HF Resistant Porous Aromatic Frameworks for Electronic Special Gases Separation.

Abstract

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 New-PAF-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 N2 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.