Determination of surface tension in binary mixtures using transition-matrix Monte Carlo.

No abstract is available for this paper.

• Publication year

  2006

• Venue

  Journal of Chemical Physics

• Publication date

  2006-01-12

• Fields of study

  Medicine, Physics, Chemistry

• Identifiers
  DOI 10.1063/1.2159472PMID 16422640
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Determination of Henry's law constants through transition matrix Monte Carlo simulation

  2005cited by this paper
• Computational characterization of the sequence landscape in simple protein alphabets

  2005cited by this paper
• Direct evaluation of multicomponent phase equilibria using flat-histogram methods.

  2005cited by this paper
• Determination of fluid-phase behavior using transition-matrix Monte Carlo: binary Lennard-Jones mixtures.

  2005cited by this paper
• Isotropic-nematic interfacial tension of hard and soft rods: application of advanced grand canonical biased-sampling techniques.

  2005cited by this paper
• Prewetting boundary tensions from Monte Carlo simulation.

  2005cited by this paper
• Molecular dynamics study of the surface tension of a binary immiscible fluid.

  2004cited by this paper
• Solid-liquid phase coexistence of the Lennard-Jones system through phase-switch Monte Carlo simulation.

  2004cited by this paper
• Metastability and instability in the Lennard-Jones fluid investigated by transition-matrix Monte Carlo

  2004cited by this paper
• Critical phenomena in colloid-polymer mixtures: interfacial tension, order parameter, susceptibility, and coexistence diameter.

  2004cited by this paper
• Some issues on the calculation of interfacial properties by molecular simulation.

  2004cited by this paper
• Prewetting transitions for a model argon on solid carbon dioxide system.

  2004cited by this paper
• Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface.

  2004cited by this paper
• Molecular simulation study of effect of molecular association on vapor-liquid interfacial properties.

  2004cited by this paper
• Simulation of phase equilibria and interfacial properties of binary mixtures on the liquid-vapour interface using lattice sums

  2003cited by this paper
• Surface tension and vapor-liquid phase coexistence of the square-well fluid

  2003cited by this paper
• An improved Monte Carlo method for direct calculation of the density of states

  2003cited by this paper
• Direct calculation of liquid–vapor phase equilibria from transition matrix Monte Carlo simulation

  2003cited by this paper
• Fast calculation of the density of states of a fluid by Monte Carlo simulations.

  2003cited by this paper
• Calculation of interfacial tension from density of states

  2003cited by this paper
• Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: coexistence line, critical behavior, and interfacial tension.

  2003cited by this paper
• Computational Strategies for Mapping Equilibrium Phase Diagrams

  2002cited by this paper
• Accelerating Monte Carlo Sampling

  2002cited by this paper
• Thermodynamic and transport properties of simple fluids using lattice sums: bulk phases and liquid-vapour interface

  2002cited by this paper
• Simulating vapor–liquid nucleation of n-alkanes

  2002cited by this paper
• Evaluating surface tension using grand-canonical transition-matrix Monte Carlo simulation and finite-size scaling.

  2002cited by this paper
• Determining the density of states for classical statistical models: a random walk algorithm to produce a flat histogram.

  2001cited by this paper
• Aggregation-volume-bias Monte Carlo simulations of vapor-liquid nucleation barriers for Lennard-Jonesium

  2001cited by this paper
• Understanding Molecular Simulation

  2001cited by this paper
• Computer Simulation of Profiles of Interfaces Between Coexisting Phases

  2000cited by this paper
• Surface tension of the three-dimensional Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations

  2000cited by this paper
• Efficient, multiple-range random walk algorithm to calculate the density of states.

  2000cited by this paper
• Monte Carlo Transition Dynamics and Variance Reduction

  2000cited by this paper
• Molecular dynamics simulation of the liquid–vapor interface: Binary mixtures of Lennard-Jones fluids

  1999cited by this paper
• Computer simulations of liquid/vapor interface in Lennard-Jones fluids: Some questions and answers

  1999cited by this paper
• Canonical transition probabilities for adaptive Metropolis simulation

  1999cited by this paper
• Transition Matrix Monte Carlo Method

  1998cited by this paper
• TRANSITION MATRIX MONTE CARLO REWEIGHTING AND DYNAMICS

  1998cited by this paper
• Long range corrections to mixture properties of inhomogeneous systems

  1998cited by this paper
• Molecular dynamics simulation of the liquid–vapor interface: The Lennard-Jones fluid

  1997cited by this paper
• Tail corrections to the surface tension of a Lennard-Jones liquid-vapour interface

  1995cited by this paper
• Vapour liquid equilibria of mixtures from the NpT plus test particle method

  1995cited by this paper
• Area dependence of the surface tension of a Lennard‐Jones fluid from molecular dynamics simulations

  1995cited by this paper
• Finite‐size scaling behavior of the free energy barrier between coexisting phases: Determination of the critical temperature and interfacial tension of the Lennard‐Jones fluid

  1995cited by this paper
• A study of the multi-canonical Monte Carlo method

  1995cited by this paper
• Coexistence diagrams of mixtures by molecular simulation

  1994cited by this paper
• Surface tension and atomic interactions in simple liquids

  1993cited by this paper
• A critical study of the simulation of the liquid-vapour interface of a Lennard-Jones fluid

  1993cited by this paper
• Multicanonical ensemble: A new approach to simulate first-order phase transitions.

  1992cited by this paper
• Monte Carlo simulation of multicomponent equilibria in a semigrand canonical ensemble

  1988cited by this paper
• Surface tension of argon + krypton from 120 to 200 K

  1988cited by this paper
• Phase equilibria by simulation in the Gibbs ensemble

  1988cited by this paper
• New Monte Carlo technique for studying phase transitions.

  1988cited by this paper
• Computer Simulation of Liquids

  1988cited by this paper
• The vapour-liquid interface for a Lennard-Jones model of argon-krypton mixtures

  1984cited by this paper
• Monte Carlo calculation of the surface tension for two- and three-dimensional lattice-gas models

  1982cited by this paper
• A new Monte Carlo method for calculating surface tension

  1976cited by this paper
• Surface structure and surface tension: perturbation theory and Monte Carlo calculation

  1974cited by this paper
• Excess Gibbs Energy of Argon‐Methane Liquid Mixtures at 115.77°K

  1972cited by this paper

• Development of SAFT-Based Coarse-Grained Models of Carbon Dioxide and Nitrogen

  2025cites this paper
• Phase Equilibria of CO2 and n-Alkanes in Bulk and Confined Space Using Parallelized Wang–Landau Transition-Matrix Monte Carlo Simulations

  2025cites this paper
• Grain-boundary-dependent segregation and phase separation in ceria-zirconia from atomistic simulation

  2024cites this paper
• Interfacial properties of square-well chains from molecular dynamics simulation

  2023cites this paper
• Improving Computational Assessment of Porous Materials for Water Adsorption Applications via Flat Histogram Methods

  2021cites this paper
• Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights

  2021cites this paper
• Flat-histogram extrapolation as a useful tool in the age of big data

  2020cites this paper
• Study of fluid phase equilibria of triangle-well mixtures in bulk and under confinement using grand canonical transition matrix Monte Carlo

  2018cites this paper
• Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation.

  2017cites this paper
• Phase Equilibria and Critical Point Predictions of Mixtures of Molecular Fluids Using Grand Canonical Transition Matrix Monte Carlo

  2017cites this paper
• Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface.

  2016cites this paper
• Interfacial properties of binary mixtures of square-well molecules from Monte Carlo simulation.

  2016cites this paper
• Prediction of fluid-phase behavior of symmetrical binary Yukawa fluids using transition matrix Monte Carlo

  2016cites this paper
• Relation between pore size and the compressibility of a confined fluid.

  2015cites this paper
• Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods.

  2014cites this paper
• Use of the Grand Canonical Transition-Matrix Monte Carlo Method to Model Gas Adsorption in Porous Materials

  2013cites this paper
• Monte Carlo simulation strategies to compute interfacial and bulk properties of binary fluid mixtures.

  2013cites this paper
• Study of integral equation theory and human beta defensin 28.

  2012cites this paper
• Structure and dynamics of fluids : from molecular to colloidal perspectives

  2011cites this paper
• Calculation of interfacial properties via free-energy-based molecular simulation: The influence of system size.

  2010cites this paper
• Calculation of bridge function coefficients via modified Mayer-samplings

  2009cites this paper
• Miscibility of In x Ga1−x As alloys: a study using atomistic simulations

  2009cites this paper
• Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: mixtures and soft particles.

  2009cites this paper
• Insights into crowding effects on protein stability from a coarse-grained model.

  2009cites this paper
• Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects?

  2009cites this paper
• Multiple histogram reweighting method for the surface tension calculation.

  2008cites this paper
• Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation.

  2008cites this paper
• Surface tensions of linear and branched alkanes from Monte Carlo simulations using the anisotropic united atom model.

  2008cites this paper
• Comparative study of the effect of tail corrections on surface tension determined by molecular simulation.

  2007cites this paper
• Examining the accuracy of ideal adsorbed solution theory without curve-fitting using transition matrix Monte Carlo simulations.

  2007cites this paper
• Confinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures.

  2007cites this paper
• Calculation of surface tension via area sampling.

  2007cites this paper