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

Sengul, Mert Y; Randall, Clive A; van Duin, Adri C T.

Afiliación

Sengul MY; Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
Randall CA; Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
van Duin ACT; Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.

J Chem Phys ; 148(16): 164506, 2018 Apr 28.

Article en En | MEDLINE | ID: mdl-29716228

Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2018 Tipo del documento: Article

Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2018 Tipo del documento: Article