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基于分子动力学模拟的方解石对聚丙烯酰胺吸附的参数研究

Parametric Studies of Polyacrylamide Adsorption on Calcite Using Molecular Dynamics Simulation.

作者信息

Hue Keat Yung, Lew Jin Hau, Matar Omar K, Luckham Paul F, Müller Erich A

机构信息

Department of Chemical Engineering, Imperial College London, London SW7 2AZ, UK.

出版信息

Molecules. 2025 Jan 13;30(2):285. doi: 10.3390/molecules30020285.

Abstract

This study investigates the efficacy of polyacrylamide-based polymers, specifically hydrolysed polyacrylamide (HPAM), in reducing solids production within carbonate reservoirs. Building on our earlier simulation approach, molecular simulations were conducted to examine how these polymers adsorb onto calcite, the main mineral found in carbonate formations. The adsorption process was affected by several factors, including polymer molecular weight, charge density, temperature, and salinity. Generally, increased molecular weight, charge density, and temperature resulted in higher adsorption rates. The effect of salinity was more nuanced, as salt-bridging and charge-screening effects created competing influences. The simulation outcomes correspond closely with experimental results, offering valuable insights for designing and optimizing polymer-based strategies aimed at controlling solids production in carbonate reservoirs.

摘要

本研究调查了基于聚丙烯酰胺的聚合物,特别是水解聚丙烯酰胺(HPAM),在减少碳酸盐岩储层中固体产出方面的功效。基于我们早期的模拟方法,进行了分子模拟,以研究这些聚合物如何吸附到方解石上,方解石是碳酸盐岩地层中发现的主要矿物。吸附过程受到几个因素的影响,包括聚合物分子量、电荷密度、温度和盐度。一般来说,分子量、电荷密度和温度的增加导致更高的吸附速率。盐度的影响更为微妙,因为盐桥和电荷屏蔽效应产生了相互竞争的影响。模拟结果与实验结果密切对应,为设计和优化旨在控制碳酸盐岩储层固体产出的基于聚合物的策略提供了有价值的见解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2860/11767760/a040c0f2a5f7/molecules-30-00285-g001.jpg

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