三聚吡啶类缓蚀阻垢双效药剂的实验及理论研究

斯绍雄,陈贤,倪小龙,陈玉萍,韩丰泽,吕祥鸿,王晨,张军平,候炳臣,李健

Experimental and theoretical investigation of trimeric pyrdinium agent as bi-functional inhibitor for corrosion and scaling

Shaoxiong SI,Xian CHEN,Xiaolong NI,Yuping CHEN,Fengze HAN,Xianghong LÜ,Chen WANG,Junping ZHANG,Bingchen HOU,Jian LI

表7 APMC和PBTCA分子与真空中Ca²⁺的结合能和吸附能

Table 7 Binding energy and adsorption energy of APMC and PBTCA molecules in vacuum Ca²⁺ boxes

分子	APMC₆	APMC₁₂	APMC₁₈	PBTCA
E_b/（kJ·mol^-1）	1 546.81	1 540.20	1 548.82	710.87
E_ad/（kJ·mol^-1）	-681.61	-494.49	-418.64	-393.15