skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: New Group Contribution and Equation of State Models for Improved Engineering Practice

Abstract

As this was the final year of the research contract, most of the activities centered on completing some of the research in progress, and an orderly transition to other activities. Overall, the recent years of the project have been successful as evidenced by the accomplishments listed below and the papers published between 2005 and the present, as well as their impact and the cooperation they have encouraged with people qt other universities and industry.

Authors:
Publication Date:
Research Org.:
University of Delaware, Newark DE 19716
Sponsoring Org.:
USDOE - Office of Energy Research (ER)
OSTI Identifier:
934782
Report Number(s):
DOE/ER/13436- Final Report
DOE Contract Number:
FG02-85ER13436
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Sandler, Stanley I. New Group Contribution and Equation of State Models for Improved Engineering Practice. United States: N. p., 2008. Web. doi:10.2172/934782.
Sandler, Stanley I. New Group Contribution and Equation of State Models for Improved Engineering Practice. United States. doi:10.2172/934782.
Sandler, Stanley I. Mon . "New Group Contribution and Equation of State Models for Improved Engineering Practice". United States. doi:10.2172/934782. https://www.osti.gov/servlets/purl/934782.
@article{osti_934782,
title = {New Group Contribution and Equation of State Models for Improved Engineering Practice},
author = {Sandler, Stanley I},
abstractNote = {As this was the final year of the research contract, most of the activities centered on completing some of the research in progress, and an orderly transition to other activities. Overall, the recent years of the project have been successful as evidenced by the accomplishments listed below and the papers published between 2005 and the present, as well as their impact and the cooperation they have encouraged with people qt other universities and industry.},
doi = {10.2172/934782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 14 00:00:00 EDT 2008},
month = {Mon Jul 14 00:00:00 EDT 2008}
}

Technical Report:

Save / Share:
  • A major activity of the past year was research on equation of state parameter mixing rules in order to be applicable to complex mixtures which heretofore could only be described by activity coefficient models. Work on the UNIFAC/association model (group contribution methods) and on chain molecules and polymers is described. A new viscosity model was developed for hydrocarbons and petroleum reservoir fluids.
  • A major activity of the past year was research on equation of state parameter mixing rules in order to be applicable to complex mixtures which heretofore could only be described by activity coefficient models. Work on the UNIFAC/association model (group contribution methods) and on chain molecules and polymers is described. A new viscosity model was developed for hydrocarbons and petroleum reservoir fluids.
  • In order to calculate the mobile source portion of the emission inventory, transportation planners rely on computer models. Emissions modeling systems act as an interface between the emission factor models and travel demand models, pulling data from both models to calculate mobile source emissions estimates. The report describes two emission factor models, including major inputs and outputs, and concerns that have been raised about the accuracy of their emission factors. The authors compared the two models and found the principal difference to be their treatment of trip and emissions. California`s emission factor model (EFMAC) treats evaporative and start-up effects asmore » proportional to trip ends, while U.S. Environmental Protection Agency`s model, MOBILE, treats trip ends as a part of its running emissions total. Research is being sponsored by both the EPA and California to try to increase the accuracy of their models.« less
  • This report updates research report 1279-3, which discusses the computer models that air quality nonattainment areas must use to estimate the mobile source portion of emission inventories for the State Implementation Plan. This report describes emissions modeling systems that are currently being used or have recently been used for air quality analysis aspects of transportation planning. Both MOBILE and EMFAC are described, and concerns about the accuracy of their emission factors are reported. Each emissions modeling system is described, including major inputs and outputs, and which emission factor model and travel demand model the emissions model will interface with. Themore » authors evaluated each emissions modeling system for possible use in Texas.« less