System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers
- Authors:
-
- Chemical Engineering Program, Texas A&M University at Qatar, P.O. Box 23847, Doha, Qatar
- Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, USA
- Chemical Engineering Program, Texas A&M University at Qatar, P.O. Box 23847, Doha, Qatar, Environmental Research Laboratory, National Center for Scientific Research “Demokritos,” 15310 Aghia Paraskevi Attikis, Greece
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1297262
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- The Journal of Chemical Physics
- Additional Journal Information:
- Journal Name: The Journal of Chemical Physics Journal Volume: 145 Journal Issue: 7; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Moultos, Othonas A., Zhang, Yong, Tsimpanogiannis, Ioannis N., Economou, Ioannis G., and Maginn, Edward J. System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers. United States: N. p., 2016.
Web. doi:10.1063/1.4960776.
Moultos, Othonas A., Zhang, Yong, Tsimpanogiannis, Ioannis N., Economou, Ioannis G., & Maginn, Edward J. System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers. United States. https://doi.org/10.1063/1.4960776
Moultos, Othonas A., Zhang, Yong, Tsimpanogiannis, Ioannis N., Economou, Ioannis G., and Maginn, Edward J. Wed .
"System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers". United States. https://doi.org/10.1063/1.4960776.
@article{osti_1297262,
title = {System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers},
author = {Moultos, Othonas A. and Zhang, Yong and Tsimpanogiannis, Ioannis N. and Economou, Ioannis G. and Maginn, Edward J.},
abstractNote = {},
doi = {10.1063/1.4960776},
journal = {The Journal of Chemical Physics},
number = 7,
volume = 145,
place = {United States},
year = {Wed Aug 17 00:00:00 EDT 2016},
month = {Wed Aug 17 00:00:00 EDT 2016}
}
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https://doi.org/10.1063/1.4960776
https://doi.org/10.1063/1.4960776
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Cited by: 94 works
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