Evaluation of kinetics and thermodynamic parameters for simulation of palm oil biodiesel production

Computer simulation is a powerful tool in technical, economic, and environmental assessments of processes. Some commercial simulators are available with a friendly environment and an extensive database. For some compounds, primarily biocompounds, gaps still exist in terms of their properties. In this case, predictive models are necessary, but their results are not always reliable. Hence, thermodynamic and kinetic parameters essential for the simulation of palm oil biodiesel production processes are evaluated in Aspen Plus (R). Sets of parameters are tested in the prediction of liquid-liquid equilibrium, vapor-liquid equilibrium, and vapor pressure of fatty compounds. The sets of parameters previously adjusted to experimental data containing similar fatty compounds presented better results. Furthermore, kinetic parameters from literature are used in the simulation of homogeneous alkaline transesterification for palm oil biodiesel production, which yielded a good agreement between experimental results and those calculated by the simulator. It is concluded that a prior evaluation of parameters is necessary and mandatory to obtain accurate computer simulation results. (C) 2020 Elsevier B.V. All rights reserved.