KAJIAN PERUBAHAN UKURAN RONGGA ZEOLIT RHO BERDASARKAN VARIASI RASIO Si/Al DAN VARIASI KATION ALKALI MENGGUNAKAN METODE MEKANIKA MOLEKULER

Authors

  • Wahdana Kusuma Sari Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman
  • Rahmat Gunawan Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman
  • Erwin Erwin Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman

Keywords:

Zeolite RHO, Molecular Mechanics Method, Alkaline, Pore Diameters

Abstract

The structure modeling of zeolite RHO with variation of Si/Al ratio (5; 4.33; 3.8; 3.36; 3; 2.69; 2.43; 2.2; 2) and variation of alkaline cations (Li+, Na+, K+, Rb+, Cs+, Fr+) calculated by the molecular mechanics method has been investigated. The result shows that the structure of zeolite RHO with Si/Al ratio 3.36 has the most stable structure with a minimum energy 2652.0308 kcal/mol. The most stable structures of zeolite RHO impregnated with cation is that impregnated with Fr+ (alkaline) with a minimum energy 3006.6587 kcal/mol. The result shows that the zeolite RHO structure with cations Fr+ (alkaline) has the largest pore diameter which potentially has the best adsorption capacity.

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References

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Kolezynski, A., Mikula, A., Krol, M. 2015. Periodic Model Of LTA Framework Containing Various Non-Tetrahedral Cations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 1386-1425. Elsevier B.V. Poland: AGH University Of Science And Technology.

Published

2016-11-08

Issue

Vol. 14 No. 1 (2016)

Section

Artikel

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