The generalized van der Waals theory of pure fluids and mixtures: Annual report for September 1985 to November 1986
The objective of the work is to use the generalized van der Waals theory, as derived earlier (''The Generalized van der Waals Partition Function I. Basic Theory'' by S.I. Sandler, Fluid Phase Equilibria 19, 233 (1985)) to: (1) understand the molecular level assumptions inherent in current thermodynamic models; (2) use theory and computer simulation studies to test these assumptions; and (3) develop new, improved thermodynamic models based on better molecular level assumptions. From such a fundamental study, thermodynamic models will be developed that will be applicable to mixtures of molecules of widely different size and functionality, as occurs in the processing of heavy oils, coal liquids and other synthetic fuels. An important aspect of our work is to reduce our fundamental theoretical developments to engineering practice through extensive testing and evaluation with experimental data on real mixtures. During the first year of this project important progress was made in the areas specified in the original proposal, as well as several subsidiary areas identified as the work progressed. Some of this work has been written up and submitted for publication. Manuscripts acknowledging DOE support, together with a very brief description, are listed herein.
- Research Organization:
- Delaware Univ., Newark (USA). Dept. of Chemical Engineering
- DOE Contract Number:
- FG02-85ER13436
- OSTI ID:
- 7138541
- Report Number(s):
- DOE/ER/13436-1; ON: DE87003416
- Country of Publication:
- United States
- Language:
- English
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The generalized van der Waals theory of pure fluids and mixtures
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400201* -- Chemical & Physicochemical Properties
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71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
COMPUTERIZED SIMULATION
DISPERSIONS
EQUILIBRIUM
FLUIDS
GASES
LIQUIDS
MATHEMATICAL MODELS
MIXTURES
MONTE CARLO METHOD
PHASE STUDIES
SIMULATION
TEMPERATURE DEPENDENCE
THERMODYNAMICS
VAPORS