Carbon Dioxide's Liquid-Vapor Coexistence Curve And Critical Properties as Predicted by a Simple Molecular Model
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August 1995 |
Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials
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October 2005 |
Molecular Modeling of Thermodynamic and Transport Properties for CO 2 and Aqueous Brines
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February 2017 |
Computer simulation of the liquid–solid–vapour contact angle
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January 1977 |
Conceptual aspects of line tensions
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October 2007 |
The Nanoscale Basis of CO 2 Trapping for Geologic Storage
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August 2015 |
From hydration repulsion to dry adhesion between asymmetric hydrophilic and hydrophobic surfaces
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September 2015 |
Efficient estimation of free energy differences from Monte Carlo data
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October 1976 |
Direct calculation of the crystal–melt interfacial free energies for continuous potentials: Application to the Lennard-Jones system
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January 2003 |
Wetting and contact-line effects for spherical and cylindrical droplets on graphene layers: A comparative molecular-dynamics investigation
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December 2011 |
Can Dynamic Contact Angle Be Measured Using Molecular Modeling?
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October 2012 |
The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
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October 2014 |
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
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March 1977 |
Revisiting the droplet simulation approach to derive force-field parameters for water on molybdenum disulfide from wetting angle measurements
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October 2016 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Measurement of Contact-Angle Hysteresis for Droplets on Nanopillared Surface and in the Cassie and Wenzel States: A Molecular Dynamics Simulation Study
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August 2011 |
Ewald summation for systems with slab geometry
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August 1999 |
On the cohesion of fluids and their adhesion to solids: Young's equation at the atomic scale
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July 2017 |
Molecular-dynamics study of a three-dimensional one-component model for distortive phase transitions
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February 1978 |
Application of the interface potential approach to calculate the wetting properties of a water model system
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December 2013 |
Surface Tensions in NaCl−Water−Air Systems from MD Simulations
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October 2007 |
Pressure and Temperature Dependence of Contact Angles for CO 2 /Water/Silica Systems Predicted by Molecular Dynamics Simulations
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May 2016 |
Atomistic simulations of wetting properties and water films on hydrophilic surfaces
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April 2017 |
Contact Angles of Lennard-Jones Liquids and Droplets on Planar Surfaces
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June 2007 |
Molecular Dynamics Simulations of the CO2-Water-silica Interfacial Systems
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January 2013 |
Dry-Surface Simulation Method for the Determination of the Work of Adhesion of Solid–Liquid Interfaces
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July 2015 |
Influence of Contact-Line Curvature on the Evaporation of Nanodroplets from Solid Substrates
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July 2014 |
Parametrizing Nonbonded Interactions from Wetting Experiments via the Work of Adhesion: Example of Water on Graphene Surfaces
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December 2015 |
Solid-liquid surface free energy of Lennard-Jones liquid on smooth and rough surfaces computed by molecular dynamics using the phantom-wall method
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July 2010 |
Does Young's equation hold on the nanoscale? A Monte Carlo test for the binary Lennard-Jones fluid
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October 2010 |
Young’s Equation for a Two-Liquid System on the Nanometer Scale
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March 2017 |
Molecular dynamics investigation of the crystal–fluid interface. VI. Excess surface free energies of crystal–liquid systems
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May 1986 |
Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution
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April 2014 |
Molecular Simulation of Carbon Dioxide, Brine, and Clay Mineral Interactions and Determination of Contact Angles
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January 2014 |
Interfacial Excess Free Energies of Solid-Liquid Interfaces by Molecular Dynamics Simulation and Thermodynamic Integration
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May 2009 |
Wetting of Graphene Oxide: A Molecular Dynamics Study
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March 2014 |
Calculation of interfacial properties via free-energy-based molecular simulation: The influence of system size
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June 2010 |
Contact Angle of Sessile Drops in Lennard-Jones Systems
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November 2014 |
Wetting Behavior of Water near Nonpolar Surfaces
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October 2013 |
Obtaining the solid-liquid interfacial free energy via multi-scheme thermodynamic integration: Ag-ethylene glycol interfaces
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November 2016 |
What Is the Contact Angle of Water on Graphene?
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January 2013 |
The Statistical Mechanical Theory of Surface Tension
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March 1949 |
Polymorphic transitions in single crystals: A new molecular dynamics method
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December 1981 |
CO 2 –Water–Rock Wettability: Variability, Influencing Factors, and Implications for CO 2 Geostorage
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April 2017 |
Molecular dynamics simulation of the contact angle of liquids on solid surfaces
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January 2009 |
Phase Equilibria of Water/CO 2 and Water/ n -Alkane Mixtures from Polarizable Models
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February 2017 |
Young’s Equation at the Nanoscale
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August 2013 |
Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation
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January 2008 |
A molecular dynamics study to determine the solid-liquid interfacial tension using test area simulation method (TASM)
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August 2012 |
Contact Angle, Liquid Film, and Liquid–Liquid and Liquid–Solid Interfaces in Model Oil–Brine–Substrate Systems
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May 2016 |
The missing term in effective pair potentials
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November 1987 |
Molecular Dynamics Simulation of Contact Angles of Water Droplets in Carbon Nanotubes
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December 2001 |
Molecular Dynamics Simulations of CO 2 /Water/Quartz Interfacial Properties: Impact of CO 2 Dissolution in Water
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May 2015 |