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Computer simulation of water molecules at kaolinite and silica surfaces

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface

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Characterisation of adsorbed polymer layers using NMR solvent diffusion studies

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Monte Carlo Simulations of Surface Hydration: An Application to Clay Wetting

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Periodic ab initio Hartree-Fock calculations of the low-symmetry mineral kaolinite

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Monte Carlo Molecular Modeling Studies of Hydrated Li-, Na-, and K-Smectites: Understanding the Role of Potassium as a Clay Swelling Inhibitor

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Molecular Dynamics Modeling of Clay Minerals. 1. Gibbsite, Kaolinite, Pyrophyllite, and Beidellite

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Deuteron Relaxation Dispersion in Aqueous Colloidal Silica

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A Molecular Dynamics Study of Structure and Short-time Dynamics of Water in Kaolinite

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Structure and Dynamics of Simple Liquids in Heterogeneous Condition: An NMR Study of the Clay-Water Interface

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Computer Simulation of Interlayer Molecular Structure in Sodium Montmorillonite Hydrates

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Molecular Modeling of Clay Hydration: A Study of Hysteresis Loops in the Swelling Curves of Sodium Montmorillonites

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Monte Carlo and Molecular Dynamics Simulations of Interfacial Structure in Lithium-Montmorillonite Hydrates

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Monte Carlo and Molecular Dynamics Simulations of Electrical Double-Layer Structure in Potassium−Montmorillonite Hydrates

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Molecular Computer Simulations of the Swelling Properties and Interlayer Structure of Cesium Montmorillonite

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Atomistic simulation of adsorption of water on three-, four- and five-coordinated surface sites of magnesium oxide

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Comparison of simple potential functions for simulating liquid water

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Molecular dynamics with coupling to an external bath

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Computer simulation of interlayer water in 2:1 clays

inferredcites →https://doi.org/10.1063/1.473689openalex-snapshot

A Monte Carlo (N,V,T) study of the stability of charged interfaces: A simulation on a hypersphere

inferredcites →https://doi.org/10.1080/00268978200101361openalex-snapshot

Spectroscopic and transport properties of water

inferredcites →https://doi.org/10.1080/01418617908236887openalex-snapshot

The surface energies, surface tensions and surface structure of the alkali halide crystals

inferredcites →https://doi.org/10.1097/00010694-199805000-00006openalex-snapshot

MODELING CA/K EXCHANGE KINETICS ON MONTMORILLONITE AND VERMICULITE

inferredcites →https://doi.org/10.1126/science.271.5252.1102openalex-snapshot

The Swelling of Clays: Molecular Simulations of the Hydration of Montmorillonite

inferredcites →https://doi.org/10.1180/002646198548043openalex-snapshot

Computer simulation of aqueous pore fluids in 2:1 clay minerals

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Hydrogen Atom Positions in Kaolinite by Neutron Profile Refinement

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Verification of the Triclinic Crystal Structure of Kaolinite

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Determination of Surface Free Energy of Kaolinite

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Influence of Exchangeable Cations on the Surface Free Energy of Kaolinite as Determined from Contact Angles

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Rietveld Refinement of Non-Hydrogen Atomic Positions in Kaolinite

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Monte Carlo Simulation of Interlayer Molecular Structure in Swelling Clay Minerals. 1. Methodology

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Monte Carlo Simulation of Interlayer Molecular Structure in Swelling Clay Minerals. 2. Monolayer Hydrates

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Modeling Adsorption-Desorption Processes of Cd on Montmorillonite

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Local Probing of the Nanoscale Hydration Landscape of Kaolinite Basal Facets in Presence of Ions

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Layer-Resolved T 1/ T 2 Relaxation Resolves Weakly Adsorbed Transition Layer of n -Octane in Hydroxylated Quartz Nanopores

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Deformation of Microporous Carbon Adsorbent Sorbonorit-4 during Methane Adsorption

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Molecular Dynamics Simulations of Water Confined in Calcite Slit Pores: An NMR Spin Relaxation and Hydrogen Bond Analysis

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Calculation of Entropy of Adsorption for Small Molecules on Mineral Surfaces

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Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores

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