金属态原子电负性的计算及应用(II)

利用修正后的Ｐａｕｌｉｎｇ计算单键键能的公式对Ｈ２、Ｏ２、ＣＯ双原子分子在某些过渡金属上解离吸附参数（包括活化吸附热，金属－吸附物种表面键能）进行了计算，获得了丰富的表面键能量参数数值，弥补了实验数据的不足。从而，为在一定程度上帮助人们从分子微观动力学的角度认识催化反应的实质，提供了较为可靠的理想依据。

Calculation of Solid Metal Atom's Electronegativity and its Application(II)

In this paper, heat of chemisorption and surface bond energies of diatomic molecules (H2, O2, CO) on some transition metals surface are empirically calculated based on the modified Pauling's equation, i.e.,
EM-A,S=(αEM-M+EA-A,S)/2+23(X-βXA)2
where XM is a newly defined electronegativity of solid matal atom by the author. These surface bond energies will be useful for understanding the nature of catalytic surface reaction.