Thermodynamic Modeling of the High Temperature Shift Converter Reactor Using Minimization of Gibbs Free Energy

The equilibrium chemical reactions taken place in a converter reactor of the Khorasan Petrochemical Ammonia plant was studied using the minimization of Gibbs free energy method. In the minimization of the Gibbs free energy function the Davidon– Fletcher–Powell (DFP) optimization procedure using the penalty terms in the well-defined objective function was used. It should be noted that in the DFP procedure along with the corresponding penalty terms the Hessian matrices for the composition of constituents in the Converter reactor can be excluded. This, in fact, can be considered as the main advantage of the DFP optimization procedure. Also the effect of temperature and pressure on the equilibrium composition of the constituents was investigated. The results obtained in this work were compared with the data collected from the converter reactor of the Khorasan Petrochemical Ammonia plant. It was concluded that the results obtained from the method used in this work are in good agreement with the industrial data. Notably, the algorithm developed in this work, in spite of its simplicity, takes the advantage of short computation and convergence time.

Using Mixed Amine Solution for Gas Sweetening

The use of amine mixtures employing methyldiethanolamine (MDEA), monoethanolamine (MEA), and diethanolamine (DEA) have been investigated for a variety of cases using a process simulation program called HYSYS. The results show that, at high pressures, amine mixtures have little or no advantage in the cases studied. As the pressure is lowered, it becomes more difficult for MDEA to meet residual gas requirements and mixtures can usually improve plant performance. Since the CO2 reaction rate with the primary and secondary amines is much faster than with MDEA, the addition of small amounts of primary or secondary amines to an MDEA based solution should greatly improve the overall reaction rate of CO2 with the amine solution. The addition of MEA caused the CO2 to be absorbed more strongly in the upper portion of the column than for MDEA along. On the other hand, raising the concentration for MEA to 11%wt, CO2 is almost completely absorbed in the lower portion of the column. The addition of MEA would be most advantageous. Thus, in areas where MDEA cannot meet the residual gas requirements, the use of amine mixtures can usually improve the plant performance.