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Volumn 4, Issue 4, 2012, Pages 504-511
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A first principles-based microkinetic model for the conversion of fructose to 5-hydroxymethylfurfural
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Author keywords
Biomass; Molecular dynamics; Molecular modeling; Quantum chemistry; Reaction mechanisms
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Indexed keywords
5 HYDROXYMETHYL FURFURALS;
ACIDIC WATER;
APPARENT ACTIVATION ENERGY;
ARRHENIUS FREQUENCY FACTOR;
CONCENTRATION PROFILES;
DEGRADATION REACTION;
ELEMENTARY STEPS;
FREE-ENERGY CALCULATIONS;
HYDRIDE TRANSFERS;
KINETIC MODELS;
KINETIC STUDY;
MARCUS THEORY;
MICROKINETIC MODELS;
NMR STUDIES;
RATE-LIMITING STEPS;
REACTION MECHANISM;
REACTION NETWORK;
TEMPERATURE DEPENDENCE;
TIME-SCALES;
WATER REMOVAL;
BIOMASS;
CARBOHYDRATES;
DEHYDRATION;
DEWATERING;
FRUCTOSE;
HYDRIDES;
KINETIC THEORY;
METHANOL;
MOLECULAR DYNAMICS;
MOLECULAR MODELING;
QUANTUM CHEMISTRY;
RATE CONSTANTS;
REACTION KINETICS;
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EID: 84859135718
PISSN: 18673880
EISSN: 18673899
Source Type: Journal
DOI: 10.1002/cctc.201100444 Document Type: Article |
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Times cited : (56)
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References (13)
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