Mutual Diffusion in the Ternary Mixture of Water Plus Methanol Plus Ethanol and Its Binary Subsystems

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F13%3A00424651" target="_blank" >RIV/67985858:_____/13:00424651 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1039/c3cp43785j" target="_blank" >http://dx.doi.org/10.1039/c3cp43785j</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c3cp43785j" target="_blank" >10.1039/c3cp43785j</a>

Result language

angličtina

Original language name

Mutual Diffusion in the Ternary Mixture of Water Plus Methanol Plus Ethanol and Its Binary Subsystems

Original language description

Mutual diffusion is investigated by means of experiment and molecular simulation for liquid mixtures containing water + methanol + ethanol. The Fick diffusion coefficient is measured by Taylor dispersion as a function of composition for all three binarysubsystems under ambient conditions. For the aqueous systems, these data compare well with literature values. In the case of methanol + ethanol, experimental measurements of the Fick diffusion coefficient are presented for the first time. The Maxwell-Stefan diffusion coefficient and the thermodynamic factor are predicted for the ternary mixture as well as its binary subsystems by molecular simulation in a consistent manner. The resulting Fick diffusion coefficient is compared to present measurements andthat obtained from the classical simulation approach, which requires experimental vapor-liquid equilibrium or excess enthalpy data. Moreover, the self-diffusion coefficients and the shear viscosity are predicted by molecular dynamics and

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2013

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Volume of the periodical

15

Issue of the periodical within the volume

11

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

3985-4001

UT code for WoS article

000315165100034

EID of the result in the Scopus database

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