Estimation of the Thermodynamic Properties of Unbranched Hydrocarbons

[+] Author and Article Information
H. He, M. Metghalchi

Department of Mechanical, Industrial, and Manufacturing Engineering, Northeastern University, 360 Huntington Avenue, Boston, MA 02115

J. C. Keck

Massachusetts Institute of Technology, Cambridge, MA 02139

J. Energy Resour. Technol 121(1), 45-50 (Mar 01, 1999) (6 pages) doi:10.1115/1.2795059 History: Received March 28, 1998; Revised December 02, 1998; Online November 06, 2007


A simple model has been developed to estimate the sensible thermodynamic properties such as Gibbs free energy, enthalpy, heat capacity, and entropy of unbranched hydrocarbons over a wide range of temperatures. The model is based on statistical thermodynamic expressions incorporating translational, rotational, and vibrational motions of the atoms. A relatively small number of parameters are needed to calculate the thermodynamic properties of a wide range of molecules. The calculated results are in good agreement with the available experimental data for unbranched hydrocarbons. The model can be used to make estimates for molecules whose properties have not been measured and is simple enough to be easily programmed as a subroutine for on-line kinetic calculations.

Copyright © 1999 by The American Society of Mechanical Engineers
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