Liquid−liquid equilibrium (LLE) data of the solubility curves and tie-line compositions have been determined for mixtures of (water + 3-hydroxy-2-butanone +1-butanol) at 298.15 K, 308.15 K, and 318.15 K and 101.3 kPa. Distribution coefficients and separation factors have been evaluated for the immiscibility region. The reliability of the experimental tie-lines has been confirmed by using Othmer−Tobias correlation. The LLE data of the ternary systems have been predicted by the UNIFAC method.
Via coupling the mass balance, energy balance, and power law kinetic equations, a tanks‐in‐series reactor model is established to describe the performance of the industrial in‐series stirred‐tank oxidation reactors for adipic acid (AA) synthesis. Industrial‐scale experiments are carried out for model verification, and the satisfactory agreement between the experimental results and calculated data indicates the validity of model for the investigation of the reactor behaviors. First, single tank research is taken, and the results illustrate that the most sensitive parameter in the single reactor is the coolant temperature. Second, the five in‐series stirred‐tank reactors are selected according to the calculated intermediates conversion over the total tank number from 1 to 5. The optimal ketone–alcohol (K/A) oil feed distribution is found to be 1.7, 1.4, 1.1, 0.6, and 0.4 t/h. The corresponding reaction temperature distribution is 343.15, 346.15, 349.15, 351.15, and 353.15 K. The average residence time distribution is found to be 7.02, 6.61, 6.37, 5.80, and 5.63 min. The total yield of AA could reach up to 97.30% under the optimal conditions.
Vapor-liquid-liquid equilibria (VLLE) data were determined for the ternary system 1-butanol þ water þ 2,3-butanediol at 101.3 kPa. A binary heterogeneous minimum boiling azeotrope was found at 365.95 K with mass fractions of 0.526 and 0.474 for 1-butanol and water, respectively. A modified UNIQUAC model was used to predict VLLE by using experimental data, including VLE of 1-butanol þ 2,3-butanediol, VLE of water þ 2,3-butanediol, LLE of 1-butanol þ water, and one LLE tie-line of 1-butanol þ water þ 2,3-butanediol. The experimental data were compared with the calculated values. The absolute average relative deviations (AARD) are 1.65%, 1.72%, and 2.22% for organic liquid phase, aqueous liquid phase, and vapor phase, respectively. It demonstrates an appropriate fit of the modified UNIQUAC model.
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