An overview and analysis of the thermodynamic and kinetic models used in the production of 5-hydroxymethylfurfural and furfural

Soukup-Carne, Dominik; Fan, Xiaolei; Esteban, Jesús

doi:10.1016/j.cej.2022.136313

Cited by 28 publications

(22 citation statements)

References 149 publications

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“…The kinetic parameters were calculated by nonlinear least-squares multivariable regression. 54 Therefore, the net rates of each component are given by the following expressions:…”

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

“…Similar trends can be found in the literature for different Lewis/Brønsted acid catalysts. 54,55 The k1 constant is higher than the k6, k7, and k8 constants, implying that the direct formation of FA from glucose is faster than fructose, levoglucosan, and HMF when Brønsted or tandem Brønsted/Lewis acid sites are present (Table 4). The higher reaction temperature resulted in a faster reaction rate, according to the Arrhenius equation for the carbohydrate transformation of Al-PSCA in THF-H 2 O.…”

Section: Papermentioning

confidence: 99%

“…9), which is lower than the activation energies of AlCl 3 , H 2 SO 4 , and CrCl 3 -HCl which catalyze the conversion of glucose. 27,54,56 It has been proved that Al-PSCA has a superior catalytic activity of bifunctional active sites to decrease the energy barrier and promote glucose conversion. The activation energies of fructose and levoglucosan conversion are 30.4 and 58.8 kJ, respectively, which contributed to the faster reaction rate.…”

Section: Papermentioning

confidence: 99%

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Aluminum ion intercalation in mesoporous multilayer carbocatalysts promotes the conversion of glucose to 5-hydroxymethylfurfural

Li,

Jiang,

Feng

et al. 2024

Dalton Trans.

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“…The kinetic parameters were calculated by nonlinear least-squares multivariable regression. 54 Therefore, the net rates of each component are given by the following expressions:…”

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Papermentioning

confidence: 99%

Section: Papermentioning

confidence: 99%

See 2 more Smart Citations

Aluminum ion intercalation in mesoporous multilayer carbocatalysts promotes the conversion of glucose to 5-hydroxymethylfurfural

Li,

Jiang,

Feng

et al. 2024

Dalton Trans.

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show abstract

“…Several groups have contributed to modeling the reaction kinetics of the sulfuric acid-catalyzed dehydration of fructose to 5-HMF. ,, A broader overview is given in the review by Soukup-Carne et al The research performed has been carried out at different fructose concentrations and different reaction temperature ranges. Moreover, multiple possible reaction pathways have been proposed.…”

Section: Introductionmentioning

confidence: 99%

Beyond Partition Coefficients: Model-Based Solvent Screening in Extractive-Reaction Processes Considering Fluid Dynamics and Mass Transfer Limitations

Roth

Dunkel

Kampwerth

et al. 2022

Ind. Eng. Chem. Res.

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In extractive-reaction processes, product formation and separation are integrated to increase the overall process performance. The design of an efficient extractive-reaction process requires optimal solvent selection. However, nowadays the solvent selection is still based on simple performance indicators such as the partition coefficient. Thereby, the influence of fluid dynamics and mass transfer on the overall reaction performance is not considered. To overcome this drawback, we develop a modelbased approach to screen multiple solvents. The developed model requires solely solvent property data, which were generated by COSMO-RS. By minimizing the production costs, optimal operating conditions and process design are determined for each solvent. Thereby, over 100 solvents are screened and evaluated at the example process of the biphasic production of 5-hydroxymethylfurfural. It is shown that there is a unique optimal process for each solvent. Moreover, fluid dynamics and mass transfer influence the optimal extractive-reaction process design and affect the solvent choice.

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Model‐Assisted Optimization of Xylose, Arabinose, Glucose, Mannose, Galactose and Real Hemicellulose Streams Dehydration To (Hydroxymethyl)Furfural and Levulinic Acid

Jakob,

Likozar,

Grilc

2024

ChemSusChem

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Conversion of hemicellulose streams and the constituent monosaccharides, xylose, arabinose, glucose, mannose, and galactose, was conducted to produce value‐added chemicals, including furfural, hydroxymethylfurfural (HMF), levulinic acid and anhydrosugars. The study aimed at developing a kinetic model relevant for direct post‐Organosolv hemicellulose conversion. Monosaccharides served as a tool to in detail describe the kinetic behavior and segregate contribution of hydrothermal decomposition and acid catalyzed dehydration at the temperature range of 120‐190 °C. Catalyst free aqueous media demonstrated enhanced formation of furanics, while elevated temperatures led to significant saccharide isomerization. The introduction of sulfuric and formic acids maximized furfural yield and significantly reduced HMF concentration by facilitating its rehydration into levulinic acid (46 mol%). Formic acid additionally substantially enhanced formation of anhydrosaccharides. An excellent correlation between modeled and experimental data enabled process optimization to maximize furanic yield in two distinct hemicellulose streams. Sulfuric acid‐containing hemicellulose stream achieved the highest furfural yield after 30 minutes at 238 °C, primarily due to the high Ea for pentose dehydration (150 – 160 kJmol−1). Contrarily, formic acid‐containing hemicellulose stream enabled maximal furfural yield at more moderate temperature and extended reaction time due to its lower Ea for the same reaction step (115 – 125 kJmol−1).

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An overview and analysis of the thermodynamic and kinetic models used in the production of 5-hydroxymethylfurfural and furfural

Cited by 28 publications

References 149 publications

Aluminum ion intercalation in mesoporous multilayer carbocatalysts promotes the conversion of glucose to 5-hydroxymethylfurfural

Aluminum ion intercalation in mesoporous multilayer carbocatalysts promotes the conversion of glucose to 5-hydroxymethylfurfural

Beyond Partition Coefficients: Model-Based Solvent Screening in Extractive-Reaction Processes Considering Fluid Dynamics and Mass Transfer Limitations

Model‐Assisted Optimization of Xylose, Arabinose, Glucose, Mannose, Galactose and Real Hemicellulose Streams Dehydration To (Hydroxymethyl)Furfural and Levulinic Acid

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