Computer simulation of liquid methanol ii:system size effects

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Title:	Computer simulation of liquid methanol ii:system size effects
Author:	Casulleras Ambrós, Joaquín; Guàrdia Manuel, Elvira
Other authors:	Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear; Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada
Abstract:	A series of molecular dynamics simulations of liquid methanol has been carried out on a supernode transputer array. Four system sizes from 125 to 512 molecules have been considered, in order to study the effect of system size on the calculated structural, orientational and dynamic properties. The dielectric constant and the dielectric relaxation time are compared with experimental data.
Subject(s):	-Àrees temàtiques de la UPC::Física -Molecular dynamics -Methanol -Dielectric relaxation -Molecular dynamics -methanol -system size effects -dielectric constant -dielectric relaxation time -Dinàmica molecular -Metanol -Relaxació dielèctrica
Rights:	Attribution-NonCommercial-NoDerivs 3.0 Spain http://creativecommons.org/licenses/by-nc-nd/3.0/es/
Document type:	Article - Published version Article
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