Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models
出版年份 2013 全文链接
标题
Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models
作者
关键词
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出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 15, Issue 28, Pages 11679
出版商
Royal Society of Chemistry (RSC)
发表日期
2013-05-16
DOI
10.1039/c3cp50904d
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- (2013) Douglas J. Tobias et al. Annual Review of Physical Chemistry
- Six-site polarizable model of water based on the classical Drude oscillator
- (2013) Wenbo Yu et al. JOURNAL OF CHEMICAL PHYSICS
- Molecular Dynamics Simulations of the Surface Tension and Structure of Salt Solutions and Clusters
- (2012) Lu Sun et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Modeling the Pressure Dependence of Acid Gas + n-Alkane Interfacial Tensions Using Atomistic Monte Carlo Simulations.
- (2012) Jean-Claude Neyt et al. Journal of Physical Chemistry C
- Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air–Water Interface
- (2012) Marcel D. Baer et al. Journal of Physical Chemistry Letters
- Ions at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization
- (2012) Mario Vazdar et al. Journal of Physical Chemistry Letters
- Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water
- (2011) Maria M. Reif et al. JOURNAL OF CHEMICAL PHYSICS
- Surface tension of water–alcohol mixtures from Monte Carlo simulations
- (2011) F. Biscay et al. JOURNAL OF CHEMICAL PHYSICS
- A Transferable Force Field To Predict Phase Equilibria and Surface Tension of Ethers and Glycol Ethers
- (2011) Nicolas Ferrando et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Prediction of the Temperature Dependence of the Surface Tension Of SO2, N2, O2, and Ar by Monte Carlo Molecular Simulations
- (2011) Jean-Claude Neyt et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Simultaneous Application of the Gradient Theory and Monte Carlo Molecular Simulation for the Investigation of Methane/Water Interfacial Properties
- (2011) Christelle Miqueu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Prediction of the Surface Tension of the Liquid−Vapor Interface of Alcohols from Monte Carlo Simulations
- (2011) F. Biscay et al. Journal of Physical Chemistry C
- Ions at the Water–oil Interface: Interfacial Tension of Electrolyte Solutions
- (2011) Alexandre P. dos Santos et al. LANGMUIR
- A classical polarizable model for simulations of water and ice
- (2011) Linda Viererblová et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation
- (2011) A. Ghoufi et al. PHYSICAL REVIEW E
- Ion Specificity and the Theory of Stability of Colloidal Suspensions
- (2011) Alexandre P. dos Santos et al. PHYSICAL REVIEW LETTERS
- Communication: Molecular dynamics simulations of the interfacial structure of alkali metal fluoride solutions
- (2010) Haijun Feng et al. JOURNAL OF CHEMICAL PHYSICS
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- (2010) Brad A. Bauer et al. JOURNAL OF CHEMICAL PHYSICS
- Dressed counterions: Strong electrostatic coupling in the presence of salt
- (2010) Matej Kanduč et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field
- (2010) Christopher M. Baker et al. Journal of Chemical Theory and Computation
- Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field
- (2010) Haibo Yu et al. Journal of Chemical Theory and Computation
- Monte Carlo calculation of the methane-water interfacial tension at high pressures
- (2009) F. Biscay et al. JOURNAL OF CHEMICAL PHYSICS
- Calculation of the surface tension from Monte Carlo simulations: Does the model impact on the finite-size effects?
- (2009) F. Biscay et al. JOURNAL OF CHEMICAL PHYSICS
- Dependence of the liquid-vapor surface tension on the range of interaction: A test of the law of corresponding states
- (2009) Patrick Grosfils et al. JOURNAL OF CHEMICAL PHYSICS
- Incorporating Phase-Dependent Polarizability in Nonadditive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid−Vapor Interface
- (2009) Brad A. Bauer et al. Journal of Chemical Theory and Computation
- Relation between Surface Tension and Ion Adsorption at the Air−Water Interface: A Molecular Dynamics Simulation Study
- (2009) Raffaella D’Auria et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Monte Carlo Simulations of the Pressure Dependence of the Water−Acid Gas Interfacial Tensions
- (2009) F. Biscay et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Simulation of Osmotic Pressure in Concentrated Aqueous Salt Solutions
- (2009) Yun Luo et al. Journal of Physical Chemistry Letters
- Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulations using an anisotropic united atom model (AUA)
- (2009) F. Biscay et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Polarizable Ions at Interfaces
- (2009) Yan Levin PHYSICAL REVIEW LETTERS
- Surface tension of water and acid gases from Monte Carlo simulations
- (2008) A. Ghoufi et al. JOURNAL OF CHEMICAL PHYSICS
- Multiple histogram reweighting method for the surface tension calculation
- (2008) A. Ghoufi et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate Molecular Polarizabilities Based on Continuum Electrostatics
- (2008) Jean-François Truchon et al. Journal of Chemical Theory and Computation
- Surface Tensions of Linear and Branched Alkanes from Monte Carlo Simulations Using the Anisotropic United Atom Model
- (2008) F. Biscay et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Electrostatic Properties of Aqueous Salt Solution Interfaces: A Comparison of Polarizable and Nonpolarizable Ion Models
- (2008) G. Lee Warren et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Comparison of the Solvation Structure of Polarizable and Nonpolarizable Ions in Bulk Water and Near the Aqueous Liquid−Vapor Interface
- (2008) G. Lee Warren et al. Journal of Physical Chemistry C
- Calculation of the long-range interactions for interfacial properties
- (2008) Florent Goujon et al. MOLECULAR SIMULATION
- Expressions for local contributions to the surface tension from the virial route
- (2008) A. Ghoufi et al. PHYSICAL REVIEW E
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