Abstract: In this study a ternary system containing sodium
chloride as solute, water as primary solvent and ethanol as the
antisolvent was considered to investigate the application of artificial
neural network (ANN) in prediction of sodium solubility in the
mixture of water as the solvent and ethanol as the antisolvent. The
system was previously studied using by Extended UNIQUAC model
by the authors of this study. The comparison between the results of
the two models shows an excellent agreement between them
(R2=0.99), and also approves the capability of ANN to predict the
thermodynamic behavior of ternary electrolyte systems which are
difficult to model.
Abstract: 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.