ZEOLIT-LTA（线型A）与碱作用（LI+，NA+，K+）相互作用的计算研究机械分子的适用方法

Jurnal Kimia Mulawarman Pub Date : 2021-11-30 DOI:10.30872/jkm.v19i1.1012

Audi Zahid Iswaradi, Rahmat Gunawan, Noor Hindryawati

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引用次数: 0

摘要

用机械分子方法计算了沸石LTA（Linde A型）与碱性阳离子（Li+、Na+、K+）的相互作用。使用Hyperchem 7.0和机械分子方法对数据进行计算处理。研究结果表明，Si/Al比为24286的LTA沸石具有最低的最小能量。此外，阳离子Li+的浸渍提高了结构稳定性，阳离子Na+的浸渍在沸石LTA上具有最大的直径窗口。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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STUDI KOMPUTASI INTERAKSI ZEOLIT LTA (LINDE TYPE A) DENGAN KATION ALKALI (LI+, NA+, K+) MENGGUNAKAN METODE MEKANIKA MOLEKULER

A study of computation on zeolite LTA (Linde Type A) interaction with alkaline cation (Li+, Na+, K+) using the mechanical molecular method was conducted. Data processing was conducted computationally using Hyperchem 7.0 with the mechanical molecular method. The result of the study showed zeolite LTA with ratio Si/Al 2,4286 has the lowest minimum energy. Furthermore, impregnation by cation Li+ increases structure stability, and impregnation by cation Na+ has the largest diameter window on Zeolite LTA.

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Jurnal Kimia Mulawarman

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16 weeks