Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation-Reference-Cited by-同舟云学术

Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation

Published:2020-04-27 Issue:6 Volume:16 Page:3799-3806
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jamali Seyed Hossein¹^ORCID,Bardow André²³^ORCID,Vlugt Thijs J. H.¹^ORCID,Moultos Othonas A.¹^ORCID

Affiliation:

1. Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Leeghwaterstraat 39, 2628CB Delft, The Netherlands

2. Institute of Technical Thermodynamics, RWTH Aachen University, 52056 Aachen, Germany

3. Energy Process Systems Engineering, Department of Mechanical and Process Engineering, ETH Zurich, Tannenstrasse 3, 8092 Zürich, Switzerland

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00268

Reference58 articles.

1. Studies in molecular dynamics. XIV. Mass and size dependence of the binary diffusion coefficient