Dielectric barrier discharges (DBD) have been used in the degradation of dioxins due to the large number of excimers and free radicals produced in discharge process. In this article, the density functional theory (DFT) is used to study the degradation mechanism of octachlorinated dibenzo-p-dioxin (OCDD) with the atomic oxygen O(3P) in DBD reactor. The reactants, intermediates, transition states and products are optimized at the MPWB1K/6- 31 + G(d,p) level. The vibrational frequencies have been calculated at the same level. The reaction pathways and mechanisms are analyzed in detail. The effect of removing the chlorine atom on environment also has been discussed. 相似文献
The current improvement in science and engineering, actively dealing with surfaces and interfaces, turns into a functioning control with a thriving advancement propensity. Superlyophobic/superlyophilic phenomena in surface sciences have pulled in broad considerations of researchers and specialists. Inspired by the natural and living organism, researchers have designed different biomimetic materials with exceptional surface wettability, such as the smart wetting of asymmetric spider silk surfaces. These smart materials with superlyophobic/superlyophilic wettability are generally utilized for water assortment, self-cleaning, fluid transportation and separation, and many researchers’ domains. Among them, emulsion separation, including division of oil-water blend, mixtures of immiscible liquids and oil-water emulsions, is highlighted by an increasing number of researchers. Numerous materials with one- and two-dimensional morphology, smart surfaces, and super wettability have been effectively designed and utilized in various scientific research applications. We expect that these bioinspired materials with super wettability can have promising applications in practical for emulsion destabilization and liquid transportation.