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8 APMC和PBTCA分子与真空中Fe（110）表面的结合能和吸附能

Table 8 Binding energy and adsorption energy of APMC and PBTCA molecules adsorbed onto Fe（110） surface

分子 APMC6 APMC12 APMC18 PBTCA Eb/（kJ·mol-1） 1 891.95 1 972.78 2 606.20 427.35 Ead/（kJ·mol-1） -1 295.44 -1 323.03 -1 619.40 -363.97