F-gases from semiconductor exhaust gas along with high physicochemical stability and excellent reusability, which have been collaboratively confirmed by single-component gas adsorption experiments, time-dependent adsorption rate tests, dynamic breakthrough experiments and regeneration tests. The theoretical calculations based on DFT and Mulliken atomic charge analyses elucidated the adsorption mechanism of New-PAF-1 and N-SO3H toward F-gases, Xe, Kr, and N-2 at molecular level, including adsorption site, binding energy and electrostatic potentials distribution. The systematic investigation sufficiently manifests that PAFs can act as highly stable porous adsorbents in harsh operating conditions.