Vapor-liquid phase transition in a hard-core square-well system: A molecular dynamics study of clustering and nucleation

1981 ◽  
Vol 2 (1) ◽  
pp. 31-52 ◽  
Author(s):  
W. H. Zurek ◽  
William C. Schieve
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Liquid Phase ◽  
Hard Core ◽  
Liquid Phase Transition ◽  
System A ◽  
Square Well ◽  
Vapor Liquid

scholarly journals Simulating diffusion in the conditions of vapor-liquid phase transition by the molecular dynamics method

2021 ◽  
Vol 2057 (1) ◽  
pp. 012114
Author(s):  
G V Kharlamov
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Liquid Phase ◽  
Diffusion Coefficients ◽  
Universal Function ◽  
Liquid Phase Transition ◽  
Lennard Jones ◽  
Almost All ◽  
Vapor Liquid

Abstract The molecular dynamics calculations of diffusion coefficients in binary Lennard-Jones systems have been carried out. The parameters of Lennard-Jones potentials correspond to argon and krypton atoms. The universal dependence of the reduced diffusion coefficient of krypton atoms on density for the homogeneous systems of low and middle densities is found. The deviations of the diffusion coefficients from the universal function are observed for the systems in the vapor – liquid phase transition region. The simulations have shown that almost all krypton atoms have situated inside the liquid phase of argon. Special numerical experiments have shown that the nanodroplets of argon are formed as a result of homogeneous nucleation and then the krypton atoms are captured by these droplets. This phenomenon decreases the diffusion coefficient of krypton atoms greatly.

COMPARISON BETWEEN MOLECULAR DYNAMICS AND MONTE CARLO DESCRIPTIONS OF SOLID–LIQUID PHASE-TRANSITION OF LENNARD–JONES FLUIDS

2010 ◽  
Vol 21 (03) ◽  
pp. 349-363 ◽  
Author(s):  
A. S. MARTINS ◽  
C. X. S. SEIXAS ◽  
L. B. dos SANTOS ◽  
P. R. RIOS
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Monte Carlo ◽  
Liquid Phase ◽  
Structural Evolution ◽  
Liquid Phase Transition ◽  
Monte Carlo Techniques ◽  
Lennard Jones ◽  
Liquid Transition ◽  
Solid Liquid

Molecular dynamics and Monte Carlo techniques are employed for the study of Lennard–Jones fluids near the solid–liquid transition region. Systematic comparisons between the predictions of both techniques are discussed, with particular emphasis on the structural evolution and location of the transition (melting) temperature Tm.

Novel isochoric measurement of the onset of vapor–liquid phase transition using differential scanning calorimetry

2018 ◽  
Vol 20 (41) ◽  
pp. 26241-26248 ◽  
Author(s):  
Xingdong Qiu ◽  
Sugata P. Tan ◽  
Morteza Dejam ◽  
Hertanto Adidharma
Keyword(s):  
Phase Transition ◽  
Differential Scanning Calorimetry ◽  
Liquid Phase ◽  
Dew Point ◽  
Gas Mixture ◽  
Scanning Calorimetry ◽  
Liquid Phase Transition ◽  
Dsc Method ◽  
Vapor Liquid

Dew point measurements of methane/ethane gas mixture using isochoric DSC method.

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