Multiphase Multicomponent Lattice Boltzmann Method for Modelling Wetting on Liquid Infused Surfaces

用于模拟液体注入表面润湿的多相多组分格子玻尔兹曼方法

• 批准号: EP/V034154/1
• 负责人: Halim Kusumaatmaja
• 金额: $ 146.68万
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Fellowship
• 财政年份: 2021
• 资助国家: 英国
• 起止时间: 2021 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FV034154%2F1
• 关键词: Multiphase; Multicomponent; Lattice; Boltzmann; Method

Liquid infused surfaces (LIS) are a novel class of surfaces inspired by nature (pitcher plants) that repel any kind of liquid. LIS are constructed by impregnating rough, porous or textured surfaces with wetting lubricants, thereby conferring them advantageous surface properties including self-cleaning, anti-fouling, and enhanced heat transfer. These functional surfaces have the potential to solve a wide range of societal, environmental and industrial challenges. Examples range from household food waste, where more than 20% is due to packaging and residues; to mitigating heat exchanger fouling, estimated to be responsible for 2.5% of worldwide CO2 emissions.Despite their significant potential, however, to date LIS coatings are not yet viable in practice for the vast majority of applications due to their lack of robustness and durability. At a fundamental level, the presence of the lubricant gives rise to a novel but poorly understood class of wetting phenomena due to the rich interplay between the thin lubricant film dynamics and the macroscopic drop dynamics, such as an effective long-range interaction between droplets and delayed coalescence. It also leads to numerous open challenges unique to LIS, such as performance degradation due to lubricant depletion.Integral to this EPSRC Fellowship project is an innovative numerical approach based on the Lattice Boltzmann method (LBM) to solve the equations of motion for the fluids. A key advantage of LBM is that key coarse-grained molecular information can be incorporated into the description of interfacial phenomena, while remaining computationally tractable to study the macroscopic flow dynamics relevant for LIS. LBM is also highly flexible to account for changes in the interface shape and topology, complex surface geometry, and it is well-suited for high performance computing. The developed simulation framework will be the first that can fully address the complexity of wetting dynamics on LIS, and the code will be made available open source through OpenLB. Harnessing the LBM simulations and supported by experimental data from four project partners, I will provide the much-needed step change in our understanding of LIS. The expected outcomes include: (i) design criteria that minimise lubricant depletion, considered the main weakness of LIS; (ii) new insights into droplet and lubricant meniscus dynamics on LIS across a wide range of lubricant availability and wettability conditions; and (iii) quantitative models for droplet interactions on LIS mediated by the lubricant. These key challenges are shared by the majority, if not all, of LIS applications. Addressing them is the only way forward to better engineer the design of LIS.Finally, the computational tools and fundamental insights developed in the project will be exploited to explore two potentially disruptive technologies based on LIS, which are highly relevant for the energy-water-environment nexus in sustainable development. First, I will investigate application in carbon capture, exploiting how liquids can be immobilised in LIS with a large surface to volume ratio, in collaboration with ExxonMobil. More specifically, liquid amine-based CO2 capture is an important and commercially practised method, but the costly infrastructure and operation prohibit its widespread implementation. Excitingly, LIS may provide a solution to a more economical carbon capture method using liquid amine. Second, motivated by the current gap of 47% in global water supply and demand, as well as environmental pressure to reduce the use of surfactants, I will examine new approaches to clean in collaboration with Procter & Gamble. The key idea is to induce dewetting of unwanted liquid droplets on solid surfaces using a thin film of formulation liquid, thus introducing wettability alteration more locally and using much reduced resources.

液体注入表面（LIS）是一类受大自然（猪笼草）启发的新型表面，可以排斥任何液体。LIS是通过在粗糙、多孔或有纹理的表面上浸渍润湿润滑剂来构建的，从而赋予它们有利的表面特性，包括自清洁、防污和增强的传热。这些功能性表面具有解决广泛的社会、环境和工业挑战的潜力。例如，家庭食物垃圾，其中20%以上是由于包装和残留物；以减轻热交换器污垢，据估计占全球二氧化碳排放量的2.5%。然而，尽管具有巨大的潜力，迄今为止，由于缺乏坚固性和耐用性，LIS涂层在绝大多数应用中尚不可行。在基本层面上，由于润滑薄膜动力学和宏观液滴动力学之间的丰富相互作用，例如液滴之间的有效远程相互作用和延迟聚并，润滑剂的存在产生了一种新的但鲜为人知的润湿现象。这也导致了LIS独有的许多开放挑战，例如由于润滑剂耗尽而导致的性能下降。这个EPSRC奖学金项目的组成部分是基于晶格玻尔兹曼方法（LBM）的创新数值方法来解决流体的运动方程。LBM的一个关键优势是可以将关键的粗粒度分子信息纳入界面现象的描述中，同时保持计算易于处理，以研究与LIS相关的宏观流动动力学。LBM还具有高度的灵活性，可以考虑界面形状和拓扑结构的变化，复杂的表面几何形状，并且非常适合高性能计算。开发的仿真框架将是第一个能够完全解决LIS上润湿动力学复杂性的框架，其代码将通过OpenLB开放源代码。利用LBM模拟和来自四个项目合作伙伴的实验数据的支持，我将为我们对LIS的理解提供急需的阶段性变化。预期结果包括：(i)最大限度地减少润滑油损耗的设计标准，这被认为是LIS的主要弱点；（ii）在广泛的润滑剂可用性和润湿性条件下，对液滴和润滑剂半月板动力学的新见解；（iii）润滑油介导的液滴在LIS上相互作用的定量模型。大多数（如果不是全部的话）LIS应用程序都面临着这些关键挑战。解决这些问题是更好地设计LIS的唯一途径。最后，将利用项目中开发的计算工具和基本见解来探索基于LIS的两种潜在的颠覆性技术，这两种技术与可持续发展中的能源-水-环境关系高度相关。首先，我将研究碳捕获的应用，探索如何将液体固定在具有大表面体积比的LIS中，与埃克森美孚合作。更具体地说，液态胺基二氧化碳捕获是一种重要的商业实践方法，但昂贵的基础设施和操作阻碍了其广泛实施。令人兴奋的是，LIS可能为使用液态胺的更经济的碳捕获方法提供解决方案。其次，由于目前全球水资源供需缺口达47%，以及减少表面活性剂使用的环境压力，我将与宝洁公司合作研究清洁的新方法。关键思想是使用配方液体薄膜诱导固体表面上不需要的液滴脱湿，从而更局部地引入润湿性改变，并使用更少的资源。

项目成果

Spontaneous phase separation of ternary fluid mixtures.

三元流体混合物的自发相分离。

• DOI: 10.1039/d2sm00413e
• 发表时间: 2022
• 期刊: Soft matter
• 影响因子: 3.4
• 作者: Shek ACM

Rough capillary rise

• DOI: 10.1038/s42005-023-01160-w
• 发表时间: 2023-03
• 期刊: Communications Physics
• 影响因子: 5.5
• 作者: Jack R. Panter;A. Konicek;M. King;A. Jusufi;M. Yeganeh;H. Kusumaatmaja

OpenLB-Open source lattice Boltzmann code

OpenLB-开源格子玻尔兹曼代码

• DOI: 10.1016/j.camwa.2020.04.033
• 发表时间: 2021
• 期刊: Computers & Mathematics with Applications
• 影响因子: 2.9
• 作者: Krause M

Droplet Self-Propulsion on Slippery Liquid-Infused Surfaces with Dual-Lubricant Wedge-Shaped Wettability Patterns.

• DOI: 10.1021/acs.langmuir.3c02205
• 发表时间: 2023-11-07
• 期刊: LANGMUIR
• 影响因子: 3.9
• 作者: Pelizzari, Michele;McHale, Glen;Armstrong, Steven;Zhao, Hongyu;Ledesma-Aguilar, Rodrigo;Wells, Gary G.;Kusumaatmaja, Halim
• 通讯作者: Kusumaatmaja, Halim

Phase field simulation of liquid filling on grooved surfaces for complete, partial, and pseudo-partial wetting cases.

• DOI: 10.1063/5.0144886
• 发表时间: 2023-05
• 期刊: The Journal of chemical physics
• 作者: F. Oktasendra;A. Jusufi;A. Konicek;M. Yeganeh;Jack R. Panter;H. Kusumaatmaja