Simulation of adsorption and separation of ethanol-water mixture with zeolite and carbon nanotube

Linghong Lu; Qing Shao; Liangliang Huang; Xiaohua Lu

doi:10.1016/j.fluid.2007.07.057

Simulation of adsorption and separation of ethanol-water mixture with zeolite and carbon nanotube

Linghong Lu, Qing Shao, Liangliang Huang, Xiaohua Lu

Chemical and Materials Engineering

Research output: Contribution to journal › Article › peer-review

50 Scopus citations

Abstract

The grand canonical Monte Carlo (GCMC) simulation study on the separation performance of zeolites (MFI, MOR, CFI and DON) and carbon nanotubes (CNTs) to ethanol-water mixtures is reported. The calculation is performed with different bulk percentage under the ambient temperature and pressure. The results show zeolites prefer water to ethanol and could be used for ethanol dehydration. Only water can enter CNT55, but for other CNTs, because the CNT is more hydrophobic than zeolite, the selectivity of CNTs to ethanol is larger than 1, and CNT77 is very fit to condense dilute ethanol solution. CNT77 show excellent performance for its special nanoscale. It prefers ethanol to water in all fraction range.

Original language	English
Pages (from-to)	191-198
Number of pages	8
Journal	Fluid Phase Equilibria
Volume	261
Issue number	1-2
DOIs	https://doi.org/10.1016/j.fluid.2007.07.057
State	Published - Dec 1 2007

Bibliographical note

Funding Information:
The present work was supported by the Joint Research Fund for Young Scholars in Hong Kong and Abroad (no. 20428606), the National Natural Science Foundation of China (grant nos. 20246002 and 20236010), National High Technology Research and Development Program of China (no. 2003CB615700), the Key Science Foundation of Jiangsu Province, China (BK 2004215). The authors also acknowledge computer time provided by the College of Computer Engineering and Science, Shanghai University.

Funding

The present work was supported by the Joint Research Fund for Young Scholars in Hong Kong and Abroad (no. 20428606), the National Natural Science Foundation of China (grant nos. 20246002 and 20236010), National High Technology Research and Development Program of China (no. 2003CB615700), the Key Science Foundation of Jiangsu Province, China (BK 2004215). The authors also acknowledge computer time provided by the College of Computer Engineering and Science, Shanghai University.

Funders	Funder number
Key Science Foundation of Jiangsu Province	BK 2004215
National High Technology Research and Development Program of China	2003CB615700
National Natural Science Foundation of China (NSFC)	20246002, 20236010

Keywords

Carbon nanotube
Ethanol-water
Separation
Simulation

ASJC Scopus subject areas

General Chemical Engineering
General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.fluid.2007.07.057

Cite this

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title = "Simulation of adsorption and separation of ethanol-water mixture with zeolite and carbon nanotube",

abstract = "The grand canonical Monte Carlo (GCMC) simulation study on the separation performance of zeolites (MFI, MOR, CFI and DON) and carbon nanotubes (CNTs) to ethanol-water mixtures is reported. The calculation is performed with different bulk percentage under the ambient temperature and pressure. The results show zeolites prefer water to ethanol and could be used for ethanol dehydration. Only water can enter CNT55, but for other CNTs, because the CNT is more hydrophobic than zeolite, the selectivity of CNTs to ethanol is larger than 1, and CNT77 is very fit to condense dilute ethanol solution. CNT77 show excellent performance for its special nanoscale. It prefers ethanol to water in all fraction range.",

keywords = "Carbon nanotube, Ethanol-water, Separation, Simulation",

author = "Linghong Lu and Qing Shao and Liangliang Huang and Xiaohua Lu",

note = "Funding Information: The present work was supported by the Joint Research Fund for Young Scholars in Hong Kong and Abroad (no. 20428606), the National Natural Science Foundation of China (grant nos. 20246002 and 20236010), National High Technology Research and Development Program of China (no. 2003CB615700), the Key Science Foundation of Jiangsu Province, China (BK 2004215). The authors also acknowledge computer time provided by the College of Computer Engineering and Science, Shanghai University.",

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AU - Lu, Linghong

AU - Shao, Qing

AU - Huang, Liangliang

AU - Lu, Xiaohua

N1 - Funding Information: The present work was supported by the Joint Research Fund for Young Scholars in Hong Kong and Abroad (no. 20428606), the National Natural Science Foundation of China (grant nos. 20246002 and 20236010), National High Technology Research and Development Program of China (no. 2003CB615700), the Key Science Foundation of Jiangsu Province, China (BK 2004215). The authors also acknowledge computer time provided by the College of Computer Engineering and Science, Shanghai University.

PY - 2007/12/1

Y1 - 2007/12/1

N2 - The grand canonical Monte Carlo (GCMC) simulation study on the separation performance of zeolites (MFI, MOR, CFI and DON) and carbon nanotubes (CNTs) to ethanol-water mixtures is reported. The calculation is performed with different bulk percentage under the ambient temperature and pressure. The results show zeolites prefer water to ethanol and could be used for ethanol dehydration. Only water can enter CNT55, but for other CNTs, because the CNT is more hydrophobic than zeolite, the selectivity of CNTs to ethanol is larger than 1, and CNT77 is very fit to condense dilute ethanol solution. CNT77 show excellent performance for its special nanoscale. It prefers ethanol to water in all fraction range.

AB - The grand canonical Monte Carlo (GCMC) simulation study on the separation performance of zeolites (MFI, MOR, CFI and DON) and carbon nanotubes (CNTs) to ethanol-water mixtures is reported. The calculation is performed with different bulk percentage under the ambient temperature and pressure. The results show zeolites prefer water to ethanol and could be used for ethanol dehydration. Only water can enter CNT55, but for other CNTs, because the CNT is more hydrophobic than zeolite, the selectivity of CNTs to ethanol is larger than 1, and CNT77 is very fit to condense dilute ethanol solution. CNT77 show excellent performance for its special nanoscale. It prefers ethanol to water in all fraction range.

KW - Carbon nanotube

KW - Ethanol-water

KW - Separation

KW - Simulation

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Simulation of adsorption and separation of ethanol-water mixture with zeolite and carbon nanotube

Abstract

Bibliographical note

Funding

Keywords

ASJC Scopus subject areas

Access to Document

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