ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures-Reference-Cited by-同舟云学术

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

Published:2018-04-28 Issue:16 Volume:148 Page:164506
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Sengul Mert Y.¹²,Randall Clive A.¹²^ORCID,van Duin Adri C. T.²³

Affiliation:

1. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

2. Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

3. Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

Funder

Advanced Research Projects Agency - Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5025932

Reference30 articles.

1. The structure of liquid acetic acid-an interpretation of neutron diffraction results by geometrical models

2. Hydrogen bond studies. XLIV. Neutron diffraction study of acetic acid

3. Hydrogen Bond Studies. 39. Reinvestigation of the Crystal Structure of Acetic Acid (at +5 degrees C and -190 degrees C).

4. Liquid Structure of Acetic Acid Studied by Raman Spectroscopy and Ab Initio Molecular Orbital Calculations

5. Liquid Structure of Acetic Acid−Water and Trifluoroacetic Acid−Water Mixtures Studied by Large-Angle X-ray Scattering and NMR

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