低分子质量羧酸聚合物阻垢剂效果评价和理论研究  

Performance evaluation and theoretical study of carboxylic polymers with low molecular weight as scale inhibitors

作　　者：张可桂 左玉炜 杨文忠 葛峰 朱新胜 ZHANG Kegui;ZUO Yuwei;YANG Wenzhong;GE Feng;ZHU Xinsheng(Nanjing Institute of Environmental Science,Ministry of Ecology and Environmental of the People’s Republic of China,Nanjing 210042,China;College of Chemistry and Molecular Engineering,Nanjing Tech University,Nanjing 210037,China)

机构地区：[1]生态环境部南京环境科学研究所,江苏南京210042 [2]南京工业大学化学与分子工程学院,江苏南京210037

出　　处：《工业水处理》2023年第1期50-55,共6页Industrial Water Treatment

基　　金：生态环境部南京环境科学研究所中央级公益性科研院所基本科研业务专项资助项目(GYZX220302,GYZX210501)。

摘　　要：以低分子质量聚丙烯酸(PAA)和聚环氧琥珀酸(PESA)为研究对象,通过静态阻垢实验和分散能力测试评价其对碳酸钙垢的抑制效果,并结合量子化学计算及分子动力学模拟深入研究羧酸类分子结构与阻垢效果之间的关系。结果表明,两种低分子质量羧酸聚合物阻垢剂抑制了垢晶体的正常生长,引发了晶体畸变,且主要作用于方解石晶体的(104)和(110)晶面。和PESA相比,PAA具有更多的羧酸基团和负电荷,使其与Ca^(2+)之间的结合能增大,从而具备更高的阻垢效率。此外,温度对PAA阻垢能力的影响大于PESA。In this work,polyacrylic acid(PAA) and polyepoxysuccinic acid(PESA) with low molecular weight were investigated as inhibitors for CaCO3scale 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 Ca^(2+)stronger and provided it the better inhibiting efficiency.Moreover,the inhibitory ability of PAA was affected more than that of PESA by temperature.

关 键 词：聚丙烯酸 聚环氧琥珀酸 阻垢剂 量子化学 

分 类 号：TQ085[化学工程]