scholarly journals Ab initio Gibbs ensemble Monte Carlo simulations of the liquid–vapor equilibrium and the critical point of sodium

2021 ◽  
Vol 23 (1) ◽  
pp. 311-319
Author(s):  
Zhi Li ◽  
Christophe Winisdoerffer ◽  
François Soubiran ◽  
Razvan Caracas
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Electronic States ◽  
Gibbs Ensemble ◽  
Metallic System ◽  
Excited Electronic States ◽  
Ensemble Monte Carlo ◽  
Vapor Equilibrium ◽  
Gibbs Ensemble Monte Carlo

We extend the application of the ab initio Gibbs ensemble method to the metallic system by including the contribution of excited electronic states.

Gibbs-ensemble Monte Carlo simulation of H2–H2O mixtures

2021 ◽  
Author(s):  
Armin Bergermann ◽  
Martin French ◽  
Ronald Redmer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Giant Planets ◽  
Gibbs Ensemble ◽  
Miscibility Gap ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Gibbs Ensemble Monte Carlo

The miscibility gap in H2–H2O mixtures is investigated by conducting Gibbs-ensemble Monte Carlo simulations. Our results indicate that H2–H2O immiscibility regions may have a significant impact on the structure and evolution of ice giant planets.

Probing Additive Loading in the Lamellar Phase of a Nonionic Surfactant: Gibbs Ensemble Monte Carlo Simulations Using the SDK Force Field

Langmuir ◽  
2018 ◽  
Vol 34 (28) ◽  
pp. 8245-8254 ◽  
Author(s):  
Mona S. Minkara ◽  
Rebecca K. Lindsey ◽  
Robert H. Hembree ◽  
Connor L. Venteicher ◽  
Sumanth N. Jamadagni ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Force Field ◽  
Nonionic Surfactant ◽  
Lamellar Phase ◽  
Gibbs Ensemble ◽  
Ensemble Monte Carlo ◽  
Gibbs Ensemble Monte Carlo

scholarly journals Gibbs ensemble Monte Carlo simulations of multicomponent natural gas mixtures

2017 ◽  
Vol 44 (5) ◽  
pp. 377-383 ◽  
Author(s):  
M. Ramdin ◽  
S. H. Jamali ◽  
T. M. Becker ◽  
T. J. H. Vlugt
Keyword(s):  
Monte Carlo ◽  
Natural Gas ◽  
Monte Carlo Simulations ◽  
Gas Mixtures ◽  
Gibbs Ensemble ◽  
Ensemble Monte Carlo ◽  
Gibbs Ensemble Monte Carlo
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