期刊
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
卷 18, 期 6, 页码 1893-1901出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.jiec.2012.04.019
关键词
Hot compressed water; Phosphoric acid; 5-Hydroxymethylfurfural; Density functional theory; Isomerization; Enediol intermediate
资金
- National Nanotechnology Center (NANOTEC)
- Thailand Graduate Institute of Science and Technology (TGIST)
- National Science and Technology Development Agency
The conversion of glucose, fructose, and cellulose to 5-hydroxymethylfurfural (HMF) was studied under hot compressed water. The effect of acid (H3PO4) and base (NaOH) catalysts was examined by combining experimental and theoretical studies. The experimental results showed that formation of HMF from fructose is more facile than that from glucose and cellulose. The density functional calculations explained the effect of catalysts on reaction mechanism and energy profile of glucose transformation. The ring-opening of beta-glucose is predicted as the rate-limiting step in non-catalytic system, while the tautomerization or the hydride-shift is the rate-limiting step in the basic and acidic conditions, respectively. (C) 2012 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.
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