Species Calcote (#/cc) CEA (#/cc) [H.sub.2] 8.2 x [10.sup.15] 8.4 x [10.sup.15] [N.sub.2] 2.4 x [10.sup.18] 2.4 x [10.sup.18] CO 3.3 x [10.sup.16] 3.1 x [10.sup.16] C[O.sub.2] 3.5 x [10.sup.17] 3.5 x [10.sup.17] H 9.2 x [10.sup.15] 9.4 x [10.sup.15] OH 7.9 x [10.sup.15] 8.6 x [10.sup.15] O 6.6 x [10.sup.14] 6.0 x [10.sup.14] [H.sub.2]O 5.0 x [10.sup.17] 5.0 x [10.sup.17] [O.sub.2] 1.5 x [10.sup.15] 1.5 x [10.sup.15] NO 6.3 x [10.sup.15] 5.9 x [10.sup.15] N[O.sup.+] 1.7 x [10.sup.7] 1.8 x [10.sup.7] Table 2: Comparison of the dominant equilibrium ion concentrations using the Calcote method and minimization of the Gibbs free energy
List of abbreviations DTG Differential thermogravimetric DSC Differential scanning calorimetry E Apparent activation energy, kJ/mol G Gibbs free energy
, J/mol h Heating rate, [degrees]C/min H Enthalpy, J/mol K Equilibrium constant n Reaction order R Universal gas constant, 8.314 J/K mol S Entropy, J/mol K T Temperature, K TG Thermogravimetric x Conversion function Acknowledgement
The study of induction periods at each temperature determines kinetic parameters, such as rate constant and activation energy, and thermodynamic parameters, such as enthalpy, entropy and activation of Gibbs free energy
. The Rancimat method provides conductivity data as an indication of the occurrence of oxidation of the material analysed as a function of time.
The dependence graphs of the standard thermodynamic functions (Gibbs free energy
and enthalpy) of formation and atomization of the ternary compounds [Tl.sub.6][XHal.sub.4] and [Tl.sub.5][X.sub.2]Hal upon the ionization degree (ID) of chemical bonding are demonstrated in Figure 4.
Table 1 elaborates the standard Gibbs free energy
change when using glucose as the fermentation substrate and bacteria for hydrolysis, acid production, and fermentation [20, 21].
However, since the average and median nucleotide flexibility are slightly decreased at crowded solvent conditions, this results in a decrease of the Gibbs free energy
([DELTA]G) of -3.9kcal/mol (Tables 1(b) and 1(c)).
increasing temperature, value of enthalpy (6H) decreases, whereas Gibbs free energy
(6G) and entropy (6S) increases.
Some thermodynamic parameters Frequencies for [C.sub.8][H.sub.10][O.sub.2][N.sub.1] Zero-point Energy, correction Energy, Enthalpy lengths, Gibbs free Energy
are calculated and confirmed with other published theoretical data (Table 4).
Specifically, the phase stability analysis was performed using the global minimization of the tangent plane distance function (TPDF) , while the global optimization of the Gibbs free energy
was used for phase equilibrium calculations with or without chemical reactions .
 developed a thermodynamic model where Gibbs free energy
is a function of temperature and magnetic field to study the phenomena of lowering the transformation temperature by a magnetic field.