A COMPUTER MODEL OF THE RECTISOL PROCESS USING THE ASPEN SIMULATOR by Rosalyn A. preston SUBMITTED IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF MASTER OF SCIENCE IN CHEMICAL ENGINEERING at the MASSACHUSETTS INSTITUTE OF TECHNOLOGY December, 1981 Q Massachusetts Institute of Technology 1981 Signature of Author Signature of Author Department of Chemical Engineering December 7, 1981 Certified by Lawrence B. Evans Thesis Supervisor Accepted by Glenn C Williams Chairman, Departmental Graduate Committee Archives MASSACHUSETTS INSTiTUTE OF TECHMflLOGY JUN 1 13982 i IRRA!ES
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A COMPUTER MODEL OF THE RECTISOLPROCESS USING THE ASPEN SIMULATOR
by
Rosalyn A. preston
SUBMITTED IN PARTIAL FULFILLMENTOF THE REQUIREMENTS FOR THE
DEGREE OF
MASTER OF SCIENCE INCHEMICAL ENGINEERING
at the
MASSACHUSETTS INSTITUTE OF TECHNOLOGY
December, 1981
Q Massachusetts Institute of Technology 1981
Signature of AuthorSignature of Author Department of Chemical Engineering
December 7, 1981
Certified byLawrence B. EvansThesis Supervisor
Accepted byGlenn C Williams
Chairman, Departmental Graduate Committee
ArchivesMASSACHUSETTS INSTiTUTE
OF TECHMflLOGY
JUN 1 13982
i IRRA!ES
A COMPUTER MODEL OF THE RECTISOLPROCESS USING THE ASPEN SIMULATOR
by
Rosalyn A. Preston
Submitted to the Department of Chemical Engineering
on December 7, 1981 in partial fulfillment of the
requirements for the Degree of Master of Science
in Chemical Engineering
ABSTRACT
A computer model of the Rectisol process for acidgas absorption has been developed with the ASPENprocess simulator. The model uses a modified ver-sion of the Redlich-Kwong-Soave equation-of-stateto represent the phase equilibria for the methanol-water-aromatics-acid gas system. This report de-scribes the development of the physical propertiesmodel and the flowsheet simulation. The work isbased on the CONOCO design for a commercial scalecoal gasification facility. The computer modellingeffort was carried out under contract to the Morgan-town Energy Technical Center, U. S. Department ofEnergy.
TABLE OF CONTENTS
ACKNOWLEDGEMENTS . . . . . . . . . . . . . .
I. INTRODUCTION . . . . . . . . . . . . . . . .
II. AC:ID GAS ABSORPTION PROCESSES . . . . . . .
General Features of Acid Gas AbsorptionProcesses . . . . . . . . . . . . . . .
Absorption . . . . . . . . . . . . .
Regeneration . . . . . .. . . . .
Solvent Selection . . . . . . . .
Heat Integration . . . . . . . . . .
Solvent Recovery . . . . . . . .a
Advantages of the Rectisol Process . . .
Rectisol Process Description . . . . . .
III. DEVELOPMENT OF PHYSICAL PROPERTIES MODEL ..
Selection of the Thermodynamic Model . .
vii.. . 6. a . 6
· · · 6
a1 a a 7
a a a 7* a a 9
* a a 10
. . . 12
. a a 12
* a a 13
. a a 19
a . . 19
Modified Redlich-Kwong-Soave Equation-of-State
Experimental Phase Equilibrium Data . . . . .
Development of Modified Redlich-Kwong-SoaveModel Parameters . . . . . . . . . . . . . . .
The process model described in this report represents a
viable Rectisol process, based on the CONOCO design. The
model demonstrates that the synthesis gas may be desulfurized
and the methanol solvent may be regenerated with reasonable
operating conditions.
It is difficult to assess the validity of the computer
model in view of the lack of published process data. One
point of comparison lies in the predicted compositions for
the desulfurized gas and acid gas. The current basis for the
methanol circulation rate, which is not consistent with the
CONOCO basis, renders this comparison meaningless. Unfortu-
nately, this project was concluded, due to lack of computer
funds, before a valid comparison could be made at an increased
methanol circulation rate. However, a minor adjustment of
the main wash solvent rate to approximately 3400 lbmol/hr
from the current 3100 lbmol/hr is expected to bring the model
predictions in line with the design basis.
The Rectisol computer model was developed as a flexible
tool which may be applied in future design work or sensitivity
studies. The effect of a design modification to one of the
major process units may be examined using the rigorous stand-
alone model. The results of this simulation may then be trans-
ferred to the overall simulation to assess the impact of the
change on the process as a whole. In addition, the model may
be employed to consider the trade-offs between such variables
as the absorption temperature, the degree of regeneration,
and the methanol circulation rate. An enhancement of the
60
Rectisol model by linking it to the ASPEN Cost Estimation
Subsystem and Economic Evaluation Subsystem would permit these
design changes to be evaluated from an economic standpoint.
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APPENDIX A
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