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通过相场三元混合物模型研究扩散驱动的液体液滴在另一种连续相中溶解或生长。

Diffusion-Driven Dissolution or Growth of a Liquid Drop Embedded in a Continuous Phase of Another Liquid via Phase-Field Ternary Mixture Model.

机构信息

Department of Civil and Industrial Engineering/Chemical Engineering Section, Laboratory of Multiphase Reactive Flows, University of Pisa , Largo Lazzarino 1, 56122 Pisa, Italy.

出版信息

Langmuir. 2017 Nov 14;33(45):13125-13132. doi: 10.1021/acs.langmuir.7b02105. Epub 2017 Nov 1.

Abstract

We simulate the diffusion-driven dissolution or growth of a single-component (resp. two-component) drop embedded in a continuous phase of a binary (resp. single-component) liquid. Our theoretical approach follows a standard diffuse-interface model of partially miscible ternary liquid mixtures, which is based on a regular solution model assumption together with a Flory-Huggins and Cahn-Hilliard representation of the excess and nonlocal components of the Gibbs free energy of mixing. Based on 2D simulation results, we show that for a single-component drop embedded in a continuous phase of a binary liquid (which is highly miscible with either one component of the continuous phase but essentially immiscible with the other) the size of the drop can either shrink to zero or reach a stationary value, depending on whether the global composition of the mixture is within the one-phase region or the unstable range of the phase diagram. On the other hand, for an isolated two-component drop embedded in a continuous phase of a single-component liquid (which is essentially immiscible with either one component of the drop but miscible with the other) the size of the drop can either grow or shrink and, in particular, it will eventually go to zero if the global composition of the mixture is within the one-phase region; otherwise, for system locations in the unstable range the size of the drop tends to a constant value as the composition within the drop reaches its final equilibrium value.

摘要

我们模拟了单一组分(或双组分)液滴在二元(或单一组分)连续相中的扩散驱动溶解或生长。我们的理论方法遵循部分混溶性三元液体混合物的标准扩散界面模型,该模型基于正则溶液模型假设以及混合吉布斯自由能的过剩和非局部成分的弗洛里-欣格尔和卡恩-希尔德表述。基于二维模拟结果,我们表明,对于嵌入在二元液体连续相中的单一组分液滴(与连续相的任何一种成分高度混溶,但与另一种成分基本不混溶),液滴的大小要么收缩到零,要么达到稳定值,这取决于混合物的整体组成是在单相区还是相图的不稳定范围内。另一方面,对于嵌入在单一组分液体连续相中的孤立双组分液滴(与液滴的任何一种成分基本不混溶,但与另一种成分混溶),液滴的大小要么增大要么收缩,特别是,如果混合物的整体组成在单相区,液滴最终会缩小到零;否则,对于系统在不稳定范围内的位置,随着液滴内的组成达到其最终平衡值,液滴的大小趋于一个恒定值。

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