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Frequency and water saturation dependency of dielectric properties of clay mineral

机译:粘土矿物介电性能的频率和水饱和度依赖性

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An investigation of the frequency dependent dielectric polarizability of water molecules bound to clay mineral surfaces using molecular dynamic simulation is essential to improve understanding of the bulk electrical transport properties of shales in petrophysics and other clay science. The aim of the present study was to quantify the frequency-dependence of the complex permittivity of K+-smectite partially and fully saturated with water and to determine the relaxation frequency of the K+-smectite for pore size of similar to 1 nm and smectite matrix basal space of 1.66 nm with water saturations that varied from 20 to 100 wt% using molecular dynamics simulations. The simulation results of the dielectric spectra showed an unchanged polarization mechanism occurring within the K+-smectite with nano pore size, characterized by a water saturation dependent static permittivity. The characteristic frequency of the dielectric relaxation was found to be similar to 30 GHz for the system studied. The permittivity relaxation was found to be non-Debye type relaxation, with a circular arc locus providing a good representation of the simulated data. The deviation from pure Debye behavior reduced and the dielectric permittivity became much more significant as water saturation increases. The results presented here identified the dielectric relaxation as resulting from the orientational correlation of the water molecules near the K+-smectite surface and gave support to the idea that the relaxation frequency reflects the dimension of pores. This work constituted a novel contribution to the dielectric spectra of overall wet K+-smectite by extending the dielectric behavior of the clay mineral-water system to a microscopic level description.
机译:利用分子动态模拟对粘土矿物表面结合的水分子的频率依赖性介电偏热性的研究对于改善岩石物理学和其他粘土科学的散装电力运输特性的理解至关重要。本研究的目的是量化k + -smectite的复杂介电常数的频率依赖性部分和完全饱和水,并确定孔径的K + -smectite的弛豫频率与1nm和蒙脱石基质基础相似1.66nm的空间,水饱和的水饱和度使用分子动力学模拟从20到100wt%变化。介电光谱的仿真结果显示出在K + -Smectite内发生的不变偏振机构,其具有纳米孔径,其特征在于水饱和静电介电常数。发现介电弛豫的特征频率类似于所研究的系统的30GHz。发现介电常数松弛是非德语型弛豫,具有圆弧基因座,提供模拟数据的良好表示。随着水饱和度的增加,纯德比行为的偏差降低,介电介电常数变得更加重要。这里呈现的结果鉴定了由k + -smectite表面附近的水分子的取向相关性产生的介电弛豫,并对弛豫频率反射孔的尺寸来提供支持。通过将粘土矿泉水系统的介电行为延伸到微观水平描述,这项工作构成了对整个湿k + -smectite的介电光谱的新贡献。

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