square gradient theory Latest Research Papers

SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.0c01324 ◽

2021 ◽

Vol 61 (3) ◽

pp. 1244-1250 ◽

Cited By ~ 1

Author(s):

Andrés Mejía ◽

Erich A. Müller ◽

Gustavo Chaparro Maldonado

Keyword(s):

Equation Of State ◽

Interfacial Properties ◽

Gradient Theory ◽

Square Gradient Theory

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Self-Consistent Field Theory Coupled with Square Gradient Theory of Free Surfaces of Molten Polymers and Compared to Atomistic Simulations and Experiment

Macromolecules ◽

10.1021/acs.macromol.9b00795 ◽

2019 ◽

Vol 52 (14) ◽

pp. 5337-5356 ◽

Cited By ~ 2

Author(s):

A. T. Lakkas ◽

A. P. Sgouros ◽

D. N. Theodorou

Keyword(s):

Field Theory ◽

Atomistic Simulations ◽

Gradient Theory ◽

Free Surfaces ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Molten Polymers ◽

Square Gradient Theory ◽

Self Consistent Field Theory

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Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment

Macromolecules ◽

10.1021/acs.macromol.8b01873 ◽

2018 ◽

Vol 51 (23) ◽

pp. 9798-9815 ◽

Cited By ~ 6

Author(s):

A. P. Sgouros ◽

A. T. Lakkas ◽

G. Megariotis ◽

D. N. Theodorou

Keyword(s):

Monte Carlo ◽

Brownian Dynamics ◽

Kinetic Monte Carlo ◽

Gradient Theory ◽

Free Surfaces ◽

Atomistic Calculations ◽

Square Gradient Theory ◽

Mesoscopic Simulations

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Interfacial tensions of industrial fluids from a molecular‐based square gradient theory

AIChE Journal ◽

10.1002/aic.15190 ◽

2016 ◽

Vol 62 (5) ◽

pp. 1781-1794 ◽

Cited By ~ 33

Author(s):

José Matías Garrido ◽

Andrés Mejía ◽

Manuel M. Piñeiro ◽

Felipe J. Blas ◽

Erich A. Müller

Keyword(s):

Gradient Theory ◽

Interfacial Tensions ◽

Square Gradient Theory

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Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

Fluid Phase Equilibria ◽

10.1016/j.fluid.2015.07.026 ◽

2016 ◽

Vol 407 ◽

pp. 159-176 ◽

Cited By ~ 31

Author(s):

Y.T. Florence Chow ◽

Daniel K. Eriksen ◽

Amparo Galindo ◽

Andrew J. Haslam ◽

George Jackson ◽

...

Keyword(s):

Carbon Dioxide ◽

High Pressures ◽

Gradient Theory ◽

Experimental Measurements ◽

Interfacial Tensions ◽

Square Gradient Theory

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Influence of Curvature on the Transfer Coefficients for Evaporation and Condensation of Lennard-Jones Fluid from Square-Gradient Theory and Nonequilibrium Molecular Dynamics

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b00615 ◽

2015 ◽

Vol 119 (15) ◽

pp. 8160-8173 ◽

Cited By ~ 20

Author(s):

Øivind Wilhelmsen ◽

Thuat T. Trinh ◽

Signe Kjelstrup ◽

Dick Bedeaux

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Gradient Theory ◽

Transfer Coefficients ◽

Evaporation And Condensation ◽

Lennard Jones ◽

Square Gradient Theory

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On the phase and interface behavior along the three-phase line of ternary Lennard-Jones mixtures: A collaborative approach based on square gradient theory and molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4885348 ◽

2014 ◽

Vol 141 (1) ◽

pp. 014503 ◽

Cited By ~ 12

Author(s):

José Matías Garrido ◽

Héctor Quinteros-Lama ◽

Manuel M. Piñeiro ◽

Andrés Mejía ◽

Hugo Segura

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Gradient Theory ◽

Collaborative Approach ◽

Interface Behavior ◽

Phase Line ◽

Lennard Jones ◽

Three Phase ◽

Square Gradient Theory ◽

Dynamics Simulations

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Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

The Journal of Chemical Physics ◽

10.1063/1.4860495 ◽

2014 ◽

Vol 140 (2) ◽

pp. 024704 ◽

Cited By ~ 24

Author(s):

Øivind Wilhelmsen ◽

Dick Bedeaux ◽

Signe Kjelstrup ◽

David Reguera

Keyword(s):

Thermodynamic Stability ◽

Gradient Theory ◽

Square Gradient Theory

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Non-equilibrium thermodynamics for surfaces; square gradient theory

The European Physical Journal Special Topics ◽

10.1140/epjst/e2013-01833-0 ◽

2013 ◽

Vol 222 (1) ◽

pp. 161-175 ◽

Cited By ~ 2

Author(s):

K. Glavatskiy ◽

D. Bedeaux

Keyword(s):

Gradient Theory ◽

Equilibrium Thermodynamics ◽

Square Gradient Theory ◽

Non Equilibrium

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Erratum: Short-range wetting at liquid gallium-bismuth alloy surfaces: X-ray measurements and square-gradient theory [Phys. Rev. B68, 085409 (2003)]

Physical Review B ◽

10.1103/physrevb.79.249904 ◽

2009 ◽

Vol 79 (24) ◽

Author(s):

Patrick Huber ◽

Oleg Shpyrko ◽

Peter S. Pershan ◽

Ben Ocko ◽

Elaine DiMasi ◽

...

Keyword(s):

Short Range ◽

Liquid Gallium ◽

Gradient Theory ◽

X Ray ◽

Square Gradient Theory ◽

Bismuth Alloy

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square gradient theory
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State

Self-Consistent Field Theory Coupled with Square Gradient Theory of Free Surfaces of Molten Polymers and Compared to Atomistic Simulations and Experiment

Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment

Interfacial tensions of industrial fluids from a molecular‐based square gradient theory

Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

Influence of Curvature on the Transfer Coefficients for Evaporation and Condensation of Lennard-Jones Fluid from Square-Gradient Theory and Nonequilibrium Molecular Dynamics

On the phase and interface behavior along the three-phase line of ternary Lennard-Jones mixtures: A collaborative approach based on square gradient theory and molecular dynamics simulations

Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

Non-equilibrium thermodynamics for surfaces; square gradient theory

Erratum: Short-range wetting at liquid gallium-bismuth alloy surfaces: X-ray measurements and square-gradient theory [Phys. Rev. B68, 085409 (2003)]

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square gradient theoryRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State

Self-Consistent Field Theory Coupled with Square Gradient Theory of Free Surfaces of Molten Polymers and Compared to Atomistic Simulations and Experiment

Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment

Interfacial tensions of industrial fluids from a molecular‐based square gradient theory

Interfacial tensions of systems comprising water, carbon dioxide and diluent gases at high pressures: Experimental measurements and modelling with SAFT-VR Mie and square-gradient theory

Influence of Curvature on the Transfer Coefficients for Evaporation and Condensation of Lennard-Jones Fluid from Square-Gradient Theory and Nonequilibrium Molecular Dynamics

On the phase and interface behavior along the three-phase line of ternary Lennard-Jones mixtures: A collaborative approach based on square gradient theory and molecular dynamics simulations

Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

Non-equilibrium thermodynamics for surfaces; square gradient theory

Erratum: Short-range wetting at liquid gallium-bismuth alloy surfaces: X-ray measurements and square-gradient theory [Phys. Rev. B68, 085409 (2003)]

square gradient theory
Recently Published Documents