SIMULASI POLA XRD DAN VISUALISASI STRUKTUR KRISTAL MATERIAL LARUTAN PADAT CaXMg1-XO
Abstract
Larutan padat adalah suatu campuran dua atau lebih material dalam keadaan padat yang memiliki fase kristal yang sama. Pada penelitian ini larutan padat CaO/MgO (CaxMg1-xO) disimulasikan dengan perangkat lunak VESTA untuk mendapatkan model visualisasi struktur kristal dan hasil simulasi pola XRD. Larutan padat CaxMg1-xO divariasikan sesuai dengan nilai faktor x dari 0.1 sampai dengan 0.9. Penelitian ini berhasil menvisualisasikan model struktur kristal CaxMg1-xO dengan menunjukkan probabilitas keberadaan atom Ca dan atom Mg berada pada posisi yang sama. Simulasi pola XRD juga berhasil dilakukan dan menunjukkan pola perubahan yang sesuai dengan hasil eksperimen penelitian sebelumnya.
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[3]. Johannes AZ, Pingak RK. 2021. A comprehensive XRD analysis of CaCO3 from Tablolong Beach sand as a potential smart material resource. AIP Conference Proceedings. 2370(1): 020018.
[4]. Rodríguez-Kessler PL, Rodríguez-Domínguez AR, Alonso-Dávila P, Navarro-Santos P, Muñoz-Castro A. 2022. Structural and electronic properties for Be-doped Ptn (n = 1–12) clusters obtained by DFT calculations. Physical Chemistry Chemical Physics. 24(13): 7856.
[5]. Alioui O et al. 2022. Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review. Catalysis Reviews.
[6]. Johannes AZ. 2018. Simulasi Perubahan Densitas Muatan Adsorpsi Atom Hidrogen-Grafena Dengan Teori Fungsi Kerapatan. Jurnal Fisika : Fisika Sains dan Aplikasinya. 3(3): 179
[7]. Restiana S, Rini AS. 2018. Visualisasi Struktur Kristal Keramik Perovskite Menggunakan VESTA. Komunikasi Fisika Indonesia. 15(1): 46.
[8]. Mahdavi V, Abedini F. 2015. Preparation and Characterization of CaO/MgO Catalyst and Its Application for Transesterification of n-Butyl Acetate with Methanol. Chemical Engineering Communications . 203(1): 114.
[9]. Sudsakorn K, Saiwuttikul S, Palitsakun S, Seubsai A, Limtrakul J. 2017. Biodiesel production from Jatropha Curcas oil using strontium-doped CaO/MgO catalyst. Journal of Environmental Chemical Engineering. 5(3): 2845.
[10]. Rabie AM, Shaban M, Abukhadra MR, Hosny R, Ahmed SA, Negm NA. 2019. Diatomite supported by CaO/MgO nanocomposite as heterogeneous catalyst for biodiesel production from waste cooking oil. Journal of Molecular Liquids. 279: 224
[11]. Sona Filho CR, Machado de Souza Carvalho F, Chaves Guedes-Silva C. 2022. Mechanical properties and in vitro bioactivity of silicon nitride ceramics with SiO2, CaO, and MgO additions. Journal of Biomedical Materials Research Part B: Applied Biomaterials. 110(3): 507.
[12] Yamagata C, Leme DR, Rodrigues VG, Eretides GT, Dorion Rodas AC. 2022. Three routes for the synthesis of the bioceramic powder of the CaO-MgO-SiO2 system. Ceramics International Communications. 48(7): 9681
[13]. Gražulis S et al. 2012. Crystallography Open Database (COD): an open-access collection of crystal structures and platform for world-wide collaboration. Nucleic Acids Research. 40(D1): D420
[14]. COD. Crystallography Open Database: Information card for entry 1011116. http://www.crystallography.net/cod/1011116.html?cif=1011116.
[15]. COD. Crystallography Open Database: Information card for entry 1011095. http://www.crystallography.net/cod/1011095.html
[16]. Momma K, Izumi F. 2008. VESTA: A three-dimensional visualization system for electronic and structural analysis. Journal of Applied Crystallography. 41(3): 653.
[17]. Rini AS, Restiana S. 2019. Diffraction Pattern Simulation of Crystal Structure towards the Ionic Radius Changes Via Vesta Program. Journal of Technomaterial Physics. 1(2): 132.
[18]. Mahmood NB, Saeed FR, Gbashi KR, Hamodi A, Jaffar ZM. 2021. Structural properties of CoxCu1-xFe2O4solid solution. Journal of the Mechanical Behavior of Materials. 30(1): 220.
[19]. Anon. Ionic radius - Wikipedia. https://en.wikipedia.org/wiki/Ionic_radius.
Published
2023-07-16
How to Cite
JOHANNES, Albert Zicko et al.
SIMULASI POLA XRD DAN VISUALISASI STRUKTUR KRISTAL MATERIAL LARUTAN PADAT CaXMg1-XO.
Jurnal Teknik Mesin, [S.l.], v. 5, n. 1, p. 18-22, july 2023.
ISSN 2656-422X.
Available at: <http://jurnal.pnk.ac.id/index.php/JTM/article/view/862>. Date accessed: 03 july 2024.
doi: https://doi.org/10.32511/jtm.v5i1.862.
Section
Articles
This work is licensed under a Creative Commons Attribution 4.0 International License.
