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Impact of dissolved ions on hydration layers at the solid-liquid interface of carbonates

溶解离子对碳酸盐固液界面水化层的影响

基本信息

批准号：
312143056
负责人：
Professorin Dr. Angelika Kühnle
金额：
--
依托单位：
Institut für Physikalische Chemie (aufgelöst)
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2016
资助国家：
德国
起止时间：
2015-12-31 至 2019-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/312143056?language=en
关键词：
Impact dissolved ions hydration layers

项目摘要

Interfacial water plays a key role in a large range of fields, including geochemistry and environmental science as well as corrosion protection and catalysis. The detailed knowledge of the surface composition and the local water structure is decisive for understanding and predicting interfacial chemistry processes.While it is well established, e.g., from surface-specific spectroscopy studies that the local hydration structure at an interface is commonly different from the bulk structure, the detailed arrangement remains a topic of intense research. Only very recently, atomic force microscopy (AFM) instrumentation has been further advanced to provide three-dimensional (3D), molecular-level information of the local ordering at the solid-liquid interface in direct space. This technique now offers the unique capability for directly mapping the hydration layers at the interface.In this project, we will investigate the hydration layers on four different surfaces using a state-of-the-art 3D hydration layer mapping AFM. The focus will be on three different carbonate surfaces, namely the most stable cleavage planes of calcite, dolomite and magnesite. Besides being highly relevant for natural and technical processes, these surfaces provide an ideal system to systematically study the influence of changing the unit cell lattice dimensions on the hydration layer structure. As a fourth substrate, chemically and structurally different calcium fluoride will be studied as a prominent system that can be benchmarked against existing nonlinear vibrational spectroscopy studies.It is generally accepted that the presence of dissolved ions can alter the hydration layer structure, however, the details of this perturbation are still largely unknown. In this project, we will elucidate the impact of dissolved ions on the hydration layer structure at the solid-liquid interface. We will investigate the influence of both concentration (ionic strength) and chemical nature (mono- and bivalent ions, different ionic radii and polarizabilities) of ions on the structure of the hydration layers at the interface.This project will provide detailed, molecular-scale knowledge of the composition of the interface, including the solid surface, hydration layers and additional ions. These experimental insights, combined with molecular dynamics simulations, will constitute an essential step forward for understanding and predicting fundamental interfacial processes.

界面水在地球化学、环境科学、腐蚀防护和催化等诸多领域中起着关键作用。表面组成和局部水结构的详细知识对于理解和预测界面化学过程是决定性的。虽然它是公认的，例如，根据表面特异性光谱学研究，界面处的局部水合结构通常不同于本体结构，详细排列仍然是深入研究的主题。直到最近，原子力显微镜（AFM）仪器已进一步先进，以提供三维（3D），分子水平的信息，在直接空间中的固液界面的局部有序。这项技术现在提供了独特的能力，直接映射的水化层在interfaces.In该项目中，我们将调查水化层在四个不同的表面上使用一个国家的最先进的三维水化层映射AFM。重点将放在三个不同的碳酸盐表面，即方解石，白云石和菱镁矿的最稳定的解理面。除了与自然和技术过程高度相关外，这些表面还提供了一个理想的系统，可以系统地研究改变晶胞晶格尺寸对水化层结构的影响。作为第四种基质，化学和结构不同的氟化钙将作为一个突出的系统，可以对现有的非线性振动光谱研究进行基准研究。人们普遍认为，溶解离子的存在可以改变水化层的结构，然而，这种扰动的细节仍然是未知的。在这个项目中，我们将阐明溶解离子对固液界面水化层结构的影响。我们将研究离子的浓度（离子强度）和化学性质（一价和二价离子，不同的离子半径和极化率）对界面水化层结构的影响。该项目将提供详细的，分子尺度的界面组成知识，包括固体表面，水化层和附加离子。这些实验的见解，结合分子动力学模拟，将构成一个重要的一步，了解和预测基本的界面过程。