PENGARUH VARIASI RASIO Si/Al STRUKTUR ZEOLIT A DAN VARIASI KATION (Li+, Na+, K+) TERHADAP PERUBAHAN UKURAN WINDOW ZEOLIT A MENGGUNAKAN METODE MEKANIKA MOLEKULER

  • Maria Amelia Kristianingrum Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Mulawarman
  • Rahmat Gunawan Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Mulawarman
  • Rudi Kartika Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Mulawarman

Abstract

The structure modeling of zeolite A using calculation of molecular mechanics methods with variation of Si/Al ratio ( 1; 1,18; 1,4; 1,66 and 2) and variation of cations (Li+, Na+, K+) has been investigated. The result shows that the structure of zeolit A with the ratio of Si/Al = 2, has the most stable structure with a minimum energy 1757,1420 kcal/mol. The most stable zeolite A structure impregnated with cations are determined from the lowest energy which is 1686,8383 kcal/mol for the structure with K+ cation. In addition result shows that the structure with Li+ cation has the largest window diameter, thus affecting the window size of the zeolite A structure of which potentially has the best adsorbent capacity.

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References

[1] Muhlisin, M. Zaenal. 2008. Kajian Pengaruh Variasi Rasio Si/Al dan Variasi Kation Terhadap Perubahan Ukuran Pori Zeolit Y dengan Menggunakan Metode Mekanika Molekuler. Tugas Akhir S-1. Semarang: FMIPA UNNES.
[2] Pranowo, H.D. 2000. Kimia Komputasi. Yogyakarta : FMIPA UGM.
[3] Nanik. 2008. Perubahan Ukuran Rongga Pada Modifikasi Molekul Zeolit ZMS-5 dengan Variasi Rasio Si/Al dan Variasi Kation Menggunakan Metode Mekanika Molekuler. Tugas Akhir S-1. Semarang: FMIPA UNNES.
[4] Prasetya, Agung Tri dkk. 2008. Kajian Pemanasan Terhadap Jumlah Molekul Air Pada Zeolit Y yang Disisipi Kation Mg2+ dan Ca2+ dengan Metode Mekanika Molekuler. Semarang: FMIPA UNNES.
[5] Kolezynski, A dkk. 2015. Periodic Model of LTA Framework Containing Various Non-Tetrahedral Cations. Poland: Department of Silicate Chemistry and Macromolecular Compounds, Faculty of Materials Science and Ceramics, AGH University of Science and Technology, 30 Mickiewicza Av., 30-059 Krakow.
[6] Companion, Andrey L. 1991. Ikatan Kimia. Bandung: ITB.
Published
2016-11-08
How to Cite
KRISTIANINGRUM, Maria Amelia; GUNAWAN, Rahmat; KARTIKA, Rudi. PENGARUH VARIASI RASIO Si/Al STRUKTUR ZEOLIT A DAN VARIASI KATION (Li+, Na+, K+) TERHADAP PERUBAHAN UKURAN WINDOW ZEOLIT A MENGGUNAKAN METODE MEKANIKA MOLEKULER. JURNAL KIMIA MULAWARMAN, [S.l.], v. 14, n. 1, nov. 2016. ISSN 2476-9258. Available at: <https://jurnal.kimia.fmipa.unmul.ac.id/index.php/JKM/article/view/213>. Date accessed: 23 july 2024.
Section
Artikel

Keywords

Methods of Molecular Mechanics, Zeolite A, Alkaline Metal, Window Size.