Computational understanding of Na-LTA for ethanol–water separation-Reference-Cited by-同舟云学术

Computational understanding of Na-LTA for ethanol–water separation

Published:2024 Issue:5 Volume:26 Page:4505-4510
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wan Zicheng¹²,Zhou Chen²,Lin Yichao²^ORCID,Chen Liang²^ORCID,Tian Ziqi²^ORCID

Affiliation:

1. School of Materials Science and Chemical Engineering, Ningbo University, Ningbo, 313001, P. R. China

2. Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, P. R. China

Abstract

LTA-type molecular sieve has been used for producing high purity ethanol from ethanol–water mixture. DFT simulations reveal the influence of cation distribution on the framework energy and the key role of Na+ migration for ethanol–water separation.

Funder

Youth Innovation Promotion Association of the Chinese Academy of Sciences

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Key Research and Development Program of Zhejiang Province

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP06046B

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5. Polyvinyl alcohol: A review of research status and use of polyvinyl alcohol based nanocomposites