Slika naslovnice

Phenomenal simulation modelling of X-ray diffraction patterns of pyrite ash bioprocessed in Acetobacter aceti contained media

Phenomenal profiling functions were applied for the simulation of an X-ray diffraction (XRD) pattern of pyrite ash bioprocessed in Acetobacter aceti contained growth media. The full width at half maximum (FWHM) values were estimated for each pattern of pyrite ash, and the Bragg equation was used to...

Full description

Permalink: http://skupnikatalog.nsk.hr/Record/nsk.NSK01001144974/Details
Matična publikacija: Kemija u industriji (Online)
70 (2021), 1/2 ; str. 29-38
Glavni autor: Ermurat, Yakup (Author)
Vrsta građe: e-članak
Jezik: eng
Predmet:
Rendgenska difrakcija uzorka > Piritni pepeo > Acetobacter aceti > Kristalit
Online pristup: https://doi.org/10.15255/KUI.2020.032
Kemija u industriji (Online)
Hrčak
LEADER 03269naa a22003614i 4500
001 NSK01001144974
003 HR-ZaNSK
005 20221206145332.0
006 m d
007 cr||||||||||||
008 220803s2021 ci d |o |0|| ||eng
024 7 |2 doi  |a 10.15255/KUI.2020.032 
035 |a (HR-ZaNSK)001144974 
040 |a HR-ZaNSK  |b hrv  |c HR-ZaNSK  |e ppiak 
041 0 |a eng  |b hrv 
042 |a croatica 
044 |a ci  |c hr 
080 1 |a 66  |2 2011 
100 1 |a Ermurat, Yakup  |4 aut  |9 HR-ZaNSK 
245 1 0 |a Phenomenal simulation modelling of X-ray diffraction patterns of pyrite ash bioprocessed in Acetobacter aceti contained media  |h [Elektronička građa] /  |c Yakup Ermurat. 
300 |b Graf. prikazi. 
504 |a Bibliografija: 16 jed. 
504 |a Abstract ; Sažetak. 
520 |a Phenomenal profiling functions were applied for the simulation of an X-ray diffraction (XRD) pattern of pyrite ash bioprocessed in Acetobacter aceti contained growth media. The full width at half maximum (FWHM) values were estimated for each pattern of pyrite ash, and the Bragg equation was used to determine the atomic layer spacing, as well crystallite size and strain broadening were accomplished by applications of Scherrer and Williamson-Hall equations. Errors in line broadening were correlated with the FWHM equations of the generalised profiling functions, and the microstrain (ε) was estimated with the relation between the integral breadth (βi) and cosθ. Furthermore, the XRD pattern of a discrete peak was 3D simulated using Gaussian, Lorentzian, Pearson VII, pseudo-Voigt, and Voigt functions. The Gaussian function with a round top peak was designated the most suitable profile simulation by offering the maximum peak height, Imax and tails comparable to the experimental peak. 
520 |a Fenomenalne funkcije profiliranja primijenjene su za simulaciju rendgenske difrakcije (XRD) uzorka piritnog pepela bioprocesiranog u medijima koji sadrže Acetobacter aceti. Vrijednosti širine linije na polovici visine (FWHM) procijenjene su za svaki uzorak piritnog pepela. Braggova jednadžba primijenjena je za određivanje razmaka atomskog sloja, dok su za veličinu kristalita i širenje deformacija primijenjene Scherrerove i Williamson-Hallove jednadžbe. Pogreške u proširivanju linija povezane su s jednadžbama generaliziranih funkcija profiliranja FWHM, a mikronaprezanje (ε) je procijenjeno odnosom između integralne širine (βi) i cosθ. Nadalje, XRD uzorak diskretnog vrha prikazan je 3D simulacijom primjenom Gaussove, Lorentzianove, Pearsonove VII, pseudo-Voigtove i Voigtove funkcije. Gaussova funkcija s okruglim vrhom pokazala se najprikladnijom simulacijom profila nudeći maksimalnu visinu vrha, Imax i krajeve usporedive s eksperimentalnim vrhom. 
653 0 |a Rendgenska difrakcija uzorka  |a Piritni pepeo  |a Acetobacter aceti  |a Kristalit 
773 0 |t Kemija u industriji (Online)  |x 1334-9090  |g 70 (2021), 1/2 ; str. 29-38  |w nsk.(HR-ZaNSK)000530475 
981 |b Be2021  |b B03/21 
998 |b tino2212 
856 4 0 |u https://doi.org/10.15255/KUI.2020.032 
856 4 0 |u http://silverstripe.fkit.hr/kui/issue-archive/article/770  |y Kemija u industriji (Online) 
856 4 0 |u https://hrcak.srce.hr/250596  |y Hrčak 
856 4 1 |y Digitalna.nsk.hr 

Slični primjerci