Molecular dynamics study of salt–solution interface: Solubility and surface charge of salt in water

Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations

(2013) Filip Moučka et al.   JOURNAL OF CHEMICAL PHYSICS

The low salinity effect observed on sandstone model surfaces

(2012) T. Hassenkam et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Solubility of NaCl in water by molecular simulation revisited

(2012) J. L. Aragones et al.   JOURNAL OF CHEMICAL PHYSICS

Characterization of wettability alteration of calcite, quartz and kaolinite: Surface energy analysis

(2011) V. Alipour Tabrizy et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Pore scale observation of low salinity effects on outcrop and oil reservoir sandstone

(2011) T. Hassenkam et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Influence of Magnesium and Sulfate Ions on Wettability Alteration of Calcite, Quartz, and Kaolinite: Surface Energy Analysis

(2011) V. Alipour Tabrizy et al.   ENERGY & FUELS

Influence of clusters on the crystal surface of NaCl at initial growth stage investigated by molecular dynamics simulations

(2011) Kazunori Kadota et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl

(2011) Filip Moučka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Initial stages of salt crystal dissolution determined with ab initio molecular dynamics

(2011) Li-Min Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

“Smart Water” as a Wettability Modifier in Chalk: The Effect of Salinity and Ionic Composition

(2010) S. Jafar Fathi et al.   ENERGY & FUELS

A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols

(2010) Andrew S. Paluch et al.   JOURNAL OF CHEMICAL PHYSICS

Self-Accumulation of Aromatics at the Oil−Water Interface through Weak Hydrogen Bonding

(2010) Makoto Kunieda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Ions on the Structure of Water: Structure Making and Breaking

(2009) Yizhak Marcus   CHEMICAL REVIEWS

Interfacial water: A first principles molecular dynamics study of a nanoscale water film on salt

(2009) Li-Min Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of the formation for NaCl cluster at the interface between the supersaturated solution and the substrate

(2009) Shinya Yamanaka et al.   JOURNAL OF NANOPARTICLE RESEARCH

Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters

(2009) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

(2008) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Density Oscillations in a Nanoscale Water Film on Salt: Insight from Ab Initio Molecular Dynamics

(2008) Limin Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY