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
相关论文
共 50 条
  • [1] NEW METHOD FOR PREDICTION OF LIQUID HEAT CAPACITIES OF ORGANIC COMPOUNDS.
    Kan, Danfeng
    Yu, Feibai
    Huagong Xuebao/Journal of Chemical Industry and Engineering (China), 1987, (01): : 85 - 92
  • [2] Position group contribution method for the prediction of critical pressure of organic compounds
    Wang, Qiang
    Jia, Qingzhu
    Ma, Peisheng
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2008, 53 (08): : 1877 - 1885
  • [3] Prediction of liquid heat capacities by the group contribution equation of state VTPR
    Diedrichs, Anaja
    Rarey, Juergen
    Gmehling, Juergen
    FLUID PHASE EQUILIBRIA, 2006, 248 (01) : 56 - 69
  • [4] Correlation and prediction of liquid constant pressure heat capacities for organic compound
    Wang, S.-C. (wsc6@163.com), 1600, Zhejiang University (27):
  • [5] Prediction of heat capacities and heats of vaporization of organic liquids by group contribution methods
    Ceriani, Roberta
    Gani, Rafiqul
    Meirelles, Antonio J. A.
    FLUID PHASE EQUILIBRIA, 2009, 283 (1-2) : 49 - 55
  • [6] Prediction of critical temperature and pressure of organic compounds by group contribution
    Daubert, Thomas E.
    Bartakovits, Roger
    Industrial and Engineering Chemistry Research, 1989, 28 (05): : 638 - 641
  • [7] Prediction of heat capacities of solid binary oxides from group contribution method
    Leitner, J
    Sedmidubsky, D
    Chuchvalec, P
    CERAMICS-SILIKATY, 2002, 46 (01) : 29 - 32
  • [8] Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution
    Xia, Li
    Pan, Yule
    Zhao, Tingting
    Sun, Xiaoyan
    Tao, Shaohui
    Chen, Yushi
    Xiang, Shuguang
    CHINESE JOURNAL OF CHEMICAL ENGINEERING, 2023, 57 : 30 - 38
  • [9] Estimating heat capacities of liquid organic compounds based on elements and chemical bonds contribution
    Li Xia
    Yule Pan
    Tingting Zhao
    Xiaoyan Sun
    Shaohui Tao
    Yushi Chen
    Shuguang Xiang
    ChineseJournalofChemicalEngineering, 2023, 57 (05) : 30 - 38
  • [10] A simple group contribution correlation for the prediction of ionic liquid heat capacities at different temperatures
    Ahmadi, Alireza
    Haghbakhsh, Reza
    Raeissi, Sona
    Hemmati, Vahid
    FLUID PHASE EQUILIBRIA, 2015, 403 : 95 - 103
12345