Theoretical Study On The Solubilization Behavior Of Typical Polycyclic Aromtic Hydrocarbon By A Photosensitive Reversible Surfactant AZTMA

Hydrophobic organic compounds (HOCs), such as polycyclic aromatic hydrocarbons (PAHs), organ chlorine pesticides and petroleum hydrocarbon, are one of the most difficult contaminants for the remediation of organic polluted soil. Due to the high toxicity, low water solubility and anti-biological availability, this kind of contaminants often show strong tendency to be sorbed onto soil, and it is difficult to remove them through the physical or biological approaches. Technique of traditional SER has several merits:short implementation period and high treating efficiency. However, because of the difficulty of the separation of surfactant and solubilized contaminants, the repeated use of surfactant is limited and cost is the major constraint of application and promotion of SER. In addition, the residual washing/flushing agent caused by incomplete treatment will also lead to secondary pollution to the environment.AZTMA is a kind of photosensitive reversible surface active agent, studies have confirmed that is a kind of ideal can be used for RSER surfactant. However, predecessors in the study of reversible surfactant solubilization polycyclic aromatic hydrocarbons law, and no systematic study solubilization process and regulation. This study by using molecular simulation method and experimental method of combining the, tries to probe into its solubilization process and regularity, for further effective use in the future to provide more theoretical support. The innovative research results are as follows:(1) AZTMA quantitative calculation results show that AZTMA exist complementation of two different structure, under ultraviolet light, the trans AZTMA into cis, and under visible light irradiation, the cis into trans incomplete, conversion efficiency is about 0.782, calculation results are in conformity with concluded by experiment results.(2) AZTMA aggregation behavior in the aqueous solution of molecular dynamics simulation results show that AZTMA self-assembly to form micelles in aqueous solution can be, after joining pyrene molecules, pyrene molecules, water, AZTMA micelle, interaction, pyrene molecules to micellar solubilization of kernel barrier layer, by micellar hydrophobic chain.3) dynamic light scattering research results show that with the increase of AZTMA concentration in the solution, the formation of aggregate particle size increases gradually, after reaching above the CMC is basically remain unchanged, and in the concentration of the certain concentration range size, temperature, inorganic salt to join the micellar particle size had no effect(4) the steady-state fluorescence spectra of the research results show that the steady-state fluorescence can be measured AZTMA in aqueous micellar aggregation number is 78, estimates of micellar particle size are consistent with the theoretical calculation, the barrier layer is the most likely solubilization sites.