Modeling of a complex, polar system with a modified Soave-Redlich-Kwong equation
- Union Carbide Corp., So. Charleston, WV (US)
It is computationally feasible to use a simple equation of state (like a Redlich-Kwong) to calculate liquid fugacity but the simpler equations work well only for moderately non-ideal systems. More complex equations (like Ghemling-Lui-Prausnitz) predict system behavior more accurately but are much more complicated to use and can require fitting many parameters to data. This paper illustrates success in using a modified Redlich-Kwong to model a complex system including water, hydrogen, sub and supercritical ammonia, and amines. The binary interaction parameter ({Kappa}/sub ij/) of the Soave-Redlich-Kwong equation has been modified to be both asymmetric and temperature dependent. Further, the ai constant was determined by fitting vapor pressure data. Predicted model results are compared to literature (example 1) or plant data (examples 2-4) for four systems: 1. The ammonia-water binary over a wide range of pressure and temperature including ammonia above its critical. 2. A multicomponent Vapor-Liquid equilibrium flash tank and condenser containg hydrogen, amonia, water, and other heavier compounds. 3. A multicomponent vapor-liquid equilibrium flash tank containing water, heavier mines, and the amine salts. 4. A Liquid-Liquid-Vapor equilibrium decanter system containing water, ammonia, and an organic chloride.
- OSTI ID:
- 5696015
- Report Number(s):
- CONF-880348-
- Resource Relation:
- Conference: American Institute of Chemical Engineers spring national meeting, New Orleans, LA (USA), 6-10 Mar 1988; Other Information: Technical Paper 32E
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
AMINES
THERMAL EQUILIBRIUM
AMMONIA
HYDROGEN
ORGANIC CHLORINE COMPOUNDS
WATER
BINARY MIXTURES
EQUATIONS OF STATE
MATHEMATICAL MODELS
PHASE STUDIES
DISPERSIONS
ELEMENTS
EQUATIONS
EQUILIBRIUM
HYDRIDES
HYDROGEN COMPOUNDS
MIXTURES
NITROGEN COMPOUNDS
NITROGEN HYDRIDES
NONMETALS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
OXYGEN COMPOUNDS
023000* - Petroleum- Properties & Composition
400201 - Chemical & Physicochemical Properties