Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method

A new method for estimating high pressure liquid heat capacities based on molecular structure and group contribution is proposed. A common set of structural groups was employed. The method was developed using 67 sets of 43 organic compounds with 3449 experimental heat capacity data. A small number o...

Full description

Saved in:
Bibliographic Details
Published in:Journal of the Serbian Chemical Society 2011-01, Vol.76 (3), p.417-423
Main Authors: Jovanovic, Jovan, Knezevic-Stevanovic, Andjela, Grozdanic, Dusan
Format: Article
Language:English
Subjects:
Acceptability
Approximation
Data points
group contribution
Heat capacity
high pressure heat capacity
liquid
Liquids
Mathematical analysis
Organic compounds
prediction
pure compound
Specific heat
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A new method for estimating high pressure liquid heat capacities based on molecular structure and group contribution is proposed. A common set of structural groups was employed. The method was developed using 67 sets of 43 organic compounds with 3449 experimental heat capacity data. A small number of measured compounds, data points per compound and other comparable methods were observed. This is a simple first-order approximation with acceptable accuracy of 2.548%. nema
ISSN:0352-5139
1820-7421
DOI:10.2298/JSC100511031J