An improved approach for predicting the critical constants of large molecules with Gibbs Ensemble Monte Carlo simulation

2016 ◽  
Vol 425 ◽  
pp. 432-442 ◽  
Author(s):  
Richard A. Messerly ◽  
Thomas A. Knotts ◽  
Richard L. Rowley ◽  
W. Vincent Wilding
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Gibbs Ensemble ◽  
Large Molecules ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Gibbs Ensemble Monte Carlo ◽  
Critical Constants

Gibbs-ensemble Monte Carlo simulation of H2−He mixtures

2021 ◽  
Vol 103 (1) ◽  
Author(s):  
Armin Bergermann ◽  
Martin French ◽  
Manuel Schöttler ◽  
Ronald Redmer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Gibbs Ensemble ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
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.

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