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; Rahmat Gunawan; Rudi Kartika

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

Authors

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

Keywords:

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

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

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Published

2016-11-08

Issue

Vol. 14 No. 1 (2016)

Section

Artikel

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