Methylation of 2-methylnaphthalene with methanol to 2,6-dimethylnaphthalene over HZSM-5 modified by NH 4 F and SrO

Chen Zhang, Xin Wen Guo, Ya Nan Wang, Xiang Sheng Wang, Chunshan Song

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The methylation of 2-methylnaphthalene (2-MN) into 2,6-dimethylnaphthalene (2,6-DMN) was investigated over the solid acid catalysts. The results show that HZSM-5 modified by NH 4 F has better catalytic performance than parent HZSM-5 due to the decrease in the acidity. When NH 4 F/HZSM-5 is further modified by SrO, its catalytic activity decreases due to the decrease in the total acid amount and acidic strength. As a result, the comprehensive modification of NH 4 F and SrO leads to the increase in the 2,6-DMN selectivity (2,6-DMN to DMN), up to 64.8% when 2-MN conversion is 10%. We calculated the ESP charge by density functional theory and the results show that the 6-position in 2-MN has higher ESP charge value than 7-position. The formation of 2,6-DMN is favored energetically as compared to that for 2,7-DMN. This suggests during the alkylation of 2-MN inside the ZSM-5 channel, the formation of 2,6-DMN is favored electronically than that of 2,7-DMN. Hence, lowering the acidity of catalyst is a key factor to obtain high selectivity of 2,6-DMN.

Original languageEnglish (US)
Pages (from-to)1281-1284
Number of pages4
JournalChinese Chemical Letters
Volume18
Issue number10
DOIs
StatePublished - Oct 1 2007

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Methylation
Methanol
Acidity
Catalysts
Acids
Catalyst selectivity
Alkylation
Density functional theory
2,6-dimethylnaphthalene
2-methylnaphthalene
Catalyst activity

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Zhang, Chen ; Guo, Xin Wen ; Wang, Ya Nan ; Wang, Xiang Sheng ; Song, Chunshan. / Methylation of 2-methylnaphthalene with methanol to 2,6-dimethylnaphthalene over HZSM-5 modified by NH 4 F and SrO In: Chinese Chemical Letters. 2007 ; Vol. 18, No. 10. pp. 1281-1284.
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abstract = "The methylation of 2-methylnaphthalene (2-MN) into 2,6-dimethylnaphthalene (2,6-DMN) was investigated over the solid acid catalysts. The results show that HZSM-5 modified by NH 4 F has better catalytic performance than parent HZSM-5 due to the decrease in the acidity. When NH 4 F/HZSM-5 is further modified by SrO, its catalytic activity decreases due to the decrease in the total acid amount and acidic strength. As a result, the comprehensive modification of NH 4 F and SrO leads to the increase in the 2,6-DMN selectivity (2,6-DMN to DMN), up to 64.8{\%} when 2-MN conversion is 10{\%}. We calculated the ESP charge by density functional theory and the results show that the 6-position in 2-MN has higher ESP charge value than 7-position. The formation of 2,6-DMN is favored energetically as compared to that for 2,7-DMN. This suggests during the alkylation of 2-MN inside the ZSM-5 channel, the formation of 2,6-DMN is favored electronically than that of 2,7-DMN. Hence, lowering the acidity of catalyst is a key factor to obtain high selectivity of 2,6-DMN.",
author = "Chen Zhang and Guo, {Xin Wen} and Wang, {Ya Nan} and Wang, {Xiang Sheng} and Chunshan Song",
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Methylation of 2-methylnaphthalene with methanol to 2,6-dimethylnaphthalene over HZSM-5 modified by NH 4 F and SrO . / Zhang, Chen; Guo, Xin Wen; Wang, Ya Nan; Wang, Xiang Sheng; Song, Chunshan.

In: Chinese Chemical Letters, Vol. 18, No. 10, 01.10.2007, p. 1281-1284.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Methylation of 2-methylnaphthalene with methanol to 2,6-dimethylnaphthalene over HZSM-5 modified by NH 4 F and SrO

AU - Zhang, Chen

AU - Guo, Xin Wen

AU - Wang, Ya Nan

AU - Wang, Xiang Sheng

AU - Song, Chunshan

PY - 2007/10/1

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N2 - The methylation of 2-methylnaphthalene (2-MN) into 2,6-dimethylnaphthalene (2,6-DMN) was investigated over the solid acid catalysts. The results show that HZSM-5 modified by NH 4 F has better catalytic performance than parent HZSM-5 due to the decrease in the acidity. When NH 4 F/HZSM-5 is further modified by SrO, its catalytic activity decreases due to the decrease in the total acid amount and acidic strength. As a result, the comprehensive modification of NH 4 F and SrO leads to the increase in the 2,6-DMN selectivity (2,6-DMN to DMN), up to 64.8% when 2-MN conversion is 10%. We calculated the ESP charge by density functional theory and the results show that the 6-position in 2-MN has higher ESP charge value than 7-position. The formation of 2,6-DMN is favored energetically as compared to that for 2,7-DMN. This suggests during the alkylation of 2-MN inside the ZSM-5 channel, the formation of 2,6-DMN is favored electronically than that of 2,7-DMN. Hence, lowering the acidity of catalyst is a key factor to obtain high selectivity of 2,6-DMN.

AB - The methylation of 2-methylnaphthalene (2-MN) into 2,6-dimethylnaphthalene (2,6-DMN) was investigated over the solid acid catalysts. The results show that HZSM-5 modified by NH 4 F has better catalytic performance than parent HZSM-5 due to the decrease in the acidity. When NH 4 F/HZSM-5 is further modified by SrO, its catalytic activity decreases due to the decrease in the total acid amount and acidic strength. As a result, the comprehensive modification of NH 4 F and SrO leads to the increase in the 2,6-DMN selectivity (2,6-DMN to DMN), up to 64.8% when 2-MN conversion is 10%. We calculated the ESP charge by density functional theory and the results show that the 6-position in 2-MN has higher ESP charge value than 7-position. The formation of 2,6-DMN is favored energetically as compared to that for 2,7-DMN. This suggests during the alkylation of 2-MN inside the ZSM-5 channel, the formation of 2,6-DMN is favored electronically than that of 2,7-DMN. Hence, lowering the acidity of catalyst is a key factor to obtain high selectivity of 2,6-DMN.

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