polynomial equation of heat capacities ( C p,m ) as a function of reduced temperature ( X ), [ X = f ( T )], by a least squares method so as to calculate smoothed heat capacities and various thermodynamicfunctions of the coordination compound
2 O 6 ·4H 2 O was interpreted by the Kissinger method [ 22 ]. The kinetic ( E a , ln A ) and thermodynamicfunctions (Δ H ≠ , Δ S ≠ , Δ G ≠ ) of the decomposition reaction of MnV 2 O 6 ·4H 2 O are discussed for the first time
) thermodynamicfunctions heat capacity, enthalpy, entropy, and Gibbs function for fulleride dimer in the range from T → 0 to 175 K and for [(η 6 -( m -xylene)) 2 Mo] •+ [C 60 ] •− monomeric complex for the interval between 220 and 320 K; comparison the
4 ) 6 Cl 2 and Ba 9.5 Cs 0.5 (PO 4 ) 6 Cl 2−δ were least squares fitted to obtain the following polynomials in temperature Table 2 Thermodynamicfunctions of Ba 10 (PO 4 ) 6 Cl 2 T /K C p ,m /J K −1 g −1 /J g −1 /J K −1 g −1 Measured Fit 298 0
dependences of solubility, saturated vapour pressure and crystal heat capacity
of [4-(Benzyloxy)phenyl]acetic acid were determined. The solubility of this
compound was investigated in n-hexane,
buffered water solutions with pH 2.0 and 7.4 and n-octanol.
The enthalpy of sublimation and vaporization as well as the fusion temperature
were determined. Solvation and solubility processes have been analyzed. The
thermodynamics of transfer processes from one buffer to another (protonation
process), from buffers to 1-octanol (partitioning process), and from n-hexane to the applied solvents (specific interaction)
have been calculated and compared to those of other NSAIDs. The relevant shares
of specific and non-specific interactions in the process of solvation have
been investigated and discussed.
, respectively. Thermodynamicfunctions were calculated extrapolating the measured C p (T) curve down to 0 K. The smoothed values of the C p and the calculated thermodynamic parameters at selected temperatures are summarized in Table 2
The deviation from the ideal behavior can best be expressed in terms of excess thermodynamicfunctions, namely, excess free energy ( g E ), excess enthalpy ( h E ), and excess entropy ( s E ), which give a more quantitative idea about the nature of
with this selected equation. Using these optimized values, other thermodynamicfunctions (Δ H *, Δ S *, and Δ G *) were calculated.
There are different methods in the academic literature for the calculations of
−1 , −69.88 J K −1 mol −1 and 93.27 kJ mol −1 for Δ H # , Δ S # and Δ G # , respectively) because the different methods and nature solid were applied. This indicates that the kinetic and thermodynamicfunctions of decomposition of each solid are
energy value to those obtained from model-free equations. The optimized value of activation energy and Arrhenius factor were calculated with the best equation. Using these optimized values, other thermodynamicfunctions (Δ H *, Δ S *, and Δ G *) were