Lamorgese Andrea, Mauri Roberto
DICI/University of Pisa, Largo Lazzarino 1, 56122 Pisa, Italy.
Entropy (Basel). 2018 Feb 14;20(2):125. doi: 10.3390/e20020125.
We simulate the diffusion-driven dissolution or growth of a single-component liquid drop embedded in a continuous phase of a binary liquid. Our theoretical approach follows a diffuse-interface model of partially miscible ternary liquid mixtures that incorporates the non-random, two-liquid (NRTL) equation as a submodel for the enthalpic (so-called excess) component of the Gibbs energy of mixing, while its nonlocal part is represented based on a square-gradient (Cahn-Hilliard-type modeling) assumption. The governing equations for this phase-field ternary mixture model are simulated in 2D, showing 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 is 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.
我们模拟了嵌入二元液体连续相中的单组分液滴的扩散驱动溶解或生长过程。我们的理论方法遵循部分互溶三元液体混合物的扩散界面模型,该模型将非随机双液体(NRTL)方程作为混合吉布斯自由能的焓(所谓过剩)分量的子模型,而其非局部部分基于平方梯度(Cahn-Hilliard型建模)假设来表示。对该相场三元混合物模型的控制方程进行了二维模拟,结果表明,对于嵌入二元液体连续相中的单组分液滴(该液滴与连续相的一种组分高度互溶,但与另一种组分基本不互溶),液滴的大小要么收缩至零,要么达到一个稳定值,这取决于混合物的整体组成是处于相图的单相区域还是不稳定范围。