Studies on the Correlativities of Partition Function with Standard Entropy and Hydrated Enthalpy of Cations
Feng Chang · 2003
Based on the relationship between partition function and entropy in statistical thermodynamics for a distinguishable particle system, the atomic weight (A_(r,i)) and electronic shell number(n_i) of ground state atom i has an excellent correlativity with the standard entropies \{[S~0_m/(J·mol~(-1)·K~(-1))]\} of 70 cations in solid compounds: S~0_m=(-0.51)+(3.59)·((1.5\}ln A_(r,i))~(1.4)-\{0.31(ln\} n_i)~2, R=(0.999 6.) Based on the relationship between enthalpy and partition function for an indistinguishable particle system, the linear regression equation between ground state energies (e_i) and hydrated enthalpies[-Δ_hH_m/(kJ·mol~(-1))] of 51 metal ions is drawn up: -Δ_hH_m=46.93+525.49e_i, R=(0.992 0). The calculated values of S~0_m, (Δ_hH_m) basically tally with the experiment values.