2021
DOI: 10.1002/ceat.202000435
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Thermodynamic Assessment of Chemical Equilibrium for the Synthesis of Solketal in the Liquid Phase

Abstract: The synthesis of solketal is one of the innovative routes of glycerol valorization to value-added products, and the simulation of the process requires the knowledge of thermodynamic properties that are not still available in the literature. In this work, the specific heat capacity as a function of temperature and the enthalpy and entropy of formation of all compounds involved in the reaction were calculated by employing a second-order group-additivity method. Expressions for the enthalpy of reaction and equili… Show more

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Cited by 8 publications
(2 citation statements)
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“…Pseudo-homogeneous Sulfated zirconia [46] Figure 6 shows the evolution of glycerol conversion with time at 60, 80, and 100 • C, where discrete points correspond to experimental data and the solid line represents the LHHW model obtained. As expected, when the temperature increased, the reaction rate became higher and the equilibrium conversion value decreased since this is an exothermic reaction, as previously stated [51]. It can also be observed that the model implemented and the estimated parameters were able to accurately describe this behavior in terms of both the reaction kinetics and the reaction's thermodynamic equilibrium.…”
Section: Kinetic Modelsupporting
confidence: 82%
“…Pseudo-homogeneous Sulfated zirconia [46] Figure 6 shows the evolution of glycerol conversion with time at 60, 80, and 100 • C, where discrete points correspond to experimental data and the solid line represents the LHHW model obtained. As expected, when the temperature increased, the reaction rate became higher and the equilibrium conversion value decreased since this is an exothermic reaction, as previously stated [51]. It can also be observed that the model implemented and the estimated parameters were able to accurately describe this behavior in terms of both the reaction kinetics and the reaction's thermodynamic equilibrium.…”
Section: Kinetic Modelsupporting
confidence: 82%
“…Subsequently, other authors determined values for the thermodynamic reaction parameters by using different acid catalysts, such as Hβ zeolites [40], CT-275 exchange resins [41] and sulfated zirconia [42]. Perez et al carried out a theoretical study of the chemical equilibrium of the synthesis of solketal, taking into account the non-ideality of the liquid phase in order to avoid problems related to transport limitations [43]. All the previously described experiments agree on the exothermic character of the reaction; however, the endergonic or exergonic character of the reaction, depending on the sign of ∆G s , resulted in being different, and this result could be attributed to the consideration of the non-ideality of the liquid phase.…”
Section: Hemiketalmentioning
confidence: 99%