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Title: ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures

Authors:
 [1] ; ORCiD logo [1] ;  [2]
  1. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA, Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
  2. Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA, Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
Publication Date:
Grant/Contract Number:
AR0000766
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1435001

Sengul, Mert Y., Randall, Clive A., and van Duin, Adri C. T.. ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures. United States: N. p., Web. doi:10.1063/1.5025932.
Sengul, Mert Y., Randall, Clive A., & van Duin, Adri C. T.. ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures. United States. doi:10.1063/1.5025932.
Sengul, Mert Y., Randall, Clive A., and van Duin, Adri C. T.. 2018. "ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures". United States. doi:10.1063/1.5025932.
@article{osti_1435001,
title = {ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures},
author = {Sengul, Mert Y. and Randall, Clive A. and van Duin, Adri C. T.},
abstractNote = {},
doi = {10.1063/1.5025932},
journal = {Journal of Chemical Physics},
number = 16,
volume = 148,
place = {United States},
year = {2018},
month = {4}
}