Masters Theses

Date of Award

3-1988

Degree Type

Thesis

Degree Name

Master of Science

Major

Chemical Engineering

Major Professor

Atul C. Sheth

Abstract

The objective of this effort was to extend the capabilities of Advanced System for Process Engineering (ASPEN) to allow for computer modeling of electrolyte systems. The inherent problem in the ASPEN code was the system's inability to handle the simultaneous chemical and phase equilibrium calculations for electrolyte systems. This problem was broken down into four areas for solution. First, binary interaction parameters had to be developed for various electrolyte systems. This parameter explains the interaction between various electrolyte pairs and is calculated by regressing vapor pressure depression data or boiling point elevation data in the ASPEN Data Regression System (DRS). Literature searches were conducted to find the experimental data for various electrolytes. This information proved to be limited and some of the data were developed by experiments at the University of Tennessee Space Institute (UTSI). This work was begun by another student (Davis, 1985) at UTSI and continued under this project. Second, user models were written that would handle the simultaneous chemical and phase equilibrium calculations for both single and multi-component electrolyte systems. The models had to be written in ASPEN format (ASPEN Technical Reference Manual, Chapter 6) so they could be linked to the ASPEN library. Third, ASPEN user libraries were expanded to incorporate both the new databases and user models making the upgraded system capable of modeling electrolyte systems. Fourth, two electrolyte schemes were chosen for modeling under this project. The two schemes selected for modeling were chosen for their potential application to the magnetohydrodynamic power generation process (MHD) and because the data needed could either be found in the literature or through experimentation.

The results from this effort showed that the Econoseed Process or preferably the Formate Process from which it is derived should be given additional consideration as a possible scheme for application in the MHD Seed Regeneration system whereas the Hydrated Lime Process should not be given any additional consideration due to the high process water and gross energy requirements. Additional consideration should include development of a process to produce and deliver adequate quantity of calcium formate to the process reactor, sizing of evaporators, and evaluation of various sized spray dryers to completely dry the product potassium formate before recycle back to the MHD combustor.

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