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Predicting and Rationalizing the Soret Coefficient of Binary Lennard‐Jones Mixtures in the Liquid State

Advanced theory and simulations, 2022-11, Vol.5 (11), p.n/a

2022

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Fick Diffusion Coefficient Matrix of a Quaternary Liquid Mixture by Molecular Dynamics

The journal of physical chemistry. B, 2020-06, Vol.124 (22), p.4527-4535

2020

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Diffusion in multicomponent aqueous alcoholic mixtures

Scientific reports, 2021-06, Vol.11 (1), p.12319-12319, Article 12319

2021

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Diffusion of hydrocarbons diluted in supercritical carbon dioxide

Scientific reports, 2023-09, Vol.13 (1), p.16107-16, Article 16107

2023

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Mutual diffusion in the ternary mixture of water + methanol + ethanol and its binary subsystems

Physical chemistry chemical physics : PCCP, 2013-03, Vol.15 (11), p.3985-41

2013

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Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol + cyclohexane

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (47), p.31856-31873

2017

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Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation

The Journal of chemical physics, 2011-02, Vol.134 (7), p.074508-074508-14

2011

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Thermodynamics of supercritical carbon dioxide mixtures across the Widom line

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (46), p.28257-2827

2022

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Density and Partial Molar Volumes of the Liquid Mixture Water + Methanol + Ethanol + 2‑Propanol at 298.15 K and 0.1 MPa

Journal of chemical and engineering data, 2021-06, Vol.66 (6), p.2425-2435

2021

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Sampling the Bulk Viscosity of Water with Molecular Dynamics Simulation in the Canonical Ensemble

The journal of physical chemistry. B, 2022-12, Vol.126 (48), p.10172-10184

2022

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Fick and Maxwell-Stefan diffusion of the liquid mixture cyclohexane + toluene + acetone + methanol and its subsystems

Chemical engineering science, 2025-01, Vol.301, p.120662, Article 120662

2025

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Influence of repulsion on entropy scaling and density scaling of monatomic fluids

The Journal of chemical physics, 2024-03, Vol.160 (10)

2024

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Diffusion of the carbon dioxide-ethanol mixture in the extended critical region

Physical chemistry chemical physics : PCCP, 2021-02, Vol.23 (4), p.316-3115

2021

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Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

The Journal of chemical physics, 2016-03, Vol.144 (12), p.124501-124501

2016

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Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and Their Mixture

The journal of physical chemistry. B, 2008-12, Vol.112 (51), p.16664-16674

2008

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Diffusion of methane in supercritical carbon dioxide across the Widom line

Scientific reports, 2019-06, Vol.9 (1), p.8466-8466, Article 8466

2019

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ms2: A molecular simulation tool for thermodynamic properties, release 4.0

Computer physics communications, 2021-05, Vol.262, p.107860, Article 107860

2021

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Interplay of structure and diffusion in ternary liquid mixtures of benzene + acetone + varying alcohols

The Journal of chemical physics, 2018-08, Vol.149 (6), p.064504-064504

2018

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ms2: A molecular simulation tool for thermodynamic properties, release 3.0

Computer physics communications, 2017-12, Vol.221, p.343-351

2017

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Molecular Insight into the Liquid Propan-2-ol + Water Mixture

The journal of physical chemistry. B, 2018-09, Vol.122 (37), p.8718-8729

2018

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ms2: A molecular simulation tool for thermodynamic properties, new version release

Computer physics communications, 2014-12, Vol.185 (12), p.3302-3306

2014

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The effect of alcohols as the third component on diffusion in mixtures of aromatics and ketones

RSC advances, 2018-01, Vol.8 (18), p.10017-10022

2018

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thermodynamic factor: The key to understand complex diffusion behavior in fluid mixtures

Diffusion fundamentals, 2019-10, Vol.32

2019

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Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol + cyclohexaneElectronic supplementary information (ESI) available: Includes experimental and simulation data for molar excess volume and shear viscosity, summary of thermodynamic relations, comparison of LLE and ACID calculated with five gE models, hydrogen bonding statistics and simulation snapshots, chemical potentials from Monte Carlo simulation, Darken relation from velocity correlation functi

2017-12

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ms2: A molecular simulation tool for thermodynamic properties

Computer physics communications, 2011-11, Vol.182 (11), p.2350-2367

2011

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Predicting and Rationalizing the Soret Coefficient of Binary Lennard‐Jones Mixtures in the Liquid State

Fick Diffusion Coefficient Matrix of a Quaternary Liquid Mixture by Molecular Dynamics

Diffusion in multicomponent aqueous alcoholic mixtures

Diffusion of hydrocarbons diluted in supercritical carbon dioxide

Mutual diffusion in the ternary mixture of water + methanol + ethanol and its binary subsystems

Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol + cyclohexane

Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation

Thermodynamics of supercritical carbon dioxide mixtures across the Widom line

Density and Partial Molar Volumes of the Liquid Mixture Water + Methanol + Ethanol + 2‑Propanol at 298.15 K and 0.1 MPa

Sampling the Bulk Viscosity of Water with Molecular Dynamics Simulation in the Canonical Ensemble

Fick and Maxwell-Stefan diffusion of the liquid mixture cyclohexane + toluene + acetone + methanol and its subsystems

Influence of repulsion on entropy scaling and density scaling of monatomic fluids

Diffusion of the carbon dioxide-ethanol mixture in the extended critical region

Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and Their Mixture

Diffusion of methane in supercritical carbon dioxide across the Widom line

ms2: A molecular simulation tool for thermodynamic properties, release 4.0

Interplay of structure and diffusion in ternary liquid mixtures of benzene + acetone + varying alcohols

ms2: A molecular simulation tool for thermodynamic properties, release 3.0

Molecular Insight into the Liquid Propan-2-ol + Water Mixture

ms2: A molecular simulation tool for thermodynamic properties, new version release

The effect of alcohols as the third component on diffusion in mixtures of aromatics and ketones

thermodynamic factor: The key to understand complex diffusion behavior in fluid mixtures

ms2: A molecular simulation tool for thermodynamic properties

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