The Effect of Salinity on the Dielectric Permittivity of Nanoconfined Geofluids.

IF 2.9 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
ACS Earth and Space Chemistry Pub Date : 2024-11-05 eCollection Date: 2024-11-21 DOI:10.1021/acsearthspacechem.4c00210
Alireza Chogani, Helen E King, Aleksandar Živković, Oliver Plümper
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引用次数: 0

Abstract

Nanoporosity is a characteristic feature of geological formations that provides potential pathways for geofluids to meander and interact with minerals. Confinement of water within nanopores leads to unique phenomena. The dielectric constant of water becomes anisotropic and adopts tensorial properties rather than remaining a scalar value. In such nanoconfinement, it has been found that the permittivity of water decreases perpendicularly and increases parallel to the interface. As geofluids are rarely pure water in nature, being a water-salt(-gas) mixture within the Earth, it becomes pivotal to examine how these additional constituents of water affect the permittivity of fluids confined within the nanopores of rocks. In this study, we present the calculation of the permittivity of saline water in calcite slit nanopores using molecular dynamics simulations under low-pressure-temperature conditions. The dielectric properties are weakly dependent on salinity for both the perpendicular and parallel dielectric permittivity components. We analyzed the atomic charge and polarization density of the fluid perpendicular to the nanochannel walls and the orientation of water molecules' dipole inside the nanochannel. From our analysis, most of these factors were generally not altered significantly in the presence of salinity. These findings are significant because they enable us to use well-studied pure water properties under nanoconfinement to determine the geochemical behavior of fluids within natural nanoporous systems.

盐度对纳米约束地质流体介电常数的影响
纳米孔隙度是地质构造的一个特征,它为地质流体蜿蜒流动并与矿物相互作用提供了潜在途径。将水封闭在纳米孔隙中会产生独特的现象。水的介电常数变得各向异性,具有张量特性,而不再是标量值。研究发现,在这种纳米致密化过程中,水的介电常数在垂直于界面的方向上减小,而在平行于界面的方向上增大。由于地球流体在自然界中很少是纯水,而是地球内部的水盐(气)混合物,因此研究水的这些额外成分如何影响岩石纳米孔隙内流体的介电常数变得至关重要。在本研究中,我们利用分子动力学模拟,在低压-温度条件下计算了方解石狭缝纳米孔中盐水的介电常数。无论是垂直介电常数还是平行介电常数,介电性质都与盐度有微弱的关系。我们分析了垂直于纳米通道壁的流体原子电荷和极化密度以及纳米通道内水分子偶极子的取向。根据我们的分析,在盐度存在的情况下,这些因素中的大多数一般不会发生显著变化。这些发现意义重大,因为它们使我们能够利用在纳米融合条件下经过充分研究的纯水特性来确定天然纳米多孔系统内流体的地球化学行为。
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来源期刊
ACS Earth and Space Chemistry
ACS Earth and Space Chemistry Earth and Planetary Sciences-Geochemistry and Petrology
CiteScore
5.30
自引率
11.80%
发文量
249
期刊介绍: The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.
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