Abstract
Temperature control is probably the most important factor that influences a chemical reaction yield, in particular when working with strongly exothermic reactions. The oxidation of 2-octanol to 2-octanone is a well-known two phase (liquid-liquid) oxidation reaction, and it suffers of yield loss due to side reactions that lead to further oxidation to a mixture of carboxylic acids. As the reaction is exothermic, controlling the reactor temperature is extremely important for a safe operation. A temperature control naturally induces fluctuations within the system, which can impact the kinetics of the desired reaction. The aim of this work is to investigate the impact of the Proportional-Integral temperature controller parameters on the conversion to 2-octanone. The reaction is carried out in a semi-batch reactor, dosing 2-octanol on a solution of nitric acid. The production of nitrosonium ion is promoted by adding sodium nitrite to the nitric acid. The reaction is carried out with high stirring speed, in order to work under full chemical control regime, avoiding the effect of material diffusion between the two phases. Several simulations were done referring to an Easymax™ 402 Workstation (Mettler Toledo) under an isothermal temperature control mode. Target temperatures were chosen in the -15 - 15 °C range. The proportional parameter was tested in the range of 5-15, and the integral parameter was kept in the range of 60-600 s. Results showed that runaway boundaries are significatively affected by the values of the temperature controller parameters, highlighting how it is fundamental a calorimetric investigation of the process in view of a safe process optimization.
