Adsorption and Mobility of Polymers in Long Nanopores: From Non-eq Stat Mech to 2D-NMR

Left: Polymer moving outward and inward; Middle: EXSY pulse sequence and Schematic 2D-NMR peaks, Right: Equation and graph showing quantitative properties.

Scientific Achievement

Derived expressions for peak intensity in 2D-NMR experiments from linear free energy vs. penetration model and Fokker-Planck equation. Tennakoon et al. Nat. Catal. (2020), Chen and Peters, AIP Adv. (2022), Chen et al. J. Phys. Chem. C. (2022)

Significance and impact

Enables quantitative estimates of polymer reptation diffusivity and polymer-wall interactions in silica nanopores.  The results should help us understand how pore diameter, pore length, wall-functionality, and polymer chemistry impact adsorption and mobility in core-shell catalysts.

Chen, Z.;  Paterson, A. L.;  Perras, F. A.; Peters, B., J. Phys. Chem. C 2023, 127, 788-796. https://doi.org/10.1021/acs.jpcc.2c07510

iCOUP, an EFRC Supported by Basic Energy Sciences

Work was performed at UIUC and Ames Lab.