OVERVIEW

This appendix contains the group definitions, correlating equations and parameter values of group contribution methods for pure component property estimation that are found in more than one chapter. Specifically, basic equations, tables of group identities, example molecules and values for contributions to properties are given for the Constantinou and Gani (1994; 1995) Nielsen (1998) and Joback (1984, 1987) methods. The Constantinou/Gani table has been assembled with additional assistance of Dr. Jens Abildskov, Department of Chemical Engineering, Technical University of Denmark, Lyngby, DK-2800, including use of the computer software of ProPred in the ICAS suite of the Computer Aided Process Engineering Center (CAPEC) jointly led by Drs. Rafiqul Gani and Sten Bay J ?rgensen of the Technical University of Denmark (http://www.capec.kt.dtu.dk). The Joback table was assembled with the assistance of Dr. K. G. Joback, especially using the computer software of CRANIUM provided by Molecular Knowledge Systems, Inc. Bedford, NH, 03110 (http://www.molknow.com). The authors are grateful to all of these individuals and organizations for their help.

The symbol * has been included with the group formula if it is not present in the substances of the data base in Appendix A and therefore has not been directly tested in the methods of Chaps. 2, 3, and 4. Results using such groups are included in summaries of original and later sources. Many small molecules with two or fewer carbon atoms are treated as single groups. It is possible to form some of them from the groups listed; comparisons have been made...