多尺度视角下剪切力对碳酸钙污垢生长的影响综述

Review of the Influence of Shear Force on Calcium Carbonate Fouling Growth from a Multi-Scale Perspective

摘要: 工业系统中，碳酸钙结垢会显著削弱传热与流体输送性能，加速设备磨损并抬高维护费用。作为流动场的核心参数，剪切力在成垢的成核、生长及界面黏附各阶段均表现出跨尺度调控效应。本文整合分子动力学模拟与实验结果，梳理从分子、介观到宏观层面剪切力对碳酸钙–壁面相互作用的影响，重点通过批判性分析揭示文献矛盾本质，并构建抗垢添加剂多尺度作用逻辑线：分子层面，剪切力通过改变离子吸附构型、晶核稳定性及界面水网络左右初始成核，添加剂可通过位点竞争或键合调控干预该过程；介观层面，剪切力主导聚集体“生成–破碎–再团聚”动态平衡及颗粒与壁面的碰撞附着，添加剂能通过空间位阻或选择性吸附重塑聚集体行为；宏观层面，剪切力通过“沉积–剥离”竞争决定垢层最终形貌与结合强度，添加剂可通过结构调控或界面改性优化宏观抗垢效果。尽管分子模拟在揭示微观机理方面优势明显，但其仍受限于模拟尺度、流场真实性及添加剂–界面作用描述的不足。本文期望为工业抗垢材料选型与运行工况优化提供理论支撑，并指出分子动力学方法的改进路径。

Abstract: In industrial systems, calcium carbonate scaling can significantly impair heat transfer and fluid conveyance capabilities, accelerate equipment wear and tear, and increase maintenance costs. As a core parameter of flow fields, shear stress has regulatory effects at all stages of scale nucleation, growth and interfacial adhesion. This paper uses a combination of molecular dynamics simulations and experimental findings to analyse the influence of shear stress on calcium carbonate–wall interactions across molecular, mesoscopic, and macroscopic scales. Contradictions in the literature are critically analysed and resolved, establishing a multiscale logic for anti-scaling additives. At the molecular level, shear stress governs initial nucleation by altering ionic adsorption configurations, crystal nucleus stability and interfacial water networks. Additives can intervene through site competition or bonding regulation. At the mesoscopic level, shear force governs the dynamic equilibrium of the “formation - disruption - reagglomeration” process of aggregates and their adhesion to walls. Additives can influence aggregate behaviour through steric hindrance or selective adsorption. At the macroscopic level, shear force determines the final morphology of the scale and the strength of the bonding via “deposition - detachment” competition. Additives can optimise macroscopic anti-scaling efficacy through structural regulation or interfacial modification. While molecular simulations offer distinct advantages in elucidating micro-mechanisms, they are limited by constraints in simulation scale, flow field fidelity and inadequate characterisation of additive-interface interactions. This paper aims to provide the theoretical basis for selecting antifouling materials on an industrial scale and optimising operational conditions, while identifying ways to enhance molecular dynamics methodologies.