【摘要】 分析了炔烃化学火用与其分子链接性指数的关系,得到了应用分子连接性指数计算炔烃化学火用的公式:E0x.ch=5.2526(0X)2+781.73(0X)-12.2327+21900×e-1.8601950X+Wt+Ze.这里的参数Wt和Ze分别反映了三键位置和支链对化学火用的影响.对50种炔烃化学火用计算结果显示,总的平均误差为0.193%.更多还原

【Abstract】 A calculated formula on the chemical exergy of a group of acetylenes has been obtained by analyzing the relation between the chemical exergy of acetylene and its molecular connectivity index.The result is that: E0x.ch=5.252 6(0X)2+781.73(0X)-12.232 7+21 900×e-1.860 1950X+Wt+Ze ,where parameters Zeand Wt are used to reflect the influence of the position of triple bond and the side chain on the chemical exergy,respectively.The total mean error is 0.193% for 50 kinds of acetylenes.更多还原