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5. A molecular mechanism of dissolution and absorption in alkaline treatment of zeolite

A molecular mechanism of dissolution and absorption in alkaline treatment of zeolite

来源 :1st International Conference on Computational Design and Sim | 被引量 : 0次 | 上传用户：ljiand

【摘 要】

：

With the aim to optimize alkaline treatment of zeolites to obtain hierarchical mesoporous zeolites, dissolution and absorption mechanisms relevant to mesopore formation were investigated at an atomist

【作 者】

：

Yi Liu Dong Zhai Liang Zhao Jingcheng Xu Baojian Shen Jinsen Gao 

【机 构】

：

Department of physics and Materials Genome Institute, Shanghai University, 99 Shangda Road,Shanghai,

【出 处】

：

1st International Conference on Computational Design and Sim

【发表日期】

：

2015年9期

【关键词】

：

Zeolite Mesoporous Formation Dissolution Absorption Density Functional Theory Mo 

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　　With the aim to optimize alkaline treatment of zeolites to obtain hierarchical mesoporous zeolites, dissolution and absorption mechanisms relevant to mesopore formation were investigated at an atomistic scale by combining density functional calculations and molecular dynamics simulations.

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