低分子质量羧酸聚合物阻垢剂效果评价和理论研究

In this work, polyacrylic acid(PAA)and polyepoxysuccinic acid(PESA)with low molecular weight were investigated as inhibitors for CaCO₃ scale through static experiment and dispersion test. The relationship between carboxylic molecular structure and inhibitory effect was further studied by quantum chemical calculations and molecular dynamics simulations. The results indicated those two carboxylic polymers inhibited the normal growth of scale crystal and induced its distortion, and the(104)and(110)surface of calcite crystal were mainly affected. Compared with PESA, PAA has more carboxylic group and negative charge, which made the binding energy with Ca²⁺ stronger and provided it the better inhibiting efficiency. Moreover, the inhibitory ability of PAA was affected more than that of PESA by temperature.