Analysis of Adsorption Behavior of Cations onto Quartz Surface by Electrical Double-layer Model

Kitamura, Akira; Fujiwara, Kenso; Yamamoto, Tadashi; Nishikawa, Sataro; Moriyama, Hirotake

doi:10.1080/18811248.1999.9726312

Cited by 70 publications

(34 citation statements)

References 20 publications

(11 reference statements)

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“…Coupling the Poisson-Boltzmann theory for the diffuse layer to surface complexation reactions [35,36] including the equilibrium constants as specified in Table 2, we can calculate the expected surface excess i for each ionic species, as shown in Fig. 7.…”

Section: Resultsmentioning

confidence: 99%

Detection of ion adsorption at solid–liquid interfaces using internal reflection ellipsometry

Wang

Zhao

Duits

et al. 2015

Sensors and Actuators B: Chemical

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Section: Resultsmentioning

confidence: 99%

Detection of ion adsorption at solid–liquid interfaces using internal reflection ellipsometry

Wang

Zhao

Duits

et al. 2015

Sensors and Actuators B: Chemical

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“…Many researchers have investigated the mechanisms of quartz dissolution in the presence of electrolytes (e.g., Bandstra and Brantley, 2008;Berger et al, 1994;Bickmore et al, 2008;Criscenti and Sverjensky, 2002;Dove, 1999;Dove and Nix, 1997;Dove and Colin, 2005;Gratz and Bird, 1993;House, 1994;Karlsson et al, 2001;Kitamura et al, 1999;Sahai and Sverjensky, 1997;Strandh et al, 1997;Wallace et al, 2010). Their results suggest hydrolysis of the Si-O br bond is affected strongly by the presence of the electrolytes.…”

Section: Introductionmentioning

confidence: 99%

Molecular-level mechanisms of quartz dissolution under neutral and alkaline conditions in the presence of electrolytes

Zhang

Liu

2014

Geochem. J.

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molecular-level mechanisms for many of these driving forces remain elusive.Quartz is the simplest and an abundant silicate mineral in the earth's crust. The study of its dissolution mechanism was expected to shed light on the dissolution mechanisms of other silicate minerals. However, it has been found that the dissolution mechanism of quartz is very different to that of other silicate minerals in several ways. For instance, the dissolution of most silicate minerals is insensitive in the presence of small amounts of electrolytes (NaCl, CaCl 2 ). However, experimental data show that at near-neutral pH conditions, quartz will dissolve up to 100 times faster in the presence of small amounts of alkali and alkaline earth electrolytes (e.g., Berger et al., 1994;Dove and Crerar, 1990;Dove and Elston, 1992;Dove, 1994Dove, , 1999Dove and Nix, 1997 The mechanisms of quartz dissolution are affected intricately by pH conditions and electrolyte types. Most previous studies have focused on the mechanisms of quartz dissolution under one specific condition (e.g., temperature, pH, saturation or electrolyte type); however, this study investigates molecular-level mechanisms under combinations of electrolyte and pH conditions, which are more complex but closer to the reality. Under neutral and alkaline pH conditions with Ca 2+ , Mg 2+ or Na + aqua ions in the solution, the dissolution of Q1 (Si) and Q2 (Si) sites on the quartz surface, which represents the predominant part of the quartz dissolution story, is investigated by first-principles quantum chemistry calculation methods. Our results confirm that quartz dissolution can be enhanced significantly by the presence of electrolytes under neutral pH conditions. However, under alkaline pH conditions, the surface complexes of aquo ions are different, depending on where and how those electrolytes bond onto the quartz surfaces. The energy barriers of all possible hydrolysis reaction pathways are calculated carefully. The activation energies for the reaction between the negatively charged quartz surface and H 2 O have never been reported before. Our results of activation energy are closer to experimental values than previous calculations have been, suggesting that the cluster models and theoretical levels used here are more reasonable. Such information provides a molecular-level understanding of the differences of quartz dissolution rates between pure water and ion-containing solutions.

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“…The boundary conditions governing the Poisson's equation are ψ s ( X ) = ψ RBL , where ψ RBL represents the solid‐aqueous solution potential obtained from the RBL model (Alizadeh & Wang, ). We note that the RBL model is, in fact, a modification of the electrical triple‐layer (ETL) model (Figure ; Kitamura et al, ; Leroy & Revil, ; Wang & Revil, ). In the RBL model, the local zeta potential is calculated based on the local electro‐chemical data for a layer at the vicinity of the solid‐aqueous solution interface.…”

Section: Mathematical Model and Numerical Methodsmentioning

confidence: 98%

Pore‐scale Study of Ion Transport Mechanisms in Inhomogeneously Charged Nanoporous Rocks: Impacts of Interface Properties on Macroscopic Transport

Alizadeh

Wang

2019

JGR Solid Earth

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The electrokinetic transport mechanisms of multispecies ions through 3‐D nanoporous rocks with chemical reaction at the solid‐aqueous solution interfaces are investigated. We systematically study the multiphysics transport phenomena by considering either inhomogeneous (local surface charge based on local pH and ion concentrations) or prescribed homogeneous surface charge at solid‐aqueous solution interface while the pores are screened via electric double layers. We develop a lattice Boltzmann numerical framework to solve the set of governing equations (Poisson‐Nernst‐Planck plus Navier–Stokes). Our modeling results reveal that the averaged local electric potential of the nanoporous rock is significantly underestimated (about 83%) when a homogeneous surface charge is prescribed based on the bulk solution properties. It is shown that increasing the porosity of the nanoporous media considerably increases the absolute values and inhomogeneity of the surface charge, which means that while the electric double layers screened the pores, increasing the porosity enhances the ion selectivity of the porous medium. When the scenario with inhomogeneous charge is taken into account, the predicted electroosmotic permeability and tortuosity are higher in comparison with the prescribed homogeneous case. Moreover, we have studied the electrostatic tortuosity, coupling coefficient, and the effective excess charge density of the nanoporous rocks. The results demonstrate that ignoring the inhomogeneity of surface charges may cause erroneous prediction of the ion transport through porous rocks with chemically active surfaces.

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Analysis of Adsorption Behavior of Cations onto Quartz Surface by Electrical Double-layer Model

Cited by 70 publications

References 20 publications

Detection of ion adsorption at solid–liquid interfaces using internal reflection ellipsometry

Detection of ion adsorption at solid–liquid interfaces using internal reflection ellipsometry

Molecular-level mechanisms of quartz dissolution under neutral and alkaline conditions in the presence of electrolytes

Pore‐scale Study of Ion Transport Mechanisms in Inhomogeneously Charged Nanoporous Rocks: Impacts of Interface Properties on Macroscopic Transport

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