Application of rough hard-sphere theory to diffusion in n-alkanes (original) (raw)

A correlation for predicting diffusion coefficients in alkanes

Can Erkey

The Canadian Journal of Chemical Engineering, 1990

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Translational-rotational coupling parameters for mutual diffusion inN-octane

Can Erkey

AIChE Journal, 1989

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Mutual diffusion coefficients for several dilute solutes in n-octacosane and the solvent density at 371-534 K

Can Erkey

Journal of Chemical & Engineering Data, 1988

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Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents

Ines Portugal

Materials

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The Darken Relation for Multicomponent Diffusion in Liquid Mixtures of Linear Alkanes: An Investigation Using Molecular Dynamics (MD) Simulations

Jasper van Baten

Industrial & Engineering Chemistry Research, 2005

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Theory and Experiment of Binary Diffusion Coefficient of n-Alkanes in Dilute Gases

Changran Liu

The journal of physical chemistry. A, 2016

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Experiments on tracer diffusion in aqueous and non-aqueous solvent combinations

Daniel Thomas Spiegel

The Journal of chemical physics, 2014

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Modelling the Diffusion Coefficients of Dilute Gaseous Solutes in Hydrocarbon Liquids

yasser aljeshi

International Journal of Thermophysics, 2021

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Mutual diffusion coefficients for two n-octane isomers in n-heptane

Sam Li

International Journal of Thermophysics, 1989

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Site-site memory equation approach in study of density/pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions: Acetonitrile in water, methanol in water, and methanol in acetonitrile

Alexander E Kobryn

The Journal of Chemical Physics, 2005

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Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures

Vagelis Harmandaris, Doros Theodorou

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Mutual diffusion coefficients of heptane isomers in nitrogen: A molecular dynamics study

Angela Violi

The Journal of Chemical Physics, 2011

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Self-diffusion coefficients of solvents in polystyrene gels

Warren Ford, Frank Blum

Journal of the American Chemical Society, 1987

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A comparison of the rough sphere rotational diffusion model with experimental results for liquid methyl iodide

Dane Jones

Chemical Physics, 1976

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Viscosity, Second pVT Virial Coefficient, and Diffusion of Binary Mixtures of Small Alkanes CH 4 , C 2 H 6 , C 3 H 8 , n -C 4 H 10 , i -C 4 H 10 , n -C 5 H 12 , i -C 5 H 12 , and C(CH 3 ) 4 Predicted by Means of an Isotropic Temperature-Dependent Potential

Uwe Hohm

Journal of Chemical & Engineering Data, 2008

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Molecular Theory for the Effects of Specific Solute−Solvent Interaction on the Diffusion of a Solute Particle in a Molecular Liquid

Sarika Bhattacharyya

Journal of Physical Chemistry B, 1998

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Molecular dynamics study of diffusion of heavy water in normal water at different temperatures

Ujjwal Dahal

Journal of Molecular Liquids

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Dynamics of n-alkanes: Comparison to Rouse model

Maurizio Mondello

1998

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On the solubility of long n-alkanes in water at room temperature

Giuseppe Graziano

Chemical Physics Letters, 2011

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A molecular dynamics study on transport properties and structure at the liquid–vapor interfaces of alkanes

Hari krishna Chilukoti

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Distinct Diffusion in Macromolecule-Solvent Mixtures

Alessandro Vergara

Macromolecular Theory and Simulations, 2005

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Relation of Tracer Diffusion Coefficient and Solvent Self-Diffusion Coefficient

Byung Eu

The Journal of Physical Chemistry A, 2002

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Case II diffusion: effect of solvent molecule size

Ronald C. Lasky

Polymer, 1990

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Transport properties of fluids using new rough hard-sphere and molecular dynamics simulation

falamarz akbari

Journal of Molecular Liquids, 2019

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Experimental tests of free-volume tracer diffusion in water and other solvents

Daniel Thomas Spiegel

The Journal of Chemical Physics, 2014

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Effective hard-sphere model of diffusion in aqueous polymer solutions

Stephen Peppin

2021

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Solubility of water in n-alkanes: New experimental measurements and molecular dynamics simulations

Eduardo Filipe

Fluid Phase Equilibria, 2019

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Quantitative Interpretation of Diffusion-Ordered NMR Spectra: Can We Rationalize Small Molecule Diffusion Coefficients

Rob Evans

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Solvation free energy of light alkanes in polar and amphiphilic environments

Sunil Pokharel

BIBECHANA, 2018

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Calculation of the chemical potentials of hard-sphere solutes solvated in hard-sphere solvents using the radial free-space distribution function

Kyoung Baeck

Chemical Physics Letters, 1999

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Surface diffusion of n-alkanes: Mechanism and anomalous behavior

Jae Hyun Park

Chemical Physics Letters, 2007

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Self-diffusion Coefficient and Structure of Binary n‑Alkane Mixtures at the Liquid−Vapor Interfaces

Hari krishna Chilukoti

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Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

Signe Kjelstrup, Jean-Marc Simon

International Journal of Thermophysics, 2013

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