Fundamental Studies on Removal Technology Development of Several Environmental Inhibitors

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(1) The binding isotherms of nonionic surfactants onto water soluble polymer containing cyclodextrin (CD) were measured in aqueous solution. The nonionic surfactants used were polyoxyethylene nonylphenylether with different oxyethylene units. The binding affinities for nonionic surfactants decreased with increases in the length of oxyethylene units on the polymer. (2) Molecular mechanics (MM) and molecular dynamics (MD) simulations served to investigate the interaction of 2,3,7,8-tetrachlorodibenzodioxin(PCDD) and cycolodextrins (CD) in gas phase and water model. α-β-,γ-CD were used for the complex formation in this study. The more energetically stable complexes by inclusion with CD calculated based on MM were obtained compared with PCDD and CD alone, respectively. The structural information about the prefered complex formation by inclusion from the MD simulations was also obtained, and the relative stability of complex and the involved molecular interactions were determined. The results of the present MM and MD calculations were discussed, and compared with chemical structures and the relative stability of complexes. (3) The adsorption isotherms of phenol and onto bamboo charcoals and cyclodextrin beads were measured in aqueous solution. The bamboo charcoals used were different types of refinement degree prepared from different route temperature. In general, the adsorption affinities for phenol and bisphenol A increased with decreases in the refinement degree of bamboo charcoals. Phenol adsorbed about 10 times greater than bisphenol A. These results indicated that fine pores size of bamboo charcoals played an important role of the adsorption. The relationship between adsorption affinities and OSQR properties were also discussed in order to determine preferred adsorption behaviors of phenol and bisphenol A onto bamboo charcoals.