Journal
JOURNAL OF CHEMICAL THERMODYNAMICS
Volume 58, Issue -, Pages 117-128Publisher
ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jct.2012.10.020
Keywords
Enthalpies of formation; Entropies; Specific heats at constant pressure; High-level model chemistries; Biofuels; Biomass conversion
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Funding
- Science Foundation Ireland [08/IN1./I2055]
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The enthalpies of formation, entropies, specific heats at constant pressure and enthalpy functions for over seventy substituted/derivatised furans have been computed using high-level composite model chemistries. One objective was to resolve some existing discrepancies in the experimental chemical literature, another was to provide a comprehensive database of species properties. Some of these compounds have been recently proposed as key species in projected bio-refineries where they are expected to serve as valuable intermediates in the production of platform chemicals and bio-fuels. (C) 2012 Elsevier Ltd. All rights reserved.
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