Understanding small biomolecule‐biomaterial interactions: A review of fundamental theoretical and experimental approaches for biomolecule interactions with …
Interactions between biomolecules and inorganic surfaces play an important role in natural
environments and in industry, including a wide variety of conditions: marine environment …
environments and in industry, including a wide variety of conditions: marine environment …
Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl–CaCl2) solutions
IC Bourg, G Sposito - Journal of colloid and interface science, 2011 - Elsevier
We report new molecular dynamics results elucidating the structure of the electrical double
layer (EDL) on smectite surfaces contacting mixed NaCl–CaCl 2 electrolyte solutions in the …
layer (EDL) on smectite surfaces contacting mixed NaCl–CaCl 2 electrolyte solutions in the …
From interfacial water to macroscopic observables: a review
A Striolo - Adsorption Science & Technology, 2011 - journals.sagepub.com
The scientific community has always been fascinated by the properties of water and,
consequently, a number of investigations continue to address this ubiquitous fluid …
consequently, a number of investigations continue to address this ubiquitous fluid …
Molecular dynamics studies of interfacial water at the alumina surface
Interfacial water properties at the alumina surface were investigated via all-atom equilibrium
molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated …
molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated …
Surface simulation studies of the hydration of white rust Fe (OH) 2, goethite α-FeO (OH) and hematite α-Fe2O3
NH de Leeuw, TG Cooper - Geochimica et Cosmochimica Acta, 2007 - Elsevier
Computer modelling techniques were used to elucidate the hydration behaviour of three iron
(hydr) oxide minerals at the atomic level: white rust, goethite and hematite. A potential model …
(hydr) oxide minerals at the atomic level: white rust, goethite and hematite. A potential model …
Effect of PCs superplasticizers on the rheological properties and hydration process of slag-blended cement pastes
The effect of polycarboxylate (PC) superplasticizers with different structure on the
rheological properties and hydration process of slag-blended cement pastes with a slag …
rheological properties and hydration process of slag-blended cement pastes with a slag …
On the protonation of oxo-and hydroxo-groups of the goethite (α-FeOOH) surface: A FTIR spectroscopic investigation of surface O–H stretching vibrations
JF Boily, AR Felmy - Geochimica et Cosmochimica Acta, 2008 - Elsevier
The O–H stretching region of goethite particles evaporated at different levels of acidity was
investigated by Attenuated Total Reflectance (ATR)-Fourier Transform InfraRed (FTIR) …
investigated by Attenuated Total Reflectance (ATR)-Fourier Transform InfraRed (FTIR) …
Quantifying the Mechanisms of Site-Specific Ion Exchange at an Inhomogeneously Charged Surface: Case of Cs+/K+ on Hydrated Muscovite Mica
N Loganathan, AG Kalinichev - The Journal of Physical Chemistry …, 2017 - ACS Publications
Adsorption and mobility of radioactive Cs+ isotopes in soil are among the most important
factors affecting the long-term environmental footprint of nuclear accidents such as …
factors affecting the long-term environmental footprint of nuclear accidents such as …
Electric Field Effects on Water and Ion Structure and Diffusion at the Orthoclase (001)–Water Interface
Understanding the electrochemical properties of mineral–water interfaces tends to rely upon
electrical double layer (EDL) models, but these models are based on the assumption that …
electrical double layer (EDL) models, but these models are based on the assumption that …
Molecular dynamics simulations of the interaction between the surfaces of polar solids and aqueous solutions
Molecular dynamics (MD) simulations were performed on the interaction of two solid
surfaces, namely the (00.1) hematite and (10.4) calcite surfaces, in contact with aqueous …
surfaces, namely the (00.1) hematite and (10.4) calcite surfaces, in contact with aqueous …