1
Academic Member of Azad University, Damghan Branch., Iran
2
Association Professor of Chemical Engineering ñ School of Engineering ñ University of Tehran- Iran
Abstract
In this study some properties ofthe methanol-water mixture such as diffusivity, density,viscosity, and hydrogen bonding were calculated at different temperatures andatmospheric pressure using molecular dynamics simulations (MDS). The results werecompared with the available experimental data as well as some theoretical models;overall indicating a good agreement. This shows the useful and effective application ofMDS for determination ofphysical properties.
Farhadian,N. and Shariaty-Niassar,M. (2009). Calculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation. Iranian Journal of Chemical Engineering (IJChE), 6(4), 62-72.
MLA
Farhadian,N. , and Shariaty-Niassar,M. . "Calculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation", Iranian Journal of Chemical Engineering (IJChE), 6, 4, 2009, 62-72.
HARVARD
Farhadian N., Shariaty-Niassar M. (2009). 'Calculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation', Iranian Journal of Chemical Engineering (IJChE), 6(4), pp. 62-72.
CHICAGO
N. Farhadian and M. Shariaty-Niassar, "Calculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation," Iranian Journal of Chemical Engineering (IJChE), 6 4 (2009): 62-72,
VANCOUVER
Farhadian N., Shariaty-Niassar M. Calculation of Physical Properties of the Methanol-Water Mixture Using Molecular Dynamics Simulation. IJChE, 2009; 6(4): 62-72.
