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

Producción científica: Article › revisión exhaustiva

51 Citas (Scopus)

Resumen

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.

Idioma original	English
Páginas (desde-hasta)	191-198
Número de páginas	8
Publicación	Fluid Phase Equilibria
Volumen	261
N.º	1-2
DOI	https://doi.org/10.1016/j.fluid.2007.07.057
Estado	Published - dic 1 2007

Nota bibliográfica

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.

Financiación

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.

Financiadores	Número del financiador
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

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

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@article{e0c9a30efc864d2298a651027a8c9b83,

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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doi = "10.1016/j.fluid.2007.07.057",

language = "English",

volume = "261",

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T1 - Simulation of adsorption and separation of ethanol-water mixture with zeolite and carbon nanotube

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

UR - https://www.scopus.com/pages/publications/35348895897

UR - https://www.scopus.com/pages/publications/35348895897#tab=citedBy

U2 - 10.1016/j.fluid.2007.07.057

DO - 10.1016/j.fluid.2007.07.057

M3 - Article

AN - SCOPUS:35348895897

SN - 0378-3812

VL - 261

SP - 191

EP - 198

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

IS - 1-2

ER -

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

Resumen

Nota bibliográfica

Financiación

ASJC Scopus subject areas

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