Bonding indices

Solubility of resins can be predicted in a similar way as for the solubility of polychloroprene rubbers in a solvent mixture (see Section 5.5) by means of solubility diagrams (plots of the hydrogen bonding index (y) against the solubility parameter (5). Another more simple way to determine the solubility of resins is the determination of the cloud point, the aniline and the mixed aniline points. 

Solvent Solubility parameter (S) (Hildebrands) Hydrogen bonding index (y) Relative evaporation rate (mPa s) Viscosity at 20 C... 

The authors justified their result considering that the bond index [Br = (coefficient r LUMO) (coefficient s LUMO) ] on the LUMO accounted for the formation of the Dewar isomer on the central ring of the trithiazole. By contrast, calculations show that the Dewar isomer should be formed on the third ring of the trithiazole (Fig. 17) (99MI233). 

Table 1. The 72-atom model examined by different theoretical methods. The energy differences (AE in kcal/mol) are calculated with respect to the lowest SCF energy. q(Fe) stands for Mulliken population charges on the Fe atoms q(S) and SS(b.i.) are the Mulliken population charges and the bond index for the bridging S atoms, respectively AEq is the calculated Mossbauer quadrupole splitting constant [mm/sec]. The PUHF spin states are those projected from the UHF wavefunction with 5 = 5,. 

The Mulliken charges of the iron and sulfur atoms, and especially the bond index between the bridging sulfurs (see Tables 1 and 2), favor a bonding description of a single S - S bond that stems from the [Fe - - Fe] core... 

Material Bonding index Brittle Strain fracture index index ... 

The purpose of the Bonding Index is to estimate the survival of strength during decompression [31] it is defined as... 

A more detailed analysis using multivariable regression of the ibuprofen data demonstrated that a three-parameter model accurately fit the data (Table 7). The Bonding Index and the Heywood shape factor, a, alone explained 86% of the variation, while the best three-variable model, described in what follows, explained 97% of the variation and included the Bonding Index, the Heywood shape factor, and the powder bed density. All three parameters were statistically significant, as seen in Table 7. Furthermore, the coefficients are qualitatively as... 

Fig. 12 Plot of the shear index value, N, as determined using simplified shear cell methodology, versus Worst Case Bonding Index, BIW.

Explained variation Bonding Index Heywood shape parameter Powder bed density Particle diameter Permanent deformation pressure... 

Material Bonding Index x 102 Brittle Fracture Index Strain Index x 102... 

---