The thermal degradation of some sulfonic cationites namely Amberlite IR-120, Indion-223 and Indion-225 was investigated using instrumental techniques like thermal analysis (TG) and Scanning Electron Microscopy (SEM). Fourier Transform Infrared Spectroscopy (FTIR) was used to characterize the resins degradation steps. The sulfonic cationites undergo degradation through dehydration, followed by decomposition of sulfonic acid functional groups liberating SO 2 . The thermogravimetric analysis of above cationites at higher temperature up to 520˚C, show mass loss of 61.61% and 25.43% respectively for Indion-223 and Indion-225, while Amberlite IR-120 cationite get burned off completely.

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A penta-aza ligand was designed using the Density Functional Theory (DFT), synthesized, and then loaded on a polystyrene matrix to prepare a functional polymer as a Co(II) selective adsorbent. A comparative experimental study on adsorption of Co(II) and Zr(IV) revealed that the polymer-supported ligand is more selective toward Co(II) than Zr(IV) from aqueous acidic solutions. The maximum adsorption capacities of the adsorbent for Co(II) and Zr(IV) were 4.1 and 0.5 mg/g, respectively, at pH 1.0. Vibrational frequencies of the metalÀligand complexes were calculated with the VWN-BP functional to confirm true local minima.

The current study provides molecular-level insights into the CO2–amine functionalized polystyrene complexes, enabling design of newer CO2 selective adsorbents.