Application of Reverse Nonequilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures-Reference-Cited by-同舟云学术

Application of Reverse Nonequilibrium Molecular Dynamics to the Calculation of the Mutual Diffusion Coefficient of Alkane Mixtures

Published:2018-09-13 Issue:39 Volume:122 Page:9210-9217
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chilukoti Hari Krishna¹^ORCID,Müller-Plathe Florian¹^ORCID,Yang Hua²

Affiliation:

1. Technische Universität Darmstadt, Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Alarich-Weiss-Strasse 8, 64287 Darmsadt, Germany

2. Key Laboratory of Inorganic−Organic Hybrid Functional Material Chemistry, Ministry of Education, College of Chemistry, Tianjin Normal University, Tianjin, 300387, China

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.8b06886

Reference38 articles.

1. The Maxwell-Stefan approach to mass transfer

2. Diffusion

3. Industrial Requirements for Thermodynamics and Transport Properties

4. Direct calculation of mutual diffusion coefficients of binary system using non-equilibrium molecular dynamics simulation

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