Effect of nanoporous confinement on the phase behaviour of aqueous solutions

纳米孔限制对凝聚态物质基本性质的影响是众多的。在过去的二十年里，从大量的研究中已经获得了对纳米约束流体的相行为、动力学和传输性质的一般理解，这些研究已经解决了不同的方面，例如毛细管冷凝、冻结/熔化、玻璃态动力学、分子扩散和液体吸胀。然而，众所周知，纯（一元）受限流体的经典描述未能完全捕获多组分系统所达到的复杂性的上层。例如，它最近表明，经典热力学，结合吉布斯-汤姆逊和拉乌尔定律无法解释实验相行为的二元nanoconfined解决方案。在这种情况下，该项目的最终目标是阐明和模拟不同的现象，决定了纳米多孔材料中水溶液的相行为（蒸汽/液体/玻璃/晶体）。这需要解决的重要方面，包括结构和动力学，发挥次要作用，或根本不相关的以前的物理研究的一元封闭的液体。我们的项目将受益于精心设计的先进的多孔材料，将被用作模型系统，以产生和控制在/均匀特性的限制阶段。这将允许研究多分散孔隙度的影响，如获得与分级多孔材料，或空间调制的表面相互作用，如获得与多孔材料交替的疏水/亲水区域。有机分子，分子离子和无机盐将被用作一个面板的溶质与可控的大小，极化和亲水性的字符。

The effects of nanoporous confinement on the fundamental properties of condensed matter are numerous. A general understanding of the phase behaviour, dynamic and transport properties of nanoconfined fluids has been acquired for the last two decades from abundant studies that have addressed different aspects such as the capillary condensation, freezing/melting, glassy dynamics, molecular diffusion and liquid imbibition. However, it is notorious that classical descriptions of pure (unary) confined fluids fail to capture entirely the upper level of complexity attained with multicomponent systems. For example, it was recently shown that classical thermodynamics, combining Gibbs-Thomson and Raoult’s laws fail to explain the experimental phase behaviour of binary nanoconfined solutions. In this context, the ultimate aim of the project is to elucidate and model the different phenomena that dictate the phase behaviour (vapor/liquid/glass/crystal) of aqueous solutions in nanoporous materials. This requires addressing important aspects, covering structure and dynamics that have played secondary role or that were simply not relevant for previous physical studies of unary confined liquids. Our project will benefit from carefully designed advanced porousmaterials that will be used as model systems to generate and control the in/homogeneous character of the confined phases. This will allow studying the effects of polydispersed porosity as obtained with hierarchical porous materials, or spatially modulated surface interactions as obtained with porous materials alternating hydrophobic/hydrophilic regions.Organic molecules, molecular ions and inorganic salts will be used as a panel of solutes with controllable size, polarizability and hydrophilic character.