Great Plains ASPEN Model Development: binary interaction parameters and activity coefficient parameters. Final report

Technical Report · Sat Dec 01 04:00:00 EST 1984

OSTI ID:6255267

Stern, S S; Millman, M C; Kirman, J J; Nwogu, D

The simulation of the various sections of the Great Plains Coal Gasification Plant involves modelling vapor-liquid equilibria and liquid-liquid equilibria that are highly nonideal. The Peng-Robinson equation of state, modified for water, was used in the simulation of most of the process sections. Interaction parameters established by regression of literature data, using ASPEN's DRS system, along with interaction parameter values found in the literature, became the database for the simulation. In two of the sections, the Oxygen Plant and the TEG drying of the product SNG, activity coefficient models were used because they gave a better prediction of the phase equilibrium. For the Rectisol unit, which removes hydrogen sulfide from the gas, parameters available from a DOE sponsored contract, Tristate, were used, after verification, for the ASPEN modified version of the RKS. The phases that were predicted using these parameters were checked against literature data and, in most cases, the liquid mole fractions of carbon dioxide predicted by the correlation were within 10% of those reported. A model that would predict phase equilibrium, based on the ionization of Lewis acids and bases and salts, would have been an ideal choice for simulation of the Stretford and Phosam flowsheets. However, only limited temperature dependent liquid activity coefficients data are available in the literature for the ionic species found in the Stretford and Phosam solutions, from which correlation parameters could be obtained by regression. Also, only the flash model can handle this type of calculation; therefore, it was used only to a limited extent in the simulation of the Stretford Unit Absorber. 118 references.

• Research Organization: Scientific Design Co., Inc., New York (USA)
• DOE Contract Number: AC21-82MC19163
• OSTI ID: 6255267
• Report Number(s): DOE/MC/19163-1712; ON: DE85005410
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010404* -- Coal
Lignite
& Peat-- Gasification
A CODES
CHEMICAL REACTIONS
COAL GASIFICATION PLANTS
COMPUTER CODES
COMPUTERIZED SIMULATION
DIAGRAMS
EQUATIONS
EQUATIONS OF STATE
EQUILIBRIUM
FLOWSHEETS
FLUIDS
GASES
HYDROCARBONS
HYDROGEN COMPOUNDS
INDUSTRIAL PLANTS
LIQUIDS
METHANATION
METHANOL PLANTS
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
OXYGEN PLANTS
PHASE STUDIES
PHOSAM PROCESS
RECTISOL PROCESS
SEPARATION PROCESSES
SIMULATION
STRETFORD PROCESS
VAPORS
WATER