Estimation of the heat capacities of organic liquids as a function of temperature using group additivity. I. Hydrocarbon compounds
Journal Article
·
· Journal of Physical and Chemical Reference Data; (United States)
OSTI ID:6251468
- National Institute of Standards and Technology, Gaithersburg, MD (United States)
A second-order group additivity method has been developed for the estimation of the heat capacity of liquid hydrocarbons as a function of temperature in the range from the melting temperature to the normal boiling temperature. The temperature dependence of group contributions and structural corrections has been represented by a polynomial expression. The adjustable parameters in the polynomials have been calculated using a weighted least squares minimization procedure. Recommended heat capacities from a large compilation of critically evaluated data that contains over 1300 organic liquids served as a database both for the development and testing of the method. 15 tabs.
- OSTI ID:
- 6251468
- Journal Information:
- Journal of Physical and Chemical Reference Data; (United States), Journal Name: Journal of Physical and Chemical Reference Data; (United States) Vol. 22:3; ISSN 0047-2689; ISSN JPCRBU
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360606* -- Other Materials-- Physical Properties-- (1992-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ALKANES
ALKENES
BOILING POINTS
DIENES
FLUIDS
HYDROCARBONS
LEAST SQUARE FIT
LIQUIDS
MAXIMUM-LIKELIHOOD FIT
MELTING POINTS
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
POLYENES
SPECIFIC HEAT
TEMPERATURE DEPENDENCE
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE
360606* -- Other Materials-- Physical Properties-- (1992-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ALKANES
ALKENES
BOILING POINTS
DIENES
FLUIDS
HYDROCARBONS
LEAST SQUARE FIT
LIQUIDS
MAXIMUM-LIKELIHOOD FIT
MELTING POINTS
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
POLYENES
SPECIFIC HEAT
TEMPERATURE DEPENDENCE
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE