Poly(acrylic acid/Kryptofix 23-Dimethacrylate) superabsorbent polymer [P (AA/Kry23-DM) SAP] was synthesized by solution polymerization to remove Co, Ni, Cu, Cd, Mn, Zn, Pb, Cr, and Fe ions in water and improve the quality of the water. Kry23-DM cross-linker (1,4,7,13,16-Pentaoxa-10,19 diazo cyclohexene icosane di methacrylate) was synthesized using Kry23 and methacryloyl chloride. The characterization of the molecules was done by FTIR, TGA, DSC, and SEM techniques. The effects of parameters such as pH, concentration, and the metal ion interaction on the heavy metal ions uptaking of SAP was investigated. It was observed that P (AA/Kry23-DM) SAP has maximum water absorption, and the absorption increases with the pH increase. Adsorption rates and sorption capacity, desorption ratios, competitive sorption (qcs), and distribution coefficient (log D) of P(AA/Kry23-DM) SAP were studied as a function of time and pH with the heavy metal ion concentration. Langmuir and Freundlich isotherms of the P (AA/Kry23-DM) SAP were investigated to verify the metal uptake. Molecular mechanic (MM2), Assisted Model Building with Energy Refinement (AMBER), and optimized potentials for liquid simulations (OPLS) methods. were used in quantum chemical calculations for the conformational analysis of the cross-linker and the SAP. ΔH0f calculations of the cross-linker and the superabsorbent were made using Austin Model 1(AM1) method.

Cationic polymerization of styrene (S) was performed with peroxy initiators synthesized from bis(4,4Ј-bromomethyl benzoyl peroxide) (BBP) or bromomethyl benzoyl t-butyl peroxy ester (t-BuBP) and AgSbF 6 or ZnCl 2 system at 0 and Ϫ10°C to obtain macromonomeric peroxy initiators (poly-S initiators). Kinetic studies were accomplished for poly-S initiators. Poly(styrene-block-methyl methacrylate) block copolymers [poly(S-b-MMA)] were synthesized by bulk polymerization of methyl methacrylate (MMA) with poly-S initiators. The quantum chemical calculations for the initiating systems of the cationic polymerization of S and poly(S-b-MMA) block copolymers were achieved using Hyperchem 7.5 program. The optimized geometries of the polymers were investigated with the quantum chemical calculations. Poly(S-b-MMA) block copolymers containing undecomposed peroxide groups were used to initiate thermal copolymerization of acrylic acid (AA) to obtain crosslinked poly(S-b-MMA-b-AA) multicomponent copolymers. The crosslinked multicomponent copolymers were investigated by sol-gel analysis. Swelling ratio values of the crosslinked multicomponent copolymers in CHCl 3 were calculated. Poly-S initiators having undecomposed peroxygen groups were used for graft copolymerization of polybutadien (PBd) to obtain crosslinked poly(S-graft-polybutadien) graft copolymers [poly(S-g-PBd)]. The characterizations of the polymers were achieved by FTIR, 1 H-NMR, GPC, SEM, and DSC techniques.

Cationic polymerization of tetrahydrofuran (THF) and epichlorohydrin (ECH) was performed with peroxy initiators synthesized from bis (4,4′‐bromomethyl benzoyl peroxide (BBP) or bromomethyl benzoyl t‐butyl peroxy ester (t‐BuBP) and AgSbF6 or ZnCl2 system at 0 °C to obtain the poly(THF‐b‐ECH) macromonomeric peroxy initiators. Kinetic studies were accomplished for poly(THF‐b‐ECH) initiators. Poly(THF‐b‐ECH‐b‐MMA) and poly(THF‐b‐ECH‐b‐S) block copolymers were synthesized by bulk polymerization of methyl methacrylate (MMA) and styrene (S) with poly(THF‐b‐ECH) initiators. The quantum chemical calculations for the block copolymers, the initiating systems of the cationic polymerization of THF and ECH were achieved using HYPERCHEM 7.5 program. The optimized geometries of the polymers were investigated with the quantum chemical calculations. Poly(THF‐b‐ECH) initiators having peroxygen groups were used for graft copolymerization of polybutadien (PBd) to obtain poly(THF‐b‐ECH‐g‐PBd) crosslinked graft copolymers. The graft copolymers were investigated by sol‐gel analysis. Swelling ratio values of the graft copolymers in CHCl3 were calculated. The characterizations of the polymers were achieved by FTIR, 1H NMR, GPC, SEM, TEM, and DSC techniques. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 2896–2909, 2010

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