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Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Journal of physical chemistry. C, 2018-11, Vol.122 (43), p.24705-24715

2018

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Hydrophobic and hydrophilic interactions in aqueous mixtures of alcohols at a hydrophobic surface

The Journal of chemical physics, 2013-09, Vol.139 (11), p.114706-114706

2013

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Predicting solubility and swelling ratio of blowing agents in rubbery polymers using PC-SAFT Equation of State

Chemical engineering science, 2018-06, Vol.183, p.306-328

2018

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Dynamic self-stiffening in liquid crystal elastomers

Nature communications, 2013-04, Vol.4 (1), p.1739-1739, Article 1739

2013

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Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory

Langmuir, 2019-06, Vol.35 (24), p.8144-8158

2019

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Recent advances in classical density functional theory for associating and polyatomic molecules

Fluid phase equilibria, 2011-07, Vol.306 (1), p.15-30

2011

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Application of low field NMR T2 measurements to clathrate hydrates

Journal of magnetic resonance (1997), 2009-04, Vol.197 (2), p.208-212

2009

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Microstructure and thermodynamics of inhomogeneous polymer blends and solutions

Physical review letters, 2005-03, Vol.94 (8), p.087801.1-087801.4, Article 087801

2005

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Vapor–hydrate two-phase and vapor–liquid–hydrate three-phase equilibrium calculation of THF/CH4/N2 hydrates

Fluid phase equilibria, 2015-09, Vol.401, p.70-76

2015

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Thermodynamic Modeling of the Equilibrium Partitioning of Hydrocarbons in Nanoporous Kerogen Particles

Energy & fuels, 2019-02, Vol.33 (2), p.891-904

2019

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Surface complexation modeling of calcite zeta potential measurements in brines with mixed potential determining ions (Ca2+, CO32−, Mg2+, SO42−) for characterizing carbonate wettability

Journal of colloid and interface science, 2017-11, Vol.506, p.169-179

2017

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A Classical Density Functional Theory Study of the Neat n‑Alkane/Water Interface

Journal of physical chemistry. C, 2012-08, Vol.116 (33), p.17641-17649

2012

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Adsorption and Phase Behavior of Pure/Mixed Alkanes in Nanoslit Graphite Pores: An iSAFT Application

Langmuir, 2017-10, Vol.33 (42), p.11189-11202

2017

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Phase behavior and percolation in mixed patchy colloids

The Journal of chemical physics, 2021-04, Vol.154 (13), p.134901-134901

2021

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Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework

The Journal of chemical physics, 2019-05, Vol.150 (17), p.174503-174503

2019

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Effect of Bond Rigidity and Molecular Structure on the Self-Assembly of Amphiphilic Molecules Using Second-Order Classical Density Functional Theory

The journal of physical chemistry. B, 2012-03, Vol.116 (9), p.2730-2738

2012

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Modeling Lower Critical Solution Temperature Behavior of Associating Dendrimers Using Density Functional Theory

Langmuir, 2019-08, Vol.35 (33), p.10808-10817

2019

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Activity Coefficients from an Equation of State: Novel Approach for Fast Phase Equilibrium Calculations

Industrial & engineering chemistry research, 2021-12, Vol.60 (48), p.17733-17744

2021

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NMR/MRI Study of Clathrate Hydrate Mechanisms

The journal of physical chemistry. B, 2005-10, Vol.109 (41), p.19090-19093

2005

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Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water

Journal of magnetic resonance (1997), 2017-04, Vol.277 (C), p.15-24

2017

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Dissipative particle dynamics (DPD) study of the interfacial tension for alkane/water systems by using COSMO-RS to calculate interaction parameters

Journal of molecular liquids, 2017-11, Vol.246, p.131-139

2017

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Block copolymer self-assembly: Melt and solution by molecular density functional theory

The Journal of chemical physics, 2022-02, Vol.156 (5), p.054902-054902

2022

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Bulk and Interfacial Properties of Polymers from Interfacial SAFT Density Functional Theory

Industrial & engineering chemistry research, 2006-09, Vol.45 (20), p.6785-6792

2006

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Effect of Surfactant Headgroup, Salts, and Temperature on Interfacial Properties: Dissipative Particle Dynamics and Experiment for the Water/Octane/Surfactant System

Energy & fuels, 2019-07, Vol.33 (7), p.6678-6688

2019

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Modified interfacial statistical associating fluid theory: A perturbation density functional theory for inhomogeneous complex fluids

The Journal of chemical physics, 2007-12, Vol.127 (24), p.244904-244904-12

2007

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Vapor−Liquid Interface of the Lennard-Jones Truncated and Shifted Fluid: Comparison of Molecular Simulation, Density Gradient Theory, and Density Functional Theory

Hydrophobic and hydrophilic interactions in aqueous mixtures of alcohols at a hydrophobic surface

Predicting solubility and swelling ratio of blowing agents in rubbery polymers using PC-SAFT Equation of State

Dynamic self-stiffening in liquid crystal elastomers

Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory

Recent advances in classical density functional theory for associating and polyatomic molecules

Application of low field NMR T2 measurements to clathrate hydrates

Microstructure and thermodynamics of inhomogeneous polymer blends and solutions

Vapor–hydrate two-phase and vapor–liquid–hydrate three-phase equilibrium calculation of THF/CH4/N2 hydrates

Thermodynamic Modeling of the Equilibrium Partitioning of Hydrocarbons in Nanoporous Kerogen Particles

Surface complexation modeling of calcite zeta potential measurements in brines with mixed potential determining ions (Ca2+, CO32−, Mg2+, SO42−) for characterizing carbonate wettability

A Classical Density Functional Theory Study of the Neat n‑Alkane/Water Interface

Adsorption and Phase Behavior of Pure/Mixed Alkanes in Nanoslit Graphite Pores: An iSAFT Application

Phase behavior and percolation in mixed patchy colloids

Bond cooperativity and ring formation in hydrogen fluoride thermodynamic properties: A two-density formalism framework

Effect of Bond Rigidity and Molecular Structure on the Self-Assembly of Amphiphilic Molecules Using Second-Order Classical Density Functional Theory

Modeling Lower Critical Solution Temperature Behavior of Associating Dendrimers Using Density Functional Theory

Activity Coefficients from an Equation of State: Novel Approach for Fast Phase Equilibrium Calculations

NMR/MRI Study of Clathrate Hydrate Mechanisms

Molecular dynamics simulations of NMR relaxation and diffusion of bulk hydrocarbons and water

Dissipative particle dynamics (DPD) study of the interfacial tension for alkane/water systems by using COSMO-RS to calculate interaction parameters

Block copolymer self-assembly: Melt and solution by molecular density functional theory

Bulk and Interfacial Properties of Polymers from Interfacial SAFT Density Functional Theory

Effect of Surfactant Headgroup, Salts, and Temperature on Interfacial Properties: Dissipative Particle Dynamics and Experiment for the Water/Octane/Surfactant System

Modified interfacial statistical associating fluid theory: A perturbation density functional theory for inhomogeneous complex fluids

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