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2 PASP(m=5, n=5)部分原子的电荷分布

Table 2 Atomic charges distribution on PASP

C1 N2 C5 O6 O7 C10 C13 N16 -0.016 -0.508 0.614 -0.528 -0.505 -0.494 0.628 -0.537 C15 C18 O19 O20 C23 C26 O27 N29 0.033 0.588 -0.522 -0.537 -0.449 0.622 -0.565 -0.516 C28 C31 O32 C34 C37 O38 C39 N40 0.002 0.549 -0.523 -0.420 0.674 -0.534 0.048 -0.510 C42 O43 O44 C47 C50 O51 O52 O54 0.596 -0.523 -0.498 -0.438 0.648 -0.510 -0.505 -0.521