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Development of new Groups for GA

In this work, we develop a consistent set of oxygenated peroxy-hydrocarbon and acetylene-alcohol groups derived from the thermodynamic properties data of a set of hydroperoxides, peroxides, ethers and alcohols determined in previous chapters. [Pg.67]

All values are intrinsic, that is the entropy component excludes contributions to symmetry and the number of optical isomer in the parent molecule. [Pg.67]

The following example describes the calculation of group additivity value for the [Pg.68]

The calculated enthalpies for the groups developed in this work are summarized in Table 4.7 below. [Pg.68]

The entropy,, of each group, is derived from the calculated entropy of stable molecules. As [Pg.68]


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Development group

Gas development

Gas groups

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