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Estimation of the Heat Capacities of Organic Liquids as a Function of Temperature using Group Additivity. I. Hydrocarbon Compounds

 

作者: Vlastimil Ru˚zˇicˇka,   Eugene S. Domalski,  

 

期刊: Journal of Physical & Chemical Reference Data  (AIP Available online 1993)
卷期: Volume 22, issue 3  

页码: 597-618

 

ISSN:0047-2689

 

年代: 1993

 

DOI:10.1063/1.555923

 

出版商: AIP

 

数据来源: AIP

 

摘要:

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.

 

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