含有醚基的羧酸聚合物在人工海水中的阻垢性能:实验与 MD 模拟

IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL
Jiajia Zhang, Xueni Sun, Hui Shao
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引用次数: 0

摘要

羧酸聚合物在含盐量较高的海水系统中分散性较低,导致阻垢效率降低。为解决这一问题,以α-烯丙基甘油醚(AG)和含有不同数量羧基的乙烯基单体(丙烯酸[AA]、马来酸[MA]、衣康酸[IA]和乌头酸[ANA])为原料,通过自由基聚合制备了一系列含有醚基的羧酸聚合物,并研究了它们在人工海水中的阻垢性能。静态测试结果表明,IA-AG 的阻垢性能优于其他三种含醚羧酸聚合物,CaCO3 和 CaSO4 的阻垢率分别为 95.16% 和 98.73%。此外,通过模拟醚羧酸聚合物与晶体表面的相互作用,采用分子动力学(MD)模拟研究了阻垢机理。结果表明,聚合物与晶面的结合能顺序为 IA-AG > ANA-AG > MA-AG > AA-AG。模拟结果与实验现象一致。聚合物可以克服自身变形吸附在晶体表面,从而抑制鳞片的生长。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Scale inhibition performance of carboxylic acid polymers containing ether groups in artificial seawater: Experiments and MD simulation

The lowered dispersibility of carboxylic acid polymers in the seawater system with high salt content results in reduced scale inhibition efficiency. To solve this problem, a series of carboxylic acid polymers containing ether groups were prepared by free radical polymerization using α-allyl glycerol ether (AG) and vinyl monomers containing different numbers of carboxylic acid groups (acrylic acid [AA], maleic acid [MA], itaconic acid [IA], and aconitic acid [ANA]) as raw materials, and their scale inhibition properties in artificial seawater were studied. The static test results demonstrate that IA-AG outperforms the other three polymers containing ether carboxylic acid in terms of scale inhibition performance, with CaCO3 and CaSO4 having scale inhibition rates of 95.16% and 98.73%, respectively. Furthermore, molecular dynamics (MD) simulation was employed to investigate the mechanism of scale inhibition by simulating the interaction between ether carboxylic acid polymers and the crystal surface. The results show that the order of binding energy between polymers and crystal faces is IA-AG > ANA-AG > MA-AG > AA-AG. The simulation results are in agreement with the experimental phenomena. The polymers can overcome their own deformation and adsorb on the crystal surfaces, thus inhibiting the growth of scale.

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来源期刊
自引率
11.10%
发文量
111
期刊介绍: Asia-Pacific Journal of Chemical Engineering is aimed at capturing current developments and initiatives in chemical engineering related and specialised areas. Publishing six issues each year, the journal showcases innovative technological developments, providing an opportunity for technology transfer and collaboration. Asia-Pacific Journal of Chemical Engineering will focus particular attention on the key areas of: Process Application (separation, polymer, catalysis, nanotechnology, electrochemistry, nuclear technology); Energy and Environmental Technology (materials for energy storage and conversion, coal gasification, gas liquefaction, air pollution control, water treatment, waste utilization and management, nuclear waste remediation); and Biochemical Engineering (including targeted drug delivery applications).
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