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Title: Thermodynamic properties by non-calorimetric methods. Final report

Abstract

This research program provided a valuable complement to the experimental programs currently in progress at NIPER for the Advanced Research and Technology Development (AR and TD) and Advanced Exploration and Process Technology (AEPT) divisions of the Department of Energy. These experimental programs are focused on the calorimetric determination of thermodynamic properties of key polynuclear heteroatom-containing aromatic molecules. The project for the Office of Energy Research focused on the non-calorimetric determination of thermodynamic properties through the extension of existing correlation methodologies and through molecular spectroscopy with statistical mechanics. The paper discusses the following studies: Group-contribution approach for polycyclic aromatic hydrocarbons (naphthalene, phenanthrene, anthracene, pyrene, 3-methylphenanthrene, benzoquinolines, biphenyl/hydrogen system); Group-contribution approach for key monocyclic organic compounds; Molecular spectroscopy and statistical mechanics; and Thermophysical property correlations.

Authors:
; ; ; ;  [1]
  1. IIT Research Inst., Chicago, IL (United States)|[National Inst. for Petroleum and Energy Research, Bartlesville, OK (United States)
Publication Date:
Research Org.:
IIT Research Inst., Chicago, IL (United States)
Sponsoring Org.:
USDOE Office of Energy Research, Washington, DC (United States)
OSTI Identifier:
674649
Report Number(s):
DOE/ER/13758-2
ON: DE99000192; TRN: AHC29820%%102
DOE Contract Number:  
FG05-87ER13758
Resource Type:
Technical Report
Resource Relation:
Other Information: PBD: [1992]
Country of Publication:
United States
Language:
English
Subject:
02 PETROLEUM; 40 CHEMISTRY; PROGRESS REPORT; HETEROCYCLIC COMPOUNDS; POLYCYCLIC AROMATIC HYDROCARBONS; THERMODYNAMIC PROPERTIES; INFORMATION SYSTEMS; SPECTROSCOPY; STATISTICAL MECHANICS

Citation Formats

Steele, W.V., Chirico, R.D., Collier, W.B., Strube, M.M., and Klots, T.D. Thermodynamic properties by non-calorimetric methods. Final report. United States: N. p., 1992. Web. doi:10.2172/674649.
Steele, W.V., Chirico, R.D., Collier, W.B., Strube, M.M., & Klots, T.D. Thermodynamic properties by non-calorimetric methods. Final report. United States. doi:10.2172/674649.
Steele, W.V., Chirico, R.D., Collier, W.B., Strube, M.M., and Klots, T.D. Thu . "Thermodynamic properties by non-calorimetric methods. Final report". United States. doi:10.2172/674649. https://www.osti.gov/servlets/purl/674649.
@article{osti_674649,
title = {Thermodynamic properties by non-calorimetric methods. Final report},
author = {Steele, W.V. and Chirico, R.D. and Collier, W.B. and Strube, M.M. and Klots, T.D.},
abstractNote = {This research program provided a valuable complement to the experimental programs currently in progress at NIPER for the Advanced Research and Technology Development (AR and TD) and Advanced Exploration and Process Technology (AEPT) divisions of the Department of Energy. These experimental programs are focused on the calorimetric determination of thermodynamic properties of key polynuclear heteroatom-containing aromatic molecules. The project for the Office of Energy Research focused on the non-calorimetric determination of thermodynamic properties through the extension of existing correlation methodologies and through molecular spectroscopy with statistical mechanics. The paper discusses the following studies: Group-contribution approach for polycyclic aromatic hydrocarbons (naphthalene, phenanthrene, anthracene, pyrene, 3-methylphenanthrene, benzoquinolines, biphenyl/hydrogen system); Group-contribution approach for key monocyclic organic compounds; Molecular spectroscopy and statistical mechanics; and Thermophysical property correlations.},
doi = {10.2172/674649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Dec 31 00:00:00 EST 1992},
month = {Thu Dec 31 00:00:00 EST 1992}
}

Technical Report:

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