scholarly journals Prediction of the bubble point pressure for the binary mixture of ethanol and 1,1,1,2,3,3,3-heptafluoropropane from Gibbs ensemble Monte Carlo simulations using the TraPPE force field

2007 ◽  
Vol 260 (2) ◽  
pp. 199-211 ◽  
Author(s):  
Neeraj Rai ◽  
Jake L. Rafferty ◽  
Amitesh Maiti ◽  
J. Ilja Siepmann
Keyword(s):  
Monte Carlo ◽  
Binary Mixture ◽  
Monte Carlo Simulations ◽  
Force Field ◽  
Gibbs Ensemble ◽  
Bubble Point ◽  
Ensemble Monte Carlo ◽  
Bubble Point Pressure ◽  
Gibbs Ensemble Monte Carlo ◽  
Point Pressure

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

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.

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.

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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