模拟电界面极化效应及其对沉积岩复杂介电常数测量的相应影响的新数值模拟框架

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2023-12-19 DOI:10.1007/s11004-023-10124-3
Artur Posenato Garcia, Zoya Heidari
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引用次数: 0

摘要

由于沉积岩中的亚兆赫电气测量主要受界面极化机制的影响,因此透彻了解极化机制之间的相互作用对于解释电气测量结果至关重要。然而,岩石物理学模型过于简化了孔隙网络的几何形状以及与相邻晶粒有关的电双层的相互作用。数值算法是描述沉积岩电响应的最佳框架,避免了岩石物理模型的固有限制。最近推出的一种算法可以模拟电场与溶液中离子的相互作用。沉积岩中的亚千赫介电常数增强主要是由斯特恩层极化引起的,但与斯特恩层相关的极化机制模型尚未建立。因此,本文旨在开发和测试一个数值模拟框架,以量化斯特恩层和扩散层极化、温度、离子浓度和孔隙网络几何形状对多频复杂电学测量的影响。该算法在时域中数值求解泊松-奈恩斯特-普朗克方程和矿物依赖的电化学吸附/解吸平衡模型,以确定表面电荷分布。然后,利用数值模拟器进行敏感性分析,量化电解质和界面特性对不同频率下孔隙尺度样品介电常数的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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A New Numerical Simulation Framework to Model the Electric Interfacial Polarization Effects and Corresponding Impacts on Complex Dielectric Permittivity Measurements in Sedimentary Rocks

A thorough understanding of the interplay between polarization mechanisms is pivotal for the interpretation of electrical measurements, since sub-megahertz electrical measurements in sedimentary rocks are dominated by interfacial polarization mechanisms. Nonetheless, rock-physics models oversimplify pore-network geometry and the interaction of electric double layers relating to adjacent grains. Numerical algorithms present the best possible framework in which to characterize the electrical response of sedimentary rocks, avoiding the constraints intrinsic to rock-physics models. Recently, an algorithm was introduced that can simulate the interactions of electric fields with the ions in solution. The sub-kilohertz permittivity enhancement in sedimentary rocks is dominated by Stern-layer polarization, but a model for the polarization mechanism associated with the Stern layer has not been developed. Hence, the aim of this paper is to develop and test a numerical simulation framework to quantify the influence of Stern- and diffuse-layer polarization, temperature, ion concentration, and pore-network geometry on multi-frequency complex electrical measurements. The algorithm numerically solves the Poisson–Nernst–Planck equations in the time domain and a mineral-dependent electrochemical adsorption/desorption equilibrium model to determine surface charge distribution. Then, the numerical simulator is utilized to perform a sensitivity analysis to quantify the influence of electrolyte and interfacial properties on the permittivity of pore-scale samples at different frequencies.

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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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