Development of a Molecular Kinetic Model and Tuning of its Required Kinetic Parameters for Thermal Cracking

Thermal cracking of light hydrocarbons was studied in which a molecular kinetic model for light hydrocarbons, and their mixture was developed. Required kinetic parameters were calculated and tuned by error minimization between several real reactors measured data and results of their simulation. Reactors were simulated as a one-dimensional plug flow reactor. Simulation consists of a reactor model and heat transfer from an external hot surface of the reactor. Nonlinear regression method was used to minimize the errors of simulation results and optimization of the kinetic model parameters. The kinetic and reactor models were verified by comparing their results with the measured data of several real reactors. Required experimental data were collected through the literature survey. Accuracy of the simulation results showed that the developed kinetic model and the reactor simulation can be applied for the operational analysis of cracking furnaces, operating parameters optimization, and industrial plant profitability improvement.