Viscosity, correlation with surface charging

The ASA of carbon materials corresponds to the cumulated surface area of the different types of defects present on the carbon surface (stacking faults, single and multiple vacancies, dislocations) [14, 30] these sites are responsible for the interactions with the adsorbed species. A perfect linear relationship between the irreversible capacity and the value of ASA has been documented for different series of carbon samples [22]. While Cj. can be possibly not correlated with the BET area. Fig. 23.4 shows that it is linearly dependent of the ASA [31]. Moreover, all the samples coated with a thin carbon layer by pyrolytic decomposition of propylene demonstrate the lowest values of irreversible capacity and ASA (Fig. 23.4) [22, 31]. Figure 23.5 illustrates the positive effect of such a coating on the charge-discharge characteristics of carbon fibers from viscose. 

Following a similar approach but using a smaller data set of 369 compounds, Ivanciuc et al. correlated their liquid viscosity (10 Pa s) at 298 K with a mixed set of descriptors to obtain Eq. [48]. This involves three QM descriptors, one topological, and one constitutional descriptor. The QM descriptors were calculated with the AMI Hamiltonian in AMPAC, and CODESSA was used to calculate the descriptors and perform the statistical analyses. The HDCA2 parameter is the same HBD charged surface area used in Eq. [46]. The maximum electrophilic reactivity index, Ep, for a carbon atom is defined by X/ lumo,/A lumo+ 10), with the summation over the valence AOs on a carbon atom in the LUMO. The maximum AO electronic population, Y, models the molecular nucleophilicity and is defined by... 

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