Date of Award

Spring 1989

Document Type

Thesis

Degree Name

Master of Science in Chemical Engineering - (M.S.)

Department

Chemical Engineering, Chemistry and Environmental Science

First Advisor

Edward Charles Roche, Jr.

Second Advisor

Ernest N. Bart

Third Advisor

Dana E. Knox

Abstract

The objective of this study was to develop a method of estimating hydrocarbon pseudocomponent data in a format that is consistent with the ASPEN simulator. Although algorithms exist to estimate the pseudocomponent properties, no comprehensive program exists for the public version of ASPEN. A computer program was developed which will take a minimum of input data and can generate the necessary pure component properties for an ASPEN simulation. The program is meant to complement the ASPEN simulator, so the input is similar to ASPEN's input. The output can be incorporated directly into an ASPEN input or can be of the form used by ASPEN's data file management system (DENS) translator for creation of a user data bank.

The program has the capability to enter all the necessary input needed to generate the pseudocomponent data or will fill in missing values with 'good' estimates. The program is intelligent enough to calculate only the necessary pure component properties which are needed for a particular ASPEN property route. Preferred existing correlations were used whenever available. If no property correlation was found in the literature, the property constants were estimated using recommended estimation procedures. Parameters for the remaining properties for which no estimation technique could be found were fit using the ASPEN data bank.

An extensive estimation debug and report facility were included to trace the estimation procedure and/or summarize the properties estimated. Error/warning messages were incorporated wherever feasible, as were statistics on the fit of temperature dependent property constants. All parameter fit were performed using Marquardt's method.

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