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    EPR Dosimetry based on Monte Carlo Method (Simulation and Measuring Dose with EPR Method)

    , M.Sc. Thesis Sharif University of Technology Rabi'ee, Amir (Author) ; Hosseini, Abolfazl (Supervisor) ; Mohammadzadeh, Mohammad (Co-Advisor)
    Abstract
    The Electron Paramagnetic Resonance(EPR) is a retrospective and accurate dosimetry method to measure irradiated-induced radical population in the matter for determination the induced dose in the matter. The dose uncertainties will be about 1 percent. in the first stage of the present research, the response of EPR system to a reference sample has been measured. Then, responses due to the other samples has been compared with it and the secondary sample dose has been calculated. The reference sample usually is alanine. Unlike the perturbation theory forecast,the EPR signal intensity response to dose for alanine is not linear. In this thesis, first, the alanine samples (with pellet form) have... 

    Synthesis of nZVI-Ni@BC composite as a stable catalyst to activate persulfate: Trichloroethylene degradation and insight mechanism

    , Article Journal of Environmental Chemical Engineering ; Volume 9, Issue 1 , 2021 ; 22133437 (ISSN) Shan, A ; Idrees, A ; Zaman, W. Q ; Abbas, Z ; Ali, M ; Rehman, M. S. U ; Hussain, S ; Danish, M ; Gu, X ; Lyu, S ; Sharif University of Technology
    Elsevier Ltd  2021
    Abstract
    In Fenton-like oxidation processes, the use of biochar (BC) as support material for the nanoscale zero valent iron-nickel (nZVI-Ni) bimetallic particles attained much attention to activate persulfate (PS) for TCE degradation in aqueous medium. In present work, nZVI-Ni@BC particles with nZVI-Ni to BC mass ratio of 1:5 exhibited excellent results (> 99 % ± 0.24) for TCE degradation. The physico-chemical characteristics, surface morphologies, and elemental mapping of the synthesized nZVI-Ni@BC particles investigated through SEM, EDX, TEM, XPS, XRD, BET and FTIR spectroscopy. For the nZVI-Ni@BC-persulfate system, the effects of PS concentration, initial pH, inorganic ions and natural organic... 

    Explanation of atomic displacement around lattice vacancies in diamond based on electron delocalization

    , Article European Physical Journal B ; Volume 65, Issue 2 , 2008 , Pages 219-223 ; 14346028 (ISSN) Heidari Saani, M ; Hashemi, H ; Ranjbar, A ; Vesaghi, M. A ; Shafiekhani, A ; Sharif University of Technology
    2008
    Abstract
    The relationship between unpaired electron delocalization and nearest-neighbor atomic relaxations in the vacancies of diamond has been determined in order to understand the microscopic reason behind the neighboring atomic relaxation. The Density Functional Theory (DFT) cluster method is applied to calculate the single-electron wavefunction of the vacancy in different charge states. Depending on the charge and spin state of the vacancies, at outward relaxations, 84-90% of the unpaired electron densities are localized on the first neighboring atoms. The calculated spin localizations on the first neighboring atoms in the ground state of the negatively charged vacancy and in the spin quintet... 

    The structure, magnetism and EPR spectra of a (μ-thiophenolato)(μ-pyrazolato-N,N′) double bridged dicopper(II) complex

    , Article Dalton Transactions ; Volume 44, Issue 5 , Dec , 2015 , Pages 2431-2438 ; 14779226 (ISSN) Khadir, N ; Boghaei, D. M ; Assoud, A ; Nascimento, O. R ; Nicotina, A ; Ghivelder, L ; Calvo, R ; Sharif University of Technology
    Royal Society of Chemistry  2015
    Abstract
    A new binuclear copper(ii) complex, namely [Cu2L(pz)(DMSO)], where L = 2,6-bis[(2-phenoxy)iminomethyl]-4-methylthiophenolate(3-) and pz = pyrazolate ligand, has been synthesized by a one-pot synthesis involving copper(ii) acetate monohydrate, the S-protected ligand precursor 2-(N,N-dimethylthiocarbamato)-5-methylisophthalaldehyde di-2′-hydroxy anil, (I), and pyrazole, in which a metal-promoted S-deprotection reaction occurs during the formation of the complex. This was characterized by routine physicochemical studies, single crystal X-ray diffraction and electron paramagnetic resonance (EPR) techniques. The structure analysis reveals that there are copper centres in two different... 

    Advancement in Fenton-like reactions using PVA coated calcium peroxide/FeS system: Pivotal role of sulfide ion in regenerating the Fe(II) ions and improving trichloroethylene degradation

    , Article Journal of Environmental Chemical Engineering ; Volume 9, Issue 1 , 2021 ; 22133437 (ISSN) Ali, M ; Zhang, X ; Idrees, A ; Tariq, M ; Danish, M ; Farooq, U ; Shan, A ; Jiang, X ; Huang, J ; Lyu, S ; Sharif University of Technology
    Elsevier Ltd  2021
    Abstract
    This study demonstrated the prolonged benefits of polyvinyl-coated calcium peroxide (PVA@CP) in Fe(II)/nFeS mediated Fenton-like reaction. PVA@CP was prepared by a coating of PVA on calcium peroxide (CP) and synthesized nano-sized iron sulfide (nFeS) was characterized by scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HR-TEM) with energy dispersive spectroscopy (EDS) elemental mapping, X-ray diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma optical emission spectroscopy (ICP-OES) and Fourier transmission infrared (FTIR) techniques. Trichloroethylene (TCE) degradation in various oxic environments (H2O2, CP, or... 

    Advancement in Fenton-like reactions using PVA coated calcium peroxide/FeS system: Pivotal role of sulfide ion in regenerating the Fe(II) ions and improving trichloroethylene degradation

    , Article Journal of Environmental Chemical Engineering ; Volume 9, Issue 1 , 2021 ; 22133437 (ISSN) Ali, M ; Zhang, X ; Idrees, A ; Tariq, M ; Danish, M ; Farooq, U ; Shan, A ; Jiang, X ; Huang, J ; Lyu, S ; Sharif University of Technology
    Elsevier Ltd  2021
    Abstract
    This study demonstrated the prolonged benefits of polyvinyl-coated calcium peroxide (PVA@CP) in Fe(II)/nFeS mediated Fenton-like reaction. PVA@CP was prepared by a coating of PVA on calcium peroxide (CP) and synthesized nano-sized iron sulfide (nFeS) was characterized by scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HR-TEM) with energy dispersive spectroscopy (EDS) elemental mapping, X-ray diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma optical emission spectroscopy (ICP-OES) and Fourier transmission infrared (FTIR) techniques. Trichloroethylene (TCE) degradation in various oxic environments (H2O2, CP, or...