低分子质量羧酸聚合物阻垢剂效果评价和理论研究

Kegui Zhang; Yuwei Zuo; Wenzhong Yang; Feng Ge; Xinsheng Zhu

doi:10.19965/j.cnki.iwt.2022-0249

低分子质量羧酸聚合物阻垢剂效果评价和理论研究

Translated title of the contribution: Performance evaluation and theoretical study of carboxylic polymers with low molecular weight as scale inhibitors

Kegui Zhang, Yuwei Zuo, Wenzhong Yang, Feng Ge, Xinsheng Zhu

School of Chemistry and Moleculai Engineering

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

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.

Translated title of the contribution	Performance evaluation and theoretical study of carboxylic polymers with low molecular weight as scale inhibitors
Original language	Chinese (Traditional)
Pages (from-to)	50-55
Number of pages	6
Journal	Industrial Water Treatment
Volume	43
Issue number	1
DOIs	https://doi.org/10.19965/j.cnki.iwt.2022-0249
State	Published - Jan 2023

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title = "低分子质量羧酸聚合物阻垢剂效果评价和理论研究",

abstract = "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.",

keywords = "polyacrylic acid, polyepoxysuccinic acid, quantum chemical, scale inhibitor",

author = "Kegui Zhang and Yuwei Zuo and Wenzhong Yang and Feng Ge and Xinsheng Zhu",

year = "2023",

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doi = "10.19965/j.cnki.iwt.2022-0249",

language = "繁体中文",

volume = "43",

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T1 - 低分子质量羧酸聚合物阻垢剂效果评价和理论研究

AU - Zhang, Kegui

AU - Zuo, Yuwei

AU - Yang, Wenzhong

AU - Ge, Feng

AU - Zhu, Xinsheng

PY - 2023/1

Y1 - 2023/1

N2 - 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.

AB - 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.

KW - polyacrylic acid

KW - polyepoxysuccinic acid

KW - quantum chemical

KW - scale inhibitor

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U2 - 10.19965/j.cnki.iwt.2022-0249

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SN - 1005-829X

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低分子质量羧酸聚合物阻垢剂效果评价和理论研究

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