| Abstract: Based on the partition function in statistical thermodynamics, atomic partition parameter fi =lg[(ni-1)0.5·Ar,i] is introduced in this paper. The fi has demonstrated good unitarity for all the ground state atoms, and excellent correlativity with the standard entropies (Sm?,J·mol-1·K-1) of 70 cations in solid compounds: Sm?=-10.247+27.508 fi, r=0.996. A satisfactory curve equation is developed as follows: Sm?=6.229+13.257 fi1.5, r=0.999. On the basis of adjacency matrices and fi, a novel partition connectivity index is developed for the study on the standard entropies of 64 S block compounds. The linear regression equation is set up by the least square method:Sm?=-39.416+33.9610H, r=0.985. The binary linear equation among and 0H, nM (principal quantum number of the ground state atoms for S block) is drawn up:Sm?=-21.591+32.0720H-31.013nM-1, R=0.990. The calculated values of Sm? basically tally with the experiment values. fi and 0H demonstrate that the method possesses the advantage of easy computation and clear physical significance. |
