Reactor modeling and simulation of perchloroethylene extraction desulfurization of coal

Abstract

Desulfurization of coal by perchloroethylene extraction is based on a complex and hybrid system of chemical reaction and solvent extraction. Batch kinetic studies have shown that the reaction follows a pseudo-first order rate kinetics. The batch kinetic data have been used to estimate first order rate parameters. In this paper, these parameters have been used to develop models for batch, plug-flow (PFR), single and continuous stirred tank reactor (CSTR). Simulations studies have been conduced to obtain exit concentrations of these reactors. A new parameter, called Performance Index, has been developed in order to compare the performances of various reactors. In order to arrive at relevant conclusions, simulation studies have been conducted on three different types of coals. It was found from the simulation results that the batch reactor performance coincided with the experimental data, indicating a good predictive capability of the model. It was also found that coals of different types differed in their kinetic behavior, and thus, the reactor design to achieve optimal conversion is strong function of the type of coal. Finally, given the kinetic data for a specific type of coal, the Residence Time Curves for CSTR determine the most optimal reactor design. This investigation is very significant from the point of reactor design and perchloroethylene coal cleaning process development.