Catalytic Conversion of Xylose to Furfural by p-Toluenesulfonic Acid (pTSA) and Chlorides: Process Optimization and Kinetic Modeling

Abstract

Furfural is one of the most promising precursor chemicals with an extended range of downstream derivatives. In this work, conversion of xylose to produce furfural was performed by employing p-toluenesulfonic acid (pTSA) as a catalyst in DMSO medium at moderate temperature and atmospheric pressure. The production process was optimized based on kinetic modeling of xylose conversion to furfural alongwith simultaneous formation of humin from xylose and furfural. The synergetic effects of organic acids and Lewis acids were investigated. Results showed that the catalyst pTSA-CrCl3·6H2O was a promising combined catalyst due to the high furfural yield (53.10%) at a moderate temperature of 120 °C. Observed kinetic modeling illustrated that the condensation of furfural in the DMSO solvent medium actually could be neglected. The established model was found to be satisfactory and could be well applied for process simulation and optimization with adequate accuracy. The estimated values of activation energies for xylose dehydration, condensation of xylose, and furfural to humin were 81.80, 66.50, and 93.02 kJ/mol, respectively.

Kinetic model for the dehydration of xylose to furfural from a boronate diester precursor

“…15,17–28 The need to understand the mechanism of sugar dehydration motivates the development of kinetic models that are valid at various reaction conditions. 15–28 For example, by kinetic modeling and experimental evidence, Ershova et al were able to rule out xylulose as a relevant intermediate, relegating it along a parallel reaction pathway. 17…”

“…18–21,26,28 There are some instances in which the kinetics of the xylose dehydration in aqueous–organic monophasic systems ( e.g. , water–DMSO mixtures) has been modeled, 23,27,28,31 however, with no particular attention to the solvent effect on the kinetics. 28,30…”

“…, water–DMSO mixtures) has been modeled, 23,27,28,31 however, with no particular attention to the solvent effect on the kinetics. 28,30…”

“…15,16 Several intermediate steps in the dehydration process have been hypothesized, such as the formation of partial dehydration products, the isomerization to xylulose, and ring opening and closing. 15,[17][18][19][20][21][22][23][24][25][26][27][28] The need to understand the mechanism of sugar dehydration motivates the development of kinetic models that are valid at various reaction conditions. [15][16][17][18][19][20][21][22][23][24][25][26][27][28] For example, by kinetic modeling and experimental evidence, Ershova et al were able to rule out xylulose as a relevant intermediate, relegating it along a parallel reaction pathway.…”

Numerical Simulation for Bioconvection of Unsteady Stagnation Point Flow of Oldroyd-B Nanofluid with Activation Energy and Temperature-Based Thermal Conductivity Past a Stretching Disk

“…Khan et al [30] scrutinized the properties of a magnetic modified Newtonian fluid through bioconvection and chemically reactive organisms. Several investigators researched the bioconvection phenomenon, see [31][32][33][34][35][36][37]. Song et al [38] conducted the analysis of the bioconvective phenomenon in micropolar nano liquid over the off-centered disk.…”