Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 3Citation - Scopus: 3Continuous Production of Hyperbranched Polyhydrocarbons by Electrochemical Polymerization of Chlorinated Methanes(Royal Society of Chemistry, 2022) Seo, Jae Hong; Büyükçakır, Onur; Rajendiran, Rajmohan; Seong, Won Kyung; Jiang, Yi; Kim, Min Hyeok; Büyükçakır, Onur; 04.01. Department of Chemistry; 04. Faculty of Science; 01. Izmir Institute of TechnologyA continuous production of polyhydrocarbon (PHC) by electrochemical polymerization of chlorinated hydrocarbons is presented. Monomer loading and product transfer were controlled by changing flow direction in a home-built continuous flow system that facilitates preparation, work-up, and scale-up of electrochemical polymerization. The polymerization can be tuned by adjusting reaction time, cell configuration, molar ratio of input chemicals, and the solvent type. CH2Cl2, CHCl3, and CCl4 were used to synthesize PHC. The reduction of the monomers at the cathode was studied by cyclic voltammetry and chronoamperometry. We investigated the structure and composition of PHCs from FT-IR and NMR spectra along with elemental analysis. Sufficient amounts of product are generated by continuous production and characterization of the product PHCs by a wide variety of methods is possible. Particularly, structural analysis by various C-13 NMR techniques suggests a new pathway for the synthesis of hyperbranched PHCs by electrochemical polymerization.Article Citation - WoS: 3Citation - Scopus: 3Atomic-Scale Investigation of the Effect of Surface Carbon Coatings on the Oxidation and Mechanical Properties of Iron Nanowires(Royal Society of Chemistry, 2021) Aral, Gürcan; Aral, Gürcan; 04.05. Department of Pyhsics; 04. Faculty of Science; 01. Izmir Institute of TechnologyThe understanding of the complex atomistic-scale mechanisms of the oxidation process of carbon (C) coated iron nanowires (Fe NW) and also the resulting modulation of mechanical properties is a highly challenging task. We perform reactive molecular dynamics (RMD) simulations based on the ReaxFF force field to investigate the mechanisms of the oxidation process of [001]-oriented pristine cylindrical Fe NWs with and without a C coating in an O2 environment in order to obtain detailed insights into the influences of the surface C coating on the oxidation process at room temperature. Here, we show that the C-coated shell layer on the free surface of pristine Fe NWs partially controls the spontaneous oxidation when exposed to O2 molecules by hindering the absorption-dissociation of O2 molecules and diffusion of O ions into the shell layer. In particular, the surface modification of the pristine Fe NW with the C-coated shell layer has pronounced effects on the improvement of oxidation resistance by lowering the surface reactivity, which limits the formation of an oxide shell layer on the free surface of the NW. The formation of strong Fe-C bonds in the C-coated shell layer largely restrains the oxidation process. Furthermore, to examine the influence of the C-coated shell layer on the resulting modulation of mechanical properties of the pristine Fe NW, we systematically investigate the mechanical deformation processes and related properties of Fe NW with and without a C coating including their oxidized counterparts subjected to both uniaxial tensile and compressive loads at room temperature. The yield stress and strain (the elastic limit) of Fe NWs including the elastic and plastic deformation phase of the stress-strain relationship are found to be sensitive to the loading modes, the existence of the C-coated shell layer and the resulting formation of an oxide shell layer on the surface of the C-coated Fe NW.