聚天冬氨酸阻垢缓蚀性能量子化学研究

程玉山,吴晋英,黄长山

Quantum chemistry study on scale-corrosion inhibition performance of polyaspartic acid

Yushan Cheng,Jinying Wu,Changshan Huang

表1 PASP部分原子的键长

Table 1 Partial atomic bond lengths of PASP

原子键 C1—N2 C1—C5 C1—C10 C5—O6 C5—O7 C10—C13 键长/10-10 m 1.473 66 1.535 73 1.547 44 1.210 27 1.356 18 1.515 20 原子键 C13—O14 C13—N16 N16—C15 C15—C18 C18—O19 C18—O20 键长/10-10 m 1.213 89 1.409 93 1.470 56 1.542 65 1.208 00 1.357 46 原子键 C15—C23 C23—C26 C26—O27 C26—N29 N29—C28 C28—C31 键长/10-10 m 1.536 27 1.515 08 1.223 35 1.394 53 1.477 12 1.559 06 原子键 C31—N40 N40—C39 C42—O44 C39—C47 C47—C50 C50—O54 键长/10-10 m 1.396 18 1.476 84 1.360 96 1.531 36 1.495 00 1.373 19