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

被引：13
|
作者：
Jovanovic, Jovan D. [1 ]
Knezevic-Stevanovic, Andela B. [2 ]
Grozdanic, Dusan K. [1 ]
机构：
[1] Univ Belgrade, Dept Chem Engn, Fac Technol & Met, Belgrade 11000, Serbia
[2] Metro Vancouver, Burnaby, BC V5H 4G8, Canada
来源：
JOURNAL OF THE SERBIAN CHEMICAL SOCIETY | 2011年 / 76卷 / 03期
关键词：
high pressure heat capacity; prediction; group contribution; liquid; pure compound; JOULE-THOMSON COEFFICIENTS; GROUP ADDITIVITY; THERMOPHYSICAL PROPERTIES; CONSTANT-PRESSURE; THERMAL-CONDUCTIVITY; WORKING FLUID; 353.15; K; 30; MPA; TEMPERATURES; DENSITIES;
D O I：
10.2298/JSC100511031J
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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 2.55 %.
引用
收藏
页码：417 / 423
页数：7
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