A biplot method for multivariate normal populations with by Calvo M., Villarroya A., Oller J.M.

By Calvo M., Villarroya A., Oller J.M.

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Com) Copyright © 2004 The McGraw-Hill Companies. All rights reserved. Any use is subject to the Terms of Use as given at the website. 27 PURE COMPONENT CONSTANTS Joback’s values for contributions to the critical properties are in Table C-1. Example 2-10 shows the method. Example 2-10 Estimate Tƒp and Tb for 2,4-dimethylphenol by using Joback’s group method. solution 2,4-dimethylphenol contains two —CH3, three ϭCH(ds), three ϭC(ds), and one —OH (phenol). 2% Devotta and Pendyala (1992) modified the Joback method to more accurately treat Tb of halogenated compounds.

The early method of Grigoras (1990) described above is not as bad for Tb as for the critical properties, but is not as good as the others shown here. Finally, in Sec. 2-5, we comment on how these techniques compare with the group / bond / atom methods. Method of Yalkowsky for Tƒp and Tb. , 1995; Zhao and Yalkowsky, 1999) have explored connections between Tƒp and Tb as well as have proposed correlations for Tƒp. , 1994). The method consists of both group contributions which are additive and molecular descriptors which are not additive.

L. Costello, and P. C. Jurs: J. Chem. Inf. Comput. , 38: 639 (1998). , 16: 137 (1984). Twu, C. H. and J. E. , 117: 233 (1996). , 109: 17 (1995); 119: 231 (1996). , 38: 5019 (1999). Wessel, M. , and P. C. Jurs: J. Chem. Inf. Comput. , 35: 68, 841 (1995). Wilson, G. , R. H. Johnston, S. C. Hwang, and C. Tsonopoulos: Ind. Eng. Chem. Proc. Des. , 20: 94 (1981). Wilson. G. , and L. V. Jasperson: ‘‘Critical Constants Tc, Pc, Estimation Based on Zero, First and Second Order Methods,’’ AIChE Spring Meeting, New Orleans, LA, 1996.

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