Peracetic acid (PAA) has been studied for wastewater disinfection applications for some 30 years and has been shown to be an effective disinfectant against many indicator microbes, including bacteria, viruses, and protozoa. One of the key advantages compared to, e.g., chlorine is the lack of harmful disinfection by-products. In this paper a pilot-scale study of PAAbased disinfection is presented. Indicator microbes (E. coli, total coliforms and coliphage viruses) as well as chemical parameters (pH, oxidation-reduction potential (ORP), chemical and biochemical oxygen demand (COD and BOD), and residual PAA and hydrogen peroxide) were studied. The main aim of this investigation was to study how these selected chemical parameters change during PAA treatment. Based on the results, disinfection was efficient at C•t values of 15 to 30 (mg•min)/ℓ which equals to a PAA dose of 1.5 to 2 mg/ℓ and a contact time of 10 to 15 min. In this concentration area changes in pH, COD and BOD were negligible. However, hydrogen peroxide residues may interfere with COD measurements and apparent COD can be higher than the calculated theoretical oxygen demand (ThOD). Additionally PAA or hydrogen peroxide residues interfere with the BOD test resulting in BOD values that are too low. Residual PAA and ORP were found to correlate with remaining amounts of bacteria.

Nanoparticles of iron and nickel are promising candidates as nanosized soft magnetic materials and as catalysts for carbon nanotube synthesis and CO methanation, among others. To understand geometry- and size-dependent properties of these nanoparticles, phase diagram of Fe/Ni alloy nanoparticles was calculated by density functional theory and cluster expansion method. Ground state convex is presented for face-centered cubic (FCC), body-centered cubic (BCC), and icosahedral (ICO) particles. Previous experimental observations were explained by using multiscale model for particles with realistic size (diameter ≥2 nm). At size 1.5 nm, geometry changes from BCC at low X­(Ni) to icosahedral at high X­(Ni). FCC is stabilized over icosahedral geometry by increasing number of atoms from 561 to 923. In large FCC particles, there is enrichment of Fe atoms from core to shell beneath surface, while surface and core are enriched by Ni atoms. Catalytic enhancement effect in CO methanation was found to be due to Ni incorporating in the active sites which brings adsorption energy of oxygen closer to the optimum. The predicted phase diagrams and implications on catalysis are expected to help rationalization of experimental results and provide guidance for design of Fe/Ni-based nanomaterials.

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