شماره ركورد كنفرانس :
4518
عنوان مقاله :
Investigation of binary mixture phase equilibrium by molecular dynamic simulation
Author/Authors :
Maryam Mousazadegan Thermodynamics Research Laboratory, School of Chemical Engineering, Iran University of Science and Technology, Tehran، Iran , Farzaneh Feyzi Thermodynamics Research Laboratory, School of Chemical Engineering, Iran University of Science and Technology, Tehran، Iran
كليدواژه :
Molecular Dynamic simulation , Reaction molecular dynamic , Binary mixture , Phase equlibrium , United atom model
عنوان كنفرانس :
The 7th International Chemical Engineering Congress & Exhibition (IChEC 2011
چكيده لاتين :
Molecular Dynamic simulation using NERD force field was used for simulation of vapor–liquid coexisting properties of methane–ethane and ethane–ethene binary mixtures at different temperatures. The NERD force field yields accurate P-x-y vapor–liquid compositions and density profiles for these mixtures. The simulation results are in good agreement with the well-known Peng-Robinson Equation of State and Reaction Molecular Dynamic (RMD) method.
