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Equilibrium of the levulinic acid esterification with methanol, ethanol, and 1-butanol was studied in a broad temperature range (323 K–473 K) for reactions catalyzed by the enzyme Novozym 435 as well as for uncatalysed reaction systems. Thermodynamic equilibrium constants were derived with help of activity coefficients of reaction participants, which were predicted with the equation of state PC-SAFT...
In this work we applied experimental and theoretical thermodynamics to methyl ferulate hydrolysis, a model biological reaction, in order to calculate the equilibrium constant and reaction enthalpy. In the first step, reaction data was collected. Temperature-dependent equilibrium concentrations of methyl ferulate hydrolysis have been measured. These were combined with activity coefficients predicted...
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