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U.S. Department of Energy
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Prediction of thermodynamic properties of coal derivatives

Technical Report ·
DOI:https://doi.org/10.2172/5543252· OSTI ID:5543252
The purpose of this research program is to understand and model the effect of the different intermolecular forces on the thermodynamic properties of systems containing pure compounds and mixtures. The compounds under consideration vary considerably in size, shape and energy. Therefore in order to develop a theory capable of describing accurately the thermodynamic properties and phase behavior of such systems over a wide range of temperature and pressure, one has to take into account explicitly the differences in shape and size among the various compounds as well as the different type of intermolecular interactions. In order to get a better understanding of the intermolecular forces and to test some of our recent models, we have performed considerable experimental work. We used FTIR to examine hydrogen bonding interactions between small molecules and between small molecules and polymers. In addition, we investigated experimentally the high pressure phase behavior of ternary and quaternary systems exhibiting polar and hydrogen bonding interactions.
Research Organization:
Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Chemical Engineering
Sponsoring Organization:
DOE; USDOE, Washington, DC (United States)
DOE Contract Number:
FG02-87ER13777
OSTI ID:
5543252
Report Number(s):
DOE/ER/13777-4; ON: DE92009805
Country of Publication:
United States
Language:
English