{"title":"Reaction-limited evaporation for the color-gradient lattice Boltzmann model.","authors":"Gaurav Nath, Othmane Aouane, Jens Harting","doi":"10.1063/5.0253799","DOIUrl":null,"url":null,"abstract":"<p><p>We propose a reaction-limited evaporation model within the color-gradient lattice Boltzmann (LB) multicomponent framework to address the lack of intrinsic evaporation mechanisms. Unlike diffusion-driven approaches, our method directly enforces mass removal at the fluid interface in a reaction-limited manner while maintaining numerical stability. Using the inherent color-gradient magnitude and a single adjustable parameter, evaporation sites are chosen in a computationally efficient way with seamless mass exchange between the components, with no change to the core algorithm. Extensive validation across diverse interface geometries and evaporation flux magnitudes demonstrates high accuracy, with errors below 5% for unit density ratios. For density contrasts, the method remains robust in the limit of smaller evaporation flux magnitudes and density ratios. Our approach extends the applicability of the color-gradient LB model to scenarios involving reaction-limited evaporation, such as droplet evaporation on heated substrates, vacuum evaporation of molten metals, and drying processes in porous media.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"162 11","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0253799","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
We propose a reaction-limited evaporation model within the color-gradient lattice Boltzmann (LB) multicomponent framework to address the lack of intrinsic evaporation mechanisms. Unlike diffusion-driven approaches, our method directly enforces mass removal at the fluid interface in a reaction-limited manner while maintaining numerical stability. Using the inherent color-gradient magnitude and a single adjustable parameter, evaporation sites are chosen in a computationally efficient way with seamless mass exchange between the components, with no change to the core algorithm. Extensive validation across diverse interface geometries and evaporation flux magnitudes demonstrates high accuracy, with errors below 5% for unit density ratios. For density contrasts, the method remains robust in the limit of smaller evaporation flux magnitudes and density ratios. Our approach extends the applicability of the color-gradient LB model to scenarios involving reaction-limited evaporation, such as droplet evaporation on heated substrates, vacuum evaporation of molten metals, and drying processes in porous media.
期刊介绍:
The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance.
Topical coverage includes:
Theoretical Methods and Algorithms
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Liquids, Glasses, and Crystals
Surfaces, Interfaces, and Materials
Polymers and Soft Matter
Biological Molecules and Networks.