(The generalized van der Waals theory of pure fluids and mixtures)
One important goal of our current work is to extend our successful equations of state derived for simple model fluids such as the square well and exponential-six atomic fluids, which are based on theory and computer simulation, to more realistic and complex fluids. We have been concentrating our efforts on small, rigid molecular fluids such as nitrogen, ethane, carbon disulfide, and propane, and trying to understand what are the important features of these fluids must be accounted for in their thermodynamic description. That is, we are trying to understand why empirical equations, such as the Peng-Robinson equation of state, are useful for spherical and nonspherical molecules (provided the molecules are not too large) even though they contain no structural information other than the critical properties. Our principal tools for gaining insight into the thermodynamic and structural behavior of molecular fluids has been the generalized van der Waals partition function and Monte Carlo computer simulation. Progress is described. 6 refs., 13 figs., 3 tabs.
- Research Organization:
- Delaware Univ., Newark, DE (USA). Dept. of Chemical Engineering
- Sponsoring Organization:
- DOE/ER
- DOE Contract Number:
- FG02-85ER13436
- OSTI ID:
- 5610422
- Report Number(s):
- DOE/ER/13436-4; ON: DE90000504
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400201* -- Chemical & Physicochemical Properties
ALKANES
CARBON COMPOUNDS
CARBON SULFIDES
CHALCOGENIDES
CYCLOALKANES
DISPERSIONS
DOCUMENT TYPES
ELEMENTS
EQUATIONS
EQUATIONS OF STATE
ETHANE
FLUIDS
HYDROCARBONS
MIXTURES
NITROGEN
NONMETALS
ORGANIC COMPOUNDS
PROGRESS REPORT
PROPANE
SULFIDES
SULFUR COMPOUNDS
VAN DER WAALS FORCES