Reaction-limited evaporation for the color-gradient lattice Boltzmann model.

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Gaurav Nath, Othmane Aouane, Jens Harting
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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.

颜色梯度晶格玻尔兹曼模型的反应限制蒸发。
我们提出了一个在颜色梯度晶格玻尔兹曼(LB)多组分框架内的反应限制蒸发模型,以解决缺乏内在蒸发机制的问题。与扩散驱动的方法不同,我们的方法在保持数值稳定性的同时,以反应有限的方式直接在流体界面上强制去除质量。利用固有的颜色梯度大小和单个可调参数,在不改变核心算法的情况下,以计算效率高的方式选择蒸发位置,在组件之间进行无缝的质量交换。对不同界面几何形状和蒸发通量大小的广泛验证表明,该方法具有很高的准确性,单位密度比的误差低于5%。对于密度对比,该方法在较小的蒸发通量量级和密度比的限制下仍然具有鲁棒性。我们的方法将颜色梯度LB模型的适用性扩展到涉及反应限制蒸发的场景,例如加热基板上的液滴蒸发,熔融金属的真空蒸发以及多孔介质中的干燥过程。
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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
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.
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