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Keyword

Fick diffusion coefficient

Description: This is a transport coefficient relating a species’ flux to its concentration gradient in multicomponent diffusion, used in physical chemistry and engineering.
OpenAlex ID: keywords/fick-diffusion-coefficient
Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures
2013 · Xin Liu, Sondre K. Schnell, et al. · International Journal of Thermophysics · 146
Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride
2016 · Gabriela Guevara-Carrion, Tatjana Janzen, et al. · The Journal of Chemical Physics · 109
Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations
2012 · Xin Liu, Ana Martín-Calvo, et al. · Industrial & Engineering Chemistry Research · 98
Mutual diffusion in the ternary mixture of water + methanol + ethanol and its binary subsystems
2013 · Stanislav Par̆ez, Gabriela Guevara-Carrion, et al. · Physical Chemistry Chemical Physics · 90
Developing a feed forward neural network multilayer model for prediction of binary diffusion coefficient in liquids
2012 · Reza Beigzadeh, Masoud Rahimi, et al. · Fluid Phase Equilibria · 87
Fick Diffusion Coefficients of Liquid Mixtures Directly Obtained From Equilibrium Molecular Dynamics
2011 · Xin Liu, Sondre K. Schnell, et al. · The Journal of Physical Chemistry B · 86
Molecular Simulation of Diffusion of Hydrogen, Carbon Monoxide, and Water in Heavy n-Alkanes
2011 · Zoi A. Makrodimitri, Dominik J. M. Unruh, et al. · The Journal of Physical Chemistry B · 65
Diffusion Coefficients in CO2/n-Alkane Binary Liquid Mixtures by Molecular Simulation
2008 · Damelys Zabala, Carlos Nieto-Draghi, et al. · The Journal of Physical Chemistry B · 63
Diffusion coefficients of hydrogen and deuterium in highly concentrated palladium hydride and deuteride phases
1982 · S. Majorowski, B. Baranowski · Journal of Physics and Chemistry of Solids · 60
Diffusion of methane in supercritical carbon dioxide across the Widom line
2019 · Gabriela Guevara-Carrion, Sergiy Ancherbak, et al. · Scientific Reports · 48
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Multicomponent diffusion coefficients from microfluidics using Raman microspectroscopy
2017 · Christine Peters, Ludger Wolff, et al. · Lab on a Chip · 45
Optimizing Nonbonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics
2018 · Seyed Hossein Jamali, Thijs van Westen, et al. · Journal of Chemical Theory and Computation · 41
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Mutual diffusion governed by kinetics and thermodynamics in the partially miscible mixture methanol + cyclohexane
2017 · Tatjana Janzen, Shi Zhang, et al. · Physical Chemistry Chemical Physics · 39
Transient-state method for coupled evaluation of Soret and Fick coefficients, and related tortuosity factors, using free and porous packed thermodiffusion cells: Application to CuSO4 aqueous solution ( 0.25M)
2004 · P. Costesèque, T. Pollak, et al. · The European Physical Journal E · 38
Thermal Conductivity of Hydrocarbon Liquid Organic Hydrogen Carrier Systems: Measurement and Prediction
2020 · Francisco E. Berger Bioucas, Maximilian Piszko, et al. · Journal of Chemical & Engineering Data · 30
Fick Diffusion Coefficients of the Gaseous CH4–CO2System from Molecular Dynamics Simulations Using TraPPE Force Fields at 101.325, 506.625, 1013.25, 2533.12, and 5066.25 kPa
2019 · Joseph R. Vella · Journal of Chemical & Engineering Data · 25
Do ternary liquid mixtures exhibit negative main Fick diffusion coefficients?
2019 · S. Kozlova, A. Mialdun, et al. · Physical Chemistry Chemical Physics · 25
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Monte Carlo simulations of diffusion in zeolites and comparison with the generalized Maxwell-Stefan theory
1992 · L VANDENBROEKE, S NUHUIS, et al. · Journal of Catalysis · 25
Bridging scales with thermodynamics: from nano to macro
2014 · Signe Kjelstrup, Sondre K Schnell, et al. · Advances in Natural Sciences Nanoscience and Nanotechnology · 24
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Kinetics of Adsorption ofn-butane on an Aggregate of Silicalite by Transient Non-equilibrium Molecular Dynamics
2004 · J.M. Simon, A. Decrette, et al. · Molecular Simulation · 21
Predicting diffusivities in dense fluid mixtures
1999 · C. DARIVA, L.A.F. COELHO, et al. · Brazilian Journal of Chemical Engineering · 20
Mutual and Thermal Diffusivities in Mixtures of Cyclohexane, n-Hexadecane, n-Octacosane, or n-Hexanoic Acid with Carbon Dioxide Obtained by Dynamic Light Scattering and Molecular Dynamics Simulations
2022 · Maximilian Piszko, Frances D. Lenahan, et al. · Journal of Chemical & Engineering Data · 19
Simultaneous determination of multiple transport properties over a wide range of temperatures and pressures from the analysis of non-equilibrium fluctuations by the shadowgraph method
2020 · W. Wu, J. H. Jander, et al. · The Journal of Chemical Physics · 19
Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf2] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations
2021 · Tobias Klein, Maximilian Piszko, et al. · The Journal of Physical Chemistry B · 18
Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Dissolved CH4, Ne, Kr, R143a, SF6, or R236fa Close to Infinite Dilution
2021 · Maximilian Piszko, Frances D. Lenahan, et al. · Journal of Chemical & Engineering Data · 18
Works count: 94
Citation count: 1,575
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