Casimir–van der Waals Layer-by-Layer Stacks for Catalytic Pollutant and CO2 Conversion

PROBLEM: Catalytic conversion in a layered stack depends on reactants reaching active sites through nanometre gaps where dispersion forces can either assist approach or hold molecules in non-productive orientations. A catalyst designed only around chemical binding may waste its active sites if dispersion forces keep reactants away from them or trap products near them. The layered geometry and the dispersion physics must be designed together.

SOLUTION: IBM Cloud Ideas would provide a capability for modelling layered catalytic stacks that combines DFT-predicted active-site binding with Casimir/van der Waals dispersion-force estimates for each interlayer gap. The capability would let teams compare layer spacings on a common modelled footing, require regeneration and reuse accounting, and keep deposition, curing, and regeneration energy attached to each design. It supports catalytic design without asserting conversion.

EVIDENCE BASIS: Casimir/van der Waals dispersion forces are DOCUMENTED: quantum-fluctuation forces between uncharged surfaces at nanoscale; Casimir measured 1997 (Lamoreaux). DFT (Hohenberg–Kohn 1964, Kohn–Sham 1965, Nobel 1998) predicts which surface groups bind which species. Biosorption is validated via batch isotherms, qe = (C0 − Ce)V/m, with Langmuir and Freundlich isotherms as textbook models. Source: Lamoreaux 1997 Casimir measurement and textbook DFT and biosorption isotherm literature as summarised in the batch method.