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.

液体注入的表面（LIS）是一类新型的表面，灵感来自自然（投手植物），它们排斥任何类型的液体。 LI是通过用润湿剂浸入粗糙，多孔或纹理表面来构建的，从而赋予它们具有优势的表面特性，包括自我清洁，防污和增强的传热。这些功能表面有可能解决广泛的社会，环境和工业挑战。例子范围从家庭食物浪费范围，其中20％以上是由于包装和残留物所致；为了减轻热交换器结垢，估计是造成全球2.5％的二氧化碳排放量的2.5％。尽管如此，由于其缺乏可靠性和耐用性，因此，在迄今为止，迄今为止，LIS涂料在实践中尚不可行。在基本水平上，由于薄润滑剂膜动力学与宏观下降动力学之间的丰富相互作用，润滑剂的存在引起了一种新颖但知之甚少的润湿现象，例如液滴和延迟聚结之间的有效远距离相互作用。这也导致了LI所独有的许多开放挑战，例如由于润滑剂耗尽而导致的性能退化。该EPSRC奖学金项目的综合是一种基于晶格玻尔兹曼方法（LBM）的创新数值方法，以求解用于油的运动方程。 LBM的一个关键优点是，可以将关键的粗粒分子信息纳入界面现象的描述中，同时可以在计算上保持可研究与LIS相关的宏观流动动力学。 LBM也非常灵活地考虑了界面形状和拓扑，复杂的表面几何形状的变化，并且非常适合高性能计算。开发的仿真框架将是第一个可以充分解决LIS上润湿动力学复杂性的问题，并且该代码将通过OpenLB提供开源。利用LBM模拟并得到来自四个项目合作伙伴的实验数据的支持，我将在我们对LIS的理解中提供急需的步骤变化。预期的结果包括：（i）最小化润滑剂耗竭的设计标准被认为是LI的主要弱点； （ii）在广泛的润滑剂可用性和润湿条件下，对LIS上的液滴和润滑剂动态的新见解； （iii）润滑剂介导的LIS液滴相互作用的定量模型。这些主要挑战是由大多数（如果不是全部）应用程序所共有的。解决它们是更好地设计LIS设计的唯一途径。从最后，该项目中开发的计算工具和基本见解将被利用，以探索基于LIS的两种潜在破坏性技术，这与能源水域的环境在可持续发展方面非常相关。首先，我将研究在碳捕获中的应用，从而利用与埃克森美孚公司合作将液体固定在LIS中，其表面与体积比大。更具体地说，基于液体胺的CO2捕获是一种重要且商业上实用的方法，但是昂贵的基础设施和操作禁止其广泛的实施。令人兴奋的是，LI可以使用液体胺为更经济的碳捕获方法提供解决方案。其次，由于目前的全球供水和需求差距为47％，以及减少表面活性​​剂使用的环境压力，我将研究与Procter＆Gamble合作清洁的新方法。关键的想法是使用配方液的薄膜在固体表面上诱导不良液滴的侵蚀，从而更加局部引入润湿性改变，并使用大量减少的资源。

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