Based on the partition function in statistical thermodynamics, atomic partit ion 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 ato ...Based on the partition function in statistical thermodynamics, atomic partit ion 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 ato ms, and excellent correlativity with the standard entropies (,J·mol-1·K -1) of 70 cations in solid compounds: = -10.247+27.508 fi , r=0.996. A satisfactory curve equation is developed as follows: =6.229+13.257 fi1.5, r= 0.999. On the basis of adjacency matrices and fi , a novel partition connectivit y index is developed for the study on the standard entropies of 64 S block compo unds. The linear regression equation is set up by the least square method: =-3 9.416+33.9610H, r=0.985. The binary linear equation among and 0H, nM (princip al quantum number of the ground state atoms for S block) is drawn up: =-21.591 +32.0720H-31.013nM-1, R=0.990. The calculated values of basically tally w ith the experiment values. fi and 0H demonstrate that the method possesses the a dvantage of easy computation and clear physical significance.展开更多
文摘Based on the partition function in statistical thermodynamics, atomic partit ion 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 ato ms, and excellent correlativity with the standard entropies (,J·mol-1·K -1) of 70 cations in solid compounds: = -10.247+27.508 fi , r=0.996. A satisfactory curve equation is developed as follows: =6.229+13.257 fi1.5, r= 0.999. On the basis of adjacency matrices and fi , a novel partition connectivit y index is developed for the study on the standard entropies of 64 S block compo unds. The linear regression equation is set up by the least square method: =-3 9.416+33.9610H, r=0.985. The binary linear equation among and 0H, nM (princip al quantum number of the ground state atoms for S block) is drawn up: =-21.591 +32.0720H-31.013nM-1, R=0.990. The calculated values of basically tally w ith the experiment values. fi and 0H demonstrate that the method possesses the a dvantage of easy computation and clear physical significance.