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

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dc.authorid0000-0002-0159-5283en_US
dc.contributor.authorErmurat, Yakup
dc.date.accessioned2023-05-22T11:27:06Z
dc.date.available2023-05-22T11:27:06Z
dc.date.issued2021en_US
dc.departmentBAİBÜ, Mühendislik Fakültesi, Kimya Mühendisliği Bölümüen_US
dc.description.abstractPhenomenal profiling functions were applied for the simulation of an X-ray diffraction (XRD) pattern of pyrite ash bioprocessed in Acetobacter aced 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 (epsilon) was estimated with the relation between the integral breadth (beta(i)) and cos theta. 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, I-max and tails comparable to the experimental peak.en_US
dc.identifier.citationErmurat, Y. (2021). Phenomenal Simulation Modelling of X-Ray Diffraction Patterns of Pyrite Ash Bioprocessed in Acetobacter aceti Contained Media. Kemija u industriji: Časopis kemičara i kemijskih inženjera Hrvatske, 70(1-2), 29-38.en_US
dc.identifier.doi10.15255/KUI.2020.032
dc.identifier.endpage38en_US
dc.identifier.issn0022-9830
dc.identifier.issn1334-9090
dc.identifier.issue1-2en_US
dc.identifier.startpage29en_US
dc.identifier.urihttp://dx.doi.org/10.15255/KUI.2020.032
dc.identifier.urihttps://hdl.handle.net/20.500.12491/10930
dc.identifier.volume70en_US
dc.identifier.wosWOS:000616116400004en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.institutionauthorErmurat, Yakup
dc.language.isoenen_US
dc.publisherSociedade Brasileira de Medicina Tropicalen_US
dc.relation.ispartofKemija U Industriji-Journal of Chemists and Chemical Engineersen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectX-Ray Diffraction Patternen_US
dc.subjectCrystallite Size and Strain Broadeningen_US
dc.subjectFWHM Investigationen_US
dc.subjectProfiling Modellingen_US
dc.subjectPattern Simulationen_US
dc.subjectPyrite Ashen_US
dc.titlePhenomenal simulation modelling of X-ray diffraction patterns of pyrite ash bioprocessed in acetobacter aceti contained mediaen_US
dc.typeArticleen_US

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